#DEFINITION	Reference Metabolome for Bombax ceiba
#IDENTTFIER	RefMeta-Bombax ceiba.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Bombax ceiba
#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 Bombax ceiba 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	10.2
71.29031	0.5
72.99185	0.7
73.02833	1.5
75.00744	0.3
77.95938	0.3
81.03344	0.3
83.01276	1.2
83.04915	0.5
85.02827	2.7
87.00753	1.9
88.43629	0.2
89.02321	9.5
94.64020	0.2
94.95525	0.2
95.01258	0.7
95.04919	0.6
97.02848	1.6
97.06470	1.4
98.19733	0.2
99.00782	0.9
99.04420	0.4
101.02322	7.8
106.04144	0.3
106.54861	0.3
109.06480	0.5
113.02336	4.3
113.09609	2.0
115.07538	1.2
119.03407	2.7
123.00752	0.5
123.04438	0.3
123.08073	0.3
124.05213	0.4
125.02339	2.3
125.09632	0.3
126.06779	0.3
131.03409	0.4
137.09573	0.3
137.82980	0.3
139.11192	0.8
141.01799	0.7
141.09120	1.1
143.03372	1.2
149.04449	0.4
151.11203	0.5
153.12683	0.3
161.04442	1.8
163.11166	0.6
165.12752	2.9
167.10611	0.8
167.14288	1.6
169.12234	0.3
179.05518	3.5
179.10675	0.3
181.12283	3.1
183.13776	0.9
184.75319	0.3
185.04442	0.3
193.12283	1.4
193.15997	0.8
195.13808	2.6
197.11726	0.6
209.11723	0.6
211.13358	2.7
213.15022	0.7
221.06659	1.3
221.15425	2.2
229.14464	0.4
235.08224	2.1
239.12881	0.6
240.13683	0.9
241.14359	0.6
242.15247	0.4
245.19009	0.6
247.20654	4.6
248.21173	0.3
253.09021	0.3
255.16092	0.7
263.07712	0.4
263.20102	0.7
265.21674	0.8
273.18567	3.5
281.21097	1.6
287.07654	0.4
289.18088	0.5
291.19666	36.2
292.20010	2.8
293.21130	0.5
305.08704	0.4
307.19098	1.6
309.20706	100.0
310.21057	8.2
311.22296	2.2
323.09729	0.5
333.20767	0.3
345.24341	0.3
351.21701	0.3
363.25363	0.6
379.12341	0.8
397.13489	14.0
398.13757	1.0
415.14578	5.7
463.41330	0.4
504.83603	0.3
583.39801	0.4
689.33807	6.8
690.34381	0.9
705.33276	0.4
707.34991	15.9
708.35492	2.9
857.45532	1.1
930.48639	1.9
931.49579	0.4
963.53271	0.8
981.54816	2.1
982.54474	0.9
999.55206	9.9
1000.55365	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	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	9.3
72.99191	0.5
73.02821	1.3
75.00763	0.2
80.02573	0.2
80.32507	0.1
81.03353	0.5
83.01278	1.0
83.04916	0.6
85.02826	2.0
86.50686	0.2
87.00752	2.2
89.02319	8.3
93.03342	0.2
95.01237	0.8
95.04914	0.4
95.47504	0.1
97.02831	2.4
97.06484	0.8
99.00779	0.7
101.02329	6.6
109.06458	0.4
111.00812	0.2
111.04394	0.2
111.06516	0.2
111.08039	3.6
113.02330	3.4
113.09618	0.6
115.07555	0.3
119.03389	2.0
121.02800	0.2
121.06458	0.2
123.04462	0.3
123.08042	0.3
125.02333	2.1
125.05998	0.2
125.09602	0.6
127.07564	0.4
128.90421	0.2
131.03455	0.4
135.08131	0.2
137.09592	0.3
139.11165	0.3
141.01857	0.5
141.09100	0.4
141.12726	0.3
143.03404	1.2
149.04449	0.3
151.11220	0.7
153.12785	0.6
161.04462	1.6
163.11206	1.0
165.09151	0.2
165.12769	2.6
166.13036	0.2
167.10667	0.5
167.14340	0.8
169.12256	1.8
171.10178	0.7
175.11238	0.3
177.12794	0.2
179.05522	2.9
179.06989	0.2
179.10754	0.3
179.14349	0.5
181.12285	1.9
183.13860	0.7
185.11775	0.3
189.12720	0.2
190.10875	0.1
193.12300	0.8
193.15935	0.8
195.13843	0.6
197.11763	19.1
198.12177	0.9
199.13318	1.2
207.10130	0.2
209.11769	0.8
211.13345	3.7
212.13675	0.3
217.15952	0.3
221.06595	1.0
221.11903	0.3
221.15450	0.6
223.13411	0.7
225.14888	0.2
227.12947	0.9
229.14491	0.2
229.19647	0.3
235.08154	1.8
240.13464	0.2
247.20639	3.3
248.20885	0.2
253.09319	0.6
263.07788	0.4
263.20132	1.7
265.18011	0.6
273.18576	1.7
281.21265	0.6
287.07751	0.5
289.18170	0.4
291.19662	33.2
292.19995	3.1
293.21179	0.5
305.08780	0.5
306.07687	0.2
307.19284	0.3
309.20697	100.0
310.21048	8.4
311.21982	0.8
323.09961	0.6
325.20441	0.2
327.21918	0.2
333.20749	0.4
351.21661	0.3
379.12476	0.9
390.17087	0.2
397.13480	17.4
398.13852	1.1
415.14548	9.8
416.15005	0.4
429.29999	0.2
595.26074	0.2
601.41003	1.0
689.33978	3.2
690.34131	0.8
707.34949	6.4
708.35199	1.3
930.48151	0.2
981.53613	0.7
982.53290	0.2
999.55457	2.8
1000.55481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	9.8
71.09721	0.5
72.99187	0.7
73.02822	1.2
81.03330	0.5
83.01252	1.2
83.04884	0.5
84.64760	0.2
85.02830	2.9
87.00748	2.1
89.01749	0.4
89.02316	8.5
95.01260	0.7
95.04922	0.4
97.02824	2.2
97.06469	0.7
99.00755	0.7
101.02319	7.6
109.06449	0.4
111.04414	0.3
111.08038	4.9
113.02330	3.9
113.09589	0.8
114.64899	0.2
115.07507	0.6
119.03388	2.3
125.02341	2.2
125.09586	0.6
127.07515	0.6
131.03369	0.4
137.09621	0.7
139.11153	0.3
141.01865	0.5
141.09100	0.7
143.03363	1.4
149.04451	0.3
151.11153	0.3
153.12758	0.7
155.10686	0.3
161.04489	1.8
163.11208	0.8
165.12726	2.2
167.10757	0.3
167.14258	1.2
169.12277	1.8
171.10181	0.8
177.08968	0.3
179.05548	2.7
179.10690	0.4
179.14325	0.3
181.12283	2.2
183.13828	0.8
193.12318	1.0
193.15924	0.6
195.13779	1.2
197.11763	21.7
198.12096	0.9
199.13351	1.3
209.11778	0.6
211.13318	4.4
212.13676	0.3
213.14867	0.4
221.06659	1.3
221.15404	1.1
223.13358	0.4
227.12791	1.2
235.08163	1.7
240.13489	0.5
245.19212	0.3
247.20616	2.6
253.09358	0.6
263.20163	1.6
265.18015	0.6
273.18552	2.2
281.21155	0.9
287.07822	0.4
291.19659	27.6
292.20001	2.5
293.21286	0.5
301.08966	0.3
305.08817	0.7
307.19131	0.4
309.20703	100.0
310.21063	8.6
311.22073	1.2
323.09909	0.7
333.20709	0.5
345.55466	0.3
351.21805	0.5
379.12338	1.0
397.13480	17.9
398.13904	1.6
415.14578	9.0
416.14868	0.4
435.69708	0.3
513.27063	0.3
601.41125	0.7
689.33850	5.2
690.34692	0.8
707.34894	11.4
708.35321	2.2
930.48151	0.3
999.55206	6.6
1000.55853	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	997.575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03290	1.3
71.01256	15.7
71.31311	0.8
72.99198	1.8
73.02821	2.4
83.01231	1.7
83.04839	0.5
85.02830	4.5
85.99944	0.4
87.00758	3.6
89.02322	12.9
93.03270	0.5
95.01223	1.3
96.95876	0.6
97.02816	2.2
97.06438	0.6
99.00700	1.2
101.01732	0.7
101.02330	11.4
101.16824	0.3
111.00764	4.1
111.08004	0.9
113.02327	6.1
116.92715	0.4
119.03402	3.0
125.01588	0.3
125.02338	4.1
125.09563	1.2
129.72655	0.4
131.03320	0.7
143.03331	1.8
161.04478	3.7
163.11165	0.6
165.12767	2.3
177.12721	0.8
179.05519	4.1
179.14330	0.8
181.12204	0.5
183.13873	0.6
191.14328	0.7
193.12253	0.6
195.13852	7.0
196.14375	0.6
205.12186	0.8
209.11778	0.6
211.13324	0.5
217.15891	0.9
219.35648	0.4
221.06529	2.0
223.13353	5.5
224.13885	0.7
228.13641	1.1
232.38289	0.4
235.08205	4.7
247.20650	1.4
249.22240	0.4
253.09276	1.2
256.13211	0.9
263.07684	0.5
265.21771	0.7
273.18594	1.5
275.20163	5.0
276.20404	0.5
285.95584	0.4
287.07697	1.2
291.19675	30.2
292.19943	2.5
293.21231	100.0
294.21579	9.6
295.22726	0.4
305.08829	1.4
307.18936	0.6
308.19919	1.4
309.20715	1.2
323.09705	1.2
323.22287	59.1
324.22650	4.7
379.12421	2.9
397.13525	33.3
398.13913	2.4
415.14560	13.6
442.64017	0.5
576.42078	0.5
599.43579	0.4
623.67249	0.4
636.26013	0.5
648.77307	0.4
673.34406	0.9
689.34033	0.8
691.35675	1.5
703.34985	2.0
704.36578	0.5
721.36603	5.6
722.37115	1.2
997.57001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.6
71.01257	28.1
71.04904	1.2
72.01575	1.0
72.99189	3.6
73.02816	4.2
75.00704	0.7
78.95768	1.5
81.03320	2.3
83.01262	4.6
83.04884	2.4
85.02831	7.4
86.55431	0.7
87.00758	8.2
89.02316	22.0
93.03344	1.2
95.01244	2.8
95.04904	2.9
96.95883	1.2
97.02836	6.8
97.06466	4.1
98.19781	2.3
99.00749	2.6
99.04361	1.0
101.02328	18.7
106.04178	0.9
106.75990	0.6
107.04934	1.2
109.02840	1.3
109.06478	2.6
111.00803	1.0
111.04417	1.0
111.08067	4.7
112.98720	1.3
113.02331	10.6
113.05918	0.8
113.09618	1.2
115.00266	1.7
115.07598	0.9
118.94566	0.6
119.03389	6.1
121.02869	0.8
121.06480	1.2
123.00786	0.7
123.04427	2.0
123.08051	2.2
123.25459	0.6
125.02341	7.7
125.05967	0.9
125.09621	5.6
127.07490	0.9
129.01836	0.9
131.03419	1.4
133.84242	0.7
134.67152	0.6
135.08026	0.9
137.09644	3.6
139.11169	0.8
141.01747	0.9
141.09090	1.4
141.12682	0.9
142.99794	1.6
143.03401	3.9
147.22493	0.7
149.05954	0.8
151.07527	1.5
151.11197	1.8
152.99496	1.3
153.09140	0.9
153.12732	1.0
161.04480	4.3
163.11203	6.3
165.12752	5.0
167.10686	0.9
167.14340	1.5
169.12231	2.4
171.10204	3.0
174.01625	4.2
175.02377	2.8
175.11127	0.7
177.12700	2.0
179.05539	6.7
179.10710	1.3
181.12254	3.5
183.13818	0.9
185.11754	5.4
191.10797	1.3
191.14333	5.0
192.14799	0.7
193.12244	1.9
193.15860	0.8
195.13835	2.6
197.11777	16.7
199.13278	1.7
203.10536	0.8
205.12228	1.1
207.10220	2.9
207.13838	1.0
209.11777	14.0
210.12082	1.1
211.13335	8.7
221.06631	2.9
221.11838	1.5
221.15453	1.4
223.13351	1.7
225.11293	2.1
225.14905	0.9
227.12823	4.1
229.84312	0.8
235.08202	4.6
235.13316	1.6
237.11237	2.1
243.17439	0.9
245.16721	1.1
245.19098	12.6
247.13383	1.3
247.20564	3.5
249.15010	0.9
253.09235	2.6
261.18533	1.1
263.07697	1.5
263.20111	4.5
265.14597	0.9
265.18170	0.8
271.16928	1.6
273.18582	2.6
275.20050	1.4
277.17984	0.7
279.33707	0.7
281.21060	1.6
287.07773	1.6
287.16476	1.4
289.18106	42.9
290.18442	2.8
291.19662	45.0
292.20026	3.0
293.21240	21.4
294.21558	2.8
305.08667	1.4
305.17587	4.8
307.19159	46.8
308.19379	3.2
309.20706	100.0
310.21069	6.8
311.22333	3.0
323.09683	1.3
323.18719	1.0
325.20203	2.6
333.20615	1.3
379.12436	2.3
397.13516	38.3
398.13849	2.9
415.14575	18.3
416.15070	1.1
521.32239	0.8
524.87274	0.8
529.30371	0.9
599.39722	1.1
607.25964	2.9
687.32135	3.9
689.33209	3.5
705.33295	5.1
706.34839	0.9
707.34875	5.6
708.34991	1.4
879.52417	0.9
881.44775	1.4
899.46149	3.3
928.47339	1.2
937.51929	1.0
939.49994	1.1
961.50568	1.6
979.52454	5.9
980.53198	0.8
997.53802	9.5
998.54205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	2.7
71.01253	24.2
71.52015	0.5
72.99188	2.7
73.02823	3.5
75.00739	1.1
78.95742	0.8
79.05410	0.5
81.03326	2.9
83.00845	0.8
83.01269	4.4
83.04899	2.0
85.02826	6.2
87.00748	5.3
88.03915	0.6
89.02316	19.0
93.03329	0.7
95.01254	2.8
95.04903	2.2
96.56111	0.5
96.95892	11.6
97.02826	5.3
97.06458	4.5
98.33253	0.5
99.00751	1.7
101.02320	18.2
106.04121	0.7
108.02028	0.5
109.02861	0.9
109.06480	1.3
111.00755	2.1
111.08041	1.5
113.02331	11.1
113.05968	0.5
113.09595	1.8
115.00246	0.6
115.07510	1.3
119.03403	5.3
119.08499	0.7
121.02839	0.5
121.06465	1.2
123.00774	0.7
123.04404	3.1
123.08017	1.4
125.02342	5.6
125.05960	0.6
125.09622	6.2
127.73855	0.5
131.03387	1.5
132.02905	1.7
135.08049	1.9
137.02351	0.7
137.09601	2.2
139.03885	0.7
139.11166	0.6
141.01840	1.4
141.09091	1.4
141.12775	0.7
143.03413	3.8
149.04451	0.5
149.05948	0.9
149.09679	0.5
151.11201	1.5
160.08835	0.6
161.04491	3.4
161.09581	0.6
162.10483	0.6
163.11189	5.0
165.09160	0.7
165.12776	5.4
167.10707	0.9
167.14317	1.9
169.12167	0.7
171.10159	1.2
174.01610	1.0
175.02379	0.9
177.12729	0.8
179.05550	7.8
179.10638	1.4
179.14262	0.6
181.12247	3.6
183.13863	1.3
185.11757	6.6
187.09593	0.9
191.10783	1.1
191.14378	4.4
191.22449	0.5
193.12216	1.6
193.15909	0.7
195.13872	2.7
195.15352	0.5
197.11732	6.1
203.14333	0.6
207.10233	2.9
207.13690	0.5
209.09886	1.0
209.11772	14.2
210.12025	0.6
211.13336	6.0
213.14890	0.6
217.07040	0.8
217.15996	1.6
221.06555	2.8
221.11743	0.8
221.15443	2.2
225.11324	2.6
227.12790	1.5
229.14330	0.8
235.08269	4.9
237.11299	1.6
239.12788	0.9
240.13658	0.6
241.14478	1.0
243.17584	0.5
245.19055	11.9
247.20631	4.3
248.20805	0.6
248.69177	0.5
251.12752	0.5
253.09364	0.5
253.15720	0.5
255.15851	1.0
263.07660	1.0
263.20151	3.7
271.16983	2.1
271.36115	0.4
273.18558	2.8
279.19595	0.6
281.21277	2.9
287.07867	1.0
289.18100	44.9
290.18405	2.8
291.19666	33.4
292.20120	3.0
293.21167	4.1
294.21469	0.8
295.22806	0.8
305.08691	1.0
307.19150	43.4
308.19421	3.0
309.20700	100.0
310.21082	6.4
311.22284	1.6
315.19736	1.5
323.09839	1.2
323.78604	0.6
325.20255	0.9
331.23065	0.7
333.20660	1.0
361.10977	0.6
379.12497	1.0
397.13477	32.9
398.13956	1.7
407.67523	0.7
411.29025	0.5
415.14612	12.9
416.14871	0.9
483.31018	1.5
501.32080	1.7
599.39624	2.0
607.26160	2.0
617.40387	0.7
648.24207	0.5
687.32306	2.2
689.34131	3.5
705.33441	3.8
706.33209	0.7
707.34747	7.7
708.34863	0.9
869.44830	0.8
881.45020	3.3
882.45947	0.9
899.46875	6.0
900.47516	1.1
961.51563	1.8
979.52039	3.4
980.52228	1.1
997.53687	13.1
998.53442	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	987.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72633	0.1
71.01248	1.2
71.04906	0.1
71.31788	0.1
72.01577	0.1
72.99196	0.2
73.02804	0.2
75.00723	0.1
83.01246	0.2
83.04866	0.1
85.02821	0.3
87.00743	0.3
89.02316	1.1
95.01265	0.1
97.02821	0.2
97.06473	0.3
99.08039	0.3
101.02322	1.2
109.02824	0.1
111.04367	0.1
113.02351	0.4
113.09605	0.6
115.07523	0.8
116.92794	0.2
119.03394	0.3
125.02314	0.4
126.06789	0.2
127.07582	0.4
128.08337	0.5
129.09111	0.1
133.01283	0.2
133.04944	0.1
139.11143	0.2
141.09134	0.2
143.03381	0.2
160.07259	0.1
161.04482	0.2
165.12733	0.1
167.10777	0.1
167.14325	2.2
168.14680	0.1
177.12772	0.1
179.05594	0.1
179.10686	0.1
181.12222	0.1
183.13818	2.1
183.15369	0.1
185.15413	0.1
195.13829	9.7
196.14178	0.5
211.13350	1.1
213.14894	1.0
221.06551	0.1
229.14412	0.2
235.08203	0.4
239.23737	0.3
241.14380	0.4
242.15181	1.1
243.15353	0.1
249.22118	0.6
253.09036	0.1
265.21790	0.7
267.23233	0.6
275.20123	0.4
277.09067	0.1
277.21716	2.9
278.22012	0.2
281.21313	0.1
283.22821	0.4
287.07712	0.1
291.19574	0.2
293.21216	7.1
294.21552	0.6
305.08746	0.3
309.20700	0.3
310.20908	0.1
311.22256	100.0
312.22601	8.4
397.13489	4.9
397.17664	0.1
398.13925	0.5
415.14514	1.7
675.36023	0.2
987.49579	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	987.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.9
71.01253	9.0
71.13437	0.2
72.99159	0.6
73.02834	1.3
81.03313	0.5
83.01275	1.2
83.04893	0.9
84.02029	0.3
84.87570	0.2
85.02821	2.3
87.00755	2.3
89.02317	7.8
89.57439	0.2
90.02606	0.2
95.01250	0.7
97.02843	1.7
97.06448	0.4
98.20577	0.5
99.00746	0.7
99.08024	1.6
101.02318	6.8
111.04404	0.3
111.08027	0.4
113.02333	3.8
113.09607	2.0
119.03387	2.3
123.08025	0.3
125.02338	3.2
127.07540	0.5
127.11214	0.4
129.09109	4.1
131.03375	0.4
133.04935	0.3
139.11177	0.7
141.09042	0.2
142.29466	0.2
143.03403	1.7
149.13200	0.2
150.16197	0.2
151.11159	0.5
153.12762	0.5
155.10640	0.4
161.04485	1.8
163.11203	0.2
165.12752	0.3
167.10703	0.4
167.14328	0.5
169.12270	1.9
171.10202	1.8
179.05550	1.7
181.12257	3.7
183.13828	1.8
193.12337	1.2
195.13834	0.4
197.11754	7.2
198.12073	0.3
199.13350	3.0
201.11205	0.3
211.13333	11.7
212.13686	0.9
221.06721	0.6
235.08180	3.6
249.22189	0.3
253.09258	0.8
263.07693	0.3
265.21710	0.5
275.20157	1.0
277.21710	23.3
278.22037	2.2
287.07791	1.2
293.21210	9.6
294.21497	0.5
305.08728	1.6
311.22263	100.0
312.22629	7.8
323.09869	0.4
379.12482	0.4
397.13480	38.0
398.13876	3.0
415.14548	13.6
416.14877	0.8
464.15363	0.2
497.66943	0.3
675.35785	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	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.0
71.00208	0.5
71.01253	11.8
71.65312	0.2
72.01591	0.2
72.99177	0.8
73.02816	1.5
75.00716	0.3
80.02576	0.3
81.03334	0.6
83.01263	1.2
83.04887	0.7
84.02024	0.4
85.02818	9.1
87.00749	2.8
89.02319	10.9
91.03876	0.2
95.01250	0.9
95.04898	0.5
97.02254	0.3
97.02834	3.0
97.06469	1.7
99.00758	0.4
101.02328	8.5
109.06433	0.3
111.00811	0.3
111.04400	0.2
113.02326	4.7
119.03405	2.9
119.08550	0.4
121.02851	0.4
123.08051	0.2
125.02342	3.3
125.09621	1.1
127.03957	0.2
127.07500	0.3
127.11174	1.1
131.03380	0.5
137.09605	2.5
139.11153	0.2
141.01817	0.3
141.23613	0.2
143.03400	1.7
149.04428	0.5
153.09109	0.2
155.10704	0.7
161.04471	2.2
165.12750	0.8
167.03380	0.4
167.14264	0.5
171.10181	26.0
172.10521	1.0
177.12790	0.7
179.05530	3.9
181.12244	0.3
183.13826	2.3
185.11781	0.6
193.12303	0.9
195.13834	0.8
197.11736	0.9
199.13338	0.3
201.11264	1.1
209.11769	1.1
211.13336	10.8
212.05035	0.2
212.13647	0.6
221.06660	1.8
221.11746	1.8
223.13350	0.6
229.14409	7.7
230.14806	0.3
235.08173	3.6
239.12851	1.6
247.20749	0.5
253.09317	1.0
263.07761	0.3
275.20392	0.3
277.21725	17.2
278.22040	1.0
287.07758	1.1
291.19696	4.1
292.19888	0.4
293.21231	6.9
294.21576	0.8
295.22815	2.0
296.23053	0.2
305.08798	1.4
307.18671	0.2
309.20715	13.7
310.20999	1.0
311.22241	6.2
312.22702	0.5
323.09827	0.4
327.21750	100.0
328.22086	6.2
341.10538	0.4
351.21603	0.6
355.70172	0.2
379.12445	0.8
397.13477	24.8
398.13852	1.5
415.14554	15.9
416.15015	1.0
531.28497	0.2
545.30133	0.4
587.43109	2.7
588.43671	0.3
675.36060	0.8
691.36237	0.3
707.34930	6.1
708.35474	0.8
709.36572	0.4
725.35968	5.3
726.36627	1.0
985.56946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.574
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99703	0.3
69.03333	2.2
69.25018	0.4
69.25365	2.5
71.01253	16.4
71.04877	0.4
71.59990	0.3
72.99178	1.7
73.02824	2.4
75.00745	0.5
81.03323	0.9
83.01260	2.0
83.04895	0.6
85.02820	9.9
86.96371	0.3
87.00752	3.5
87.04369	0.3
89.02318	13.3
95.01270	1.3
95.04903	0.4
97.02822	3.7
97.06466	1.7
99.00755	1.1
101.02323	11.7
109.02855	0.4
111.04369	0.5
111.08064	0.6
113.02330	6.7
119.03386	4.0
119.08569	0.4
125.02332	4.3
125.09592	0.9
127.11179	1.1
131.03374	0.5
133.04913	0.5
137.09610	2.5
139.03914	0.4
141.01831	0.4
143.03401	2.2
149.04497	0.5
155.10619	0.6
155.14252	0.3
161.04463	2.8
165.12680	0.5
167.03351	0.4
167.14301	0.3
169.05057	0.3
169.12251	0.3
171.10181	24.0
172.10577	0.6
177.12804	0.6
179.05498	2.6
181.12292	0.3
183.13808	3.1
185.04512	0.3
185.11761	0.6
193.12263	0.6
195.13866	1.3
197.11765	2.3
201.11195	1.2
209.11739	0.8
211.13329	9.6
212.13654	0.3
217.07158	0.4
221.06633	1.0
221.11768	1.7
229.14420	6.8
233.15434	0.3
235.08223	4.4
239.12817	1.2
251.16498	0.5
253.09242	0.9
257.13904	0.3
263.07776	0.4
268.02383	0.3
277.21722	30.4
278.22098	2.4
287.07693	1.1
291.19666	4.3
293.17877	0.3
293.21222	1.3
295.22787	6.0
296.23083	0.8
305.08707	1.5
309.20685	13.1
310.21066	0.8
311.22324	1.0
323.09842	1.2
327.21747	100.0
328.22110	6.1
372.35553	0.3
379.12354	0.7
397.13486	49.8
398.13864	2.5
415.14572	16.3
416.14648	1.1
485.22333	0.3
587.43109	1.8
675.35907	2.8
707.34845	5.1
708.35602	0.9
725.36023	2.7
985.57269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	0.4
71.01254	3.4
72.99213	0.2
73.02860	0.4
73.33130	0.1
77.35039	0.1
80.02579	0.2
81.03380	0.3
82.33721	0.1
83.01266	0.2
83.04948	0.4
84.02061	0.2
85.02840	0.8
87.00758	0.9
89.02319	2.5
89.02821	0.2
91.03907	0.1
95.01300	0.3
97.02827	0.7
97.06502	0.2
98.20598	0.4
99.04455	0.1
100.89922	0.1
101.02322	2.1
101.02909	0.2
107.08558	0.2
109.06521	0.4
111.04494	0.2
111.08046	1.7
113.02328	1.4
115.00307	0.2
116.92724	0.2
119.03374	0.7
119.04920	0.2
120.05758	0.1
121.06541	0.2
125.02317	1.1
125.09622	0.6
127.07559	0.3
127.11178	1.4
129.09145	0.3
133.05002	0.2
137.09619	0.3
139.03877	0.1
139.07626	0.2
139.11168	0.1
141.09148	0.2
143.03442	0.4
149.09682	0.4
151.11180	0.7
151.43896	0.1
152.08337	0.2
153.09126	0.5
153.12753	3.2
155.10693	0.9
161.04471	0.5
161.09607	0.2
163.11209	0.4
165.12776	0.6
167.10690	1.4
169.12256	0.8
179.05545	0.7
179.10776	0.5
179.14340	1.6
181.12262	2.6
193.15967	0.6
195.13843	0.2
197.11768	2.4
199.13351	1.1
203.14470	0.2
207.13870	1.8
209.15523	0.3
215.12895	1.0
217.15921	0.3
221.06627	0.3
223.13208	0.1
225.11325	0.2
226.12112	0.4
227.12822	0.9
228.13559	0.7
231.17465	0.2
235.08214	1.2
237.22154	0.3
241.14453	0.3
245.19011	0.3
247.20641	4.2
248.21054	0.2
253.09351	0.3
263.20190	0.6
265.21671	0.8
273.18622	2.2
274.19016	0.2
275.16620	0.2
277.21729	7.4
278.22083	0.4
281.21191	1.4
287.07697	0.3
291.19662	23.9
292.20023	1.6
305.08786	0.4
307.19153	0.2
308.19620	0.2
309.20700	100.0
310.21045	6.6
323.09521	0.2
326.92816	0.1
397.13483	11.2
398.13974	0.7
415.14590	4.0
416.14862	0.2
647.28833	0.2
675.35718	0.4
920.70288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.9
69.29680	0.2
71.01253	14.6
71.09000	0.4
71.09320	0.3
72.99184	1.3
73.02805	2.2
75.00729	0.4
80.40316	0.3
81.03310	0.7
83.01251	1.3
83.04896	0.6
85.02818	3.4
85.99963	0.3
87.00748	3.7
89.02314	13.9
90.02608	0.3
93.03309	0.4
95.01268	1.3
95.04892	0.5
97.02816	4.2
97.06421	0.4
99.00720	0.8
101.02319	12.1
101.99411	0.3
109.06449	0.5
111.00730	0.2
111.04369	0.4
111.07294	0.4
111.08038	6.5
112.08332	0.3
113.02330	6.2
113.09536	0.3
114.02672	0.3
119.02707	0.3
119.03399	3.0
121.02863	0.4
125.02339	4.0
125.09612	0.5
127.07542	0.5
131.03391	0.5
137.09567	0.5
139.03870	0.3
141.01845	0.6
141.09012	0.5
143.03413	2.5
149.04448	0.4
151.03799	0.3
153.12718	0.8
161.04466	2.6
163.11176	1.0
165.12724	1.8
167.03561	0.3
167.10683	0.5
169.12283	2.2
171.10188	2.2
177.12810	0.3
178.84087	0.2
179.05522	4.4
179.14331	0.8
181.12236	1.2
183.13815	0.9
185.04498	0.3
193.12244	0.5
195.13811	6.4
196.14215	0.4
197.11755	27.3
198.12035	1.6
199.13411	1.4
205.12285	0.5
205.15872	0.5
209.11757	0.9
211.13306	4.6
211.15170	0.5
212.13797	0.4
221.06641	1.6
223.13329	5.9
223.16806	0.4
224.13834	0.7
225.14899	0.8
227.12810	1.4
228.13570	0.6
231.21208	0.3
235.08192	3.9
247.20657	2.0
253.09277	1.0
256.13147	1.1
262.21988	0.3
263.07773	0.6
263.20090	1.7
265.18130	0.8
265.21643	0.5
273.18573	1.2
274.18887	0.3
275.20105	4.7
287.07764	0.7
289.17981	0.7
291.19656	21.7
292.20020	2.4
293.21207	100.0
294.21564	7.6
305.08649	1.4
309.20691	76.4
310.21027	6.8
317.21115	0.5
323.09775	1.1
323.25626	0.3
333.20712	0.5
351.21585	0.4
354.22849	0.3
365.95563	0.3
379.12527	2.3
380.12900	0.4
397.13464	32.3
398.13812	2.7
415.14563	20.7
416.14801	1.4
585.41522	2.5
586.42456	0.7
595.26086	0.4
595.72711	0.3
636.26227	0.4
673.34485	0.7
679.60840	0.3
679.73987	0.4
689.33923	1.7
690.34705	0.3
691.35461	1.8
707.34906	3.9
708.35614	0.7
983.55835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
69.38062	2.2
69.38477	1.0
69.78634	0.4
71.01255	17.8
72.99171	1.6
73.02814	2.5
73.49537	0.4
81.03347	0.4
83.01254	1.8
83.04903	0.5
85.02842	3.5
85.99946	0.5
87.00755	2.7
89.02320	15.5
95.01268	1.8
95.04906	0.9
97.02821	2.5
97.06467	1.4
99.00768	1.4
101.02326	13.3
109.02800	0.5
111.00710	0.4
111.08089	0.7
113.02337	7.8
113.09602	2.3
115.07516	0.9
119.03410	3.9
121.02843	0.4
123.00817	0.5
123.04375	0.5
125.02330	3.9
131.03427	0.6
139.11147	0.5
141.01805	0.9
141.09100	0.9
143.03407	1.9
145.04951	0.6
151.11169	0.5
153.12784	0.7
161.04451	2.9
165.12790	3.0
167.10609	0.8
167.14313	1.8
179.05524	6.3
179.14372	1.0
179.87741	0.4
181.12244	2.7
183.13737	1.1
193.12259	1.7
195.13844	9.0
196.14386	0.8
205.12360	0.7
205.16037	0.5
211.13315	3.6
213.15009	0.6
221.06592	2.1
221.15436	2.0
223.13356	5.9
225.14902	0.4
228.13870	0.4
229.14342	1.0
235.08228	3.3
247.20679	3.4
253.09297	0.7
256.13144	0.7
263.07675	0.6
263.20132	0.7
265.21667	1.0
273.18622	3.0
275.20169	4.9
281.21280	1.6
287.07849	0.8
291.19662	34.1
292.19910	3.4
293.21222	93.5
294.21552	8.3
305.08752	1.0
309.20709	100.0
310.21036	7.2
311.22357	1.5
323.09845	1.0
333.20416	0.5
379.12299	1.4
397.13498	30.9
398.13785	2.4
415.14633	13.4
415.19958	0.3
416.14795	0.8
585.41473	1.2
612.56610	0.5
654.27527	0.5
673.34387	0.9
689.33740	9.0
690.34192	2.6
691.35925	2.1
691.46466	0.5
692.36322	0.7
707.34967	19.4
708.35345	2.6
723.85992	0.4
914.49115	2.5
915.49731	0.9
941.94427	0.4
983.55792	14.8
984.56500	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	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	0.8
71.01254	15.0
71.04919	0.3
72.99215	1.1
73.02818	1.9
81.03342	0.8
81.75513	0.3
83.01295	1.4
83.04929	0.8
85.02835	3.5
87.00758	4.0
89.02318	12.3
90.50424	0.4
93.03355	0.4
95.01276	1.4
95.04890	0.4
97.02831	3.7
97.06477	0.7
99.00793	1.3
101.02325	10.9
102.02693	0.3
109.02822	0.4
109.06486	0.5
111.00755	0.5
111.08015	1.7
113.02330	7.3
119.03406	3.2
123.04443	0.4
123.08086	0.5
125.02325	4.3
125.06008	0.4
125.09653	1.4
131.03377	0.4
137.09663	0.9
139.03876	0.7
142.02626	0.4
143.03398	1.9
145.04970	0.3
149.04393	0.5
151.11145	0.5
153.12869	0.3
161.04466	2.3
162.10405	0.6
163.11172	1.9
165.12756	5.6
169.12312	0.6
171.10236	1.4
177.12715	0.5
179.05540	4.4
179.14383	2.0
181.12267	1.8
183.13858	0.6
193.12233	0.7
193.15915	1.6
195.13841	7.1
196.14311	0.5
197.11787	5.3
199.13229	0.4
205.12187	0.7
205.15834	0.4
209.11768	1.2
211.13388	2.0
217.06909	0.3
221.06493	1.7
223.13329	7.3
224.13776	0.4
225.14879	0.5
228.13663	0.5
229.47607	0.4
231.21272	0.3
235.08247	3.6
235.10472	0.5
235.16907	0.5
236.08582	0.4
247.20621	4.5
248.20897	0.5
253.09222	0.7
256.13171	1.1
263.07660	0.7
263.20181	0.7
273.18546	2.3
275.20172	5.3
287.07855	0.7
291.19669	56.0
292.20020	5.3
293.21225	100.0
294.21545	8.7
305.08716	1.3
309.20712	97.3
310.21042	9.3
323.09824	1.1
379.12421	1.9
397.13504	32.1
398.13989	2.8
415.14584	17.6
416.14740	1.3
465.52481	0.4
514.64545	0.4
585.41315	1.5
671.31995	0.4
673.34137	0.8
689.33728	1.5
690.34491	0.5
691.35895	1.9
707.34357	1.1
713.95648	0.4
914.48309	0.6
983.52557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.4
71.01251	17.0
72.01579	0.5
72.99189	1.3
73.02824	2.3
73.37834	0.3
73.90568	0.3
74.12535	0.3
75.00703	0.4
81.03319	0.7
83.01271	1.5
83.04887	0.7
83.06178	0.3
85.02830	4.3
85.99963	0.3
86.11843	0.3
87.00748	3.8
89.02318	13.3
95.01254	1.3
95.04924	0.3
97.02829	2.6
97.06496	0.4
99.00764	1.4
100.81826	0.3
101.02326	11.3
109.06503	0.5
111.04414	0.3
111.08038	7.7
112.08482	0.4
112.54140	0.3
113.02330	7.8
113.09605	0.5
115.03913	0.4
116.92686	0.3
119.03397	3.8
123.18031	0.4
125.02335	4.5
127.07559	0.6
131.03380	0.7
139.03871	0.4
141.01846	0.6
141.09196	0.3
143.03391	2.5
149.92296	0.3
151.11183	0.7
153.12814	0.8
161.04485	3.2
163.07594	0.3
165.12781	0.6
167.10730	0.7
169.12247	3.1
171.10170	0.6
177.12730	0.6
179.05542	4.2
179.10695	0.6
179.14340	0.7
181.12297	1.7
183.13788	1.9
195.13841	8.4
196.14563	0.9
197.11765	37.6
198.12119	2.3
199.13422	1.8
205.12325	0.6
211.13336	7.6
212.13737	0.6
217.06938	0.3
221.06552	1.8
223.13362	5.3
224.13866	0.4
225.14915	0.5
226.78458	0.4
227.12863	0.8
228.13594	0.7
231.21201	0.7
235.08231	4.1
237.18271	0.5
239.12891	0.5
245.06450	0.4
247.20624	0.6
253.09241	0.8
256.13156	0.9
263.07867	0.8
263.20166	2.1
265.18021	0.5
265.21658	0.6
273.18622	0.5
275.20154	5.6
276.20441	0.5
277.21442	0.4
287.07697	0.8
289.18152	0.4
291.19650	15.6
292.20038	0.9
293.21225	100.0
294.18280	0.5
294.21570	8.3
305.08725	1.3
308.19482	0.3
309.20703	91.7
310.21051	7.5
323.09943	1.0
327.22089	0.4
333.20502	0.4
379.12466	1.7
397.13498	34.5
398.13782	3.0
415.14578	21.9
415.18979	0.3
416.14728	1.8
585.41791	3.0
586.41980	0.8
649.29474	0.4
654.27594	0.5
689.34155	2.5
690.34039	0.7
691.35547	3.6
692.35541	0.6
707.34680	3.3
708.35376	0.5
983.55682	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	981.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.8
71.01254	17.8
71.04922	0.5
72.99163	2.0
73.02823	2.4
75.00763	0.8
79.62592	0.3
80.02579	0.4
80.96428	0.4
81.03333	2.2
83.01260	2.4
83.04934	1.1
85.02821	4.5
85.03278	0.3
85.06487	0.3
86.65835	0.3
87.00758	4.3
87.14550	0.3
89.02316	13.3
93.03365	0.6
95.01257	1.6
95.04900	1.4
96.95877	1.7
97.02831	4.1
97.06461	3.2
99.00816	1.2
99.04453	0.3
101.02323	12.6
106.04109	0.4
109.02898	0.5
109.06407	1.4
110.03632	0.3
111.00800	0.7
111.04427	0.6
111.08073	1.2
113.02335	8.3
113.03045	0.6
113.09616	0.4
119.03396	4.2
119.08537	0.6
121.02862	0.4
121.06499	0.7
123.00804	0.3
123.04406	1.7
123.08097	1.3
123.29958	0.3
125.02333	5.1
125.03106	0.3
125.06009	0.5
125.09614	3.7
126.10019	0.3
127.03982	0.3
131.03387	0.4
135.08113	0.8
135.47279	0.3
137.09627	2.3
139.03888	0.4
141.01904	1.0
141.12813	0.7
143.03412	2.8
149.04555	0.4
149.06020	0.4
151.11214	0.5
154.02509	0.3
160.08882	0.4
161.04453	3.1
161.09607	0.4
163.11192	5.2
165.12791	1.7
167.10657	0.8
169.05144	0.4
169.12257	0.5
171.10190	0.4
175.11269	0.4
177.12822	0.9
179.05530	5.7
179.10725	1.0
179.14366	1.1
181.12247	1.4
182.49153	0.3
183.13866	0.4
185.11751	4.2
189.12885	0.5
191.10806	0.7
191.14368	4.3
191.57600	0.3
193.12239	0.3
195.10107	0.4
195.13823	7.1
196.14369	0.7
197.11809	1.0
198.05281	0.3
205.12340	0.7
205.16020	0.5
207.10231	2.4
209.11781	9.3
210.12112	0.5
211.13332	2.8
217.15912	1.0
221.06622	1.4
221.11763	0.4
223.13379	5.3
224.13693	0.6
225.11284	1.5
225.15022	0.5
227.12936	0.6
227.17996	0.4
228.13600	0.9
231.21048	0.5
235.08191	4.1
237.11296	2.4
245.06709	0.4
245.19080	9.1
245.21582	0.5
246.19453	0.8
247.20743	0.6
251.13115	0.3
253.09253	1.2
256.13049	1.4
263.07657	0.7
263.20197	2.6
265.21646	0.5
271.16995	1.3
273.18619	0.6
275.20181	4.1
276.20538	0.4
277.21783	0.9
281.21164	0.7
287.07736	1.0
289.18103	46.5
290.18484	3.7
291.19675	13.0
292.20084	0.9
293.21216	100.0
294.21567	8.6
295.22644	0.5
305.08740	1.3
305.17737	0.6
307.19141	45.3
308.19473	4.2
309.20721	11.2
310.21158	0.9
323.09720	0.9
325.20215	0.4
331.19040	0.4
379.12378	2.2
397.13489	32.1
398.13754	2.0
415.14594	15.4
416.14709	1.3
416.19791	0.3
583.40027	0.8
607.26459	0.7
687.32599	2.1
688.32269	0.6
689.33655	1.9
691.35248	0.7
705.33398	2.6
707.34253	0.6
843.39691	0.4
883.46936	0.5
912.47058	0.6
913.61694	0.3
963.52551	1.3
964.53888	0.4
981.54541	5.3
982.54999	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	981.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.0
70.53584	0.7
71.01254	14.0
71.04885	1.3
72.01617	0.3
72.99181	1.3
73.02815	1.7
75.00734	0.4
80.02556	0.5
81.03324	1.2
83.01250	1.5
83.02379	0.2
83.04884	0.9
85.02825	3.3
85.06506	0.2
87.00750	3.5
89.02316	12.8
91.03903	0.2
93.03288	0.3
95.01249	1.1
95.04889	0.9
97.02831	1.9
97.06435	0.4
98.03594	0.4
99.00762	0.9
101.02322	10.8
106.04103	0.7
107.04935	0.3
109.02831	0.5
109.06475	6.3
111.00755	0.5
111.04408	2.6
111.08054	1.1
113.02330	6.0
113.09626	0.3
114.02651	0.2
115.03868	0.3
119.03391	3.1
121.02882	0.3
121.06454	0.5
121.10117	0.4
123.00693	0.3
123.04357	0.3
123.08048	1.2
125.02336	3.8
127.07530	0.9
131.03374	0.6
135.08047	0.3
135.11714	0.2
137.06015	0.2
137.09633	0.7
139.03903	0.5
141.01831	0.7
143.03410	2.0
143.10681	0.9
145.06491	1.5
149.04486	0.5
149.05934	0.2
149.09627	0.6
151.11168	0.7
155.10622	0.2
159.02933	0.3
159.08069	0.3
161.04457	3.1
163.11177	0.6
165.12669	0.4
167.10670	1.6
171.10220	0.4
177.09074	0.2
177.12729	0.7
179.05527	4.3
179.10712	0.7
179.14261	0.7
181.12254	0.9
183.13861	0.3
185.04414	0.3
191.14330	0.6
195.13841	7.7
196.14497	0.6
197.11823	0.3
205.12216	0.6
205.15892	0.5
207.17538	0.3
209.11584	0.2
211.13351	0.4
215.14345	0.4
217.07176	0.4
221.06557	1.7
223.11101	0.3
223.13332	5.0
224.13812	0.3
225.14893	0.6
228.13628	0.5
231.21202	0.3
235.08199	3.5
235.13290	0.7
245.06720	0.2
245.19096	4.0
246.19319	0.4
249.14905	0.4
251.16519	0.5
253.09262	0.8
256.13184	1.1
261.18582	0.2
263.07785	0.5
265.21603	0.3
271.16998	1.1
273.14905	0.3
275.20145	4.3
276.20428	0.4
287.07855	1.1
287.16522	1.5
289.18091	87.6
290.18451	7.9
291.19620	2.4
293.21216	100.0
294.21555	8.2
305.08743	1.5
307.19110	5.3
308.19571	0.4
309.20685	2.0
317.21118	0.3
323.09818	1.1
331.19138	0.6
379.12512	2.8
397.13489	35.9
398.13794	2.4
415.14542	14.3
416.14783	1.0
565.38892	0.5
654.26428	0.2
669.31561	1.1
673.34454	1.0
687.32239	3.9
688.32495	0.6
691.35480	1.3
927.52295	0.2
963.53949	0.4
981.53644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	0.8
71.52621	0.2
73.02816	0.5
83.01215	0.2
85.02827	0.5
87.00772	0.3
89.02346	0.6
96.49612	0.1
97.06482	0.4
101.02332	1.1
103.45486	0.2
113.02356	0.4
117.32381	0.1
119.04893	0.3
120.01134	0.3
121.02829	0.8
122.03616	0.4
123.84660	0.2
128.03403	0.3
137.09567	0.2
139.95309	0.2
143.03409	0.2
143.04488	0.4
147.04420	1.1
148.05200	98.6
149.02380	0.2
149.05544	4.6
150.03123	0.6
151.03908	0.2
161.04451	0.4
163.07553	100.0
164.07893	4.7
165.05466	0.7
171.10196	1.7
177.05408	0.2
183.13826	0.2
195.06534	0.4
203.05592	0.3
209.11792	0.4
211.13303	1.4
229.14426	1.2
231.22052	0.2
239.12791	0.2
253.09247	6.2
254.09697	0.2
283.02411	0.2
291.19635	0.5
306.07562	1.3
309.20496	0.3
327.21747	12.3
328.22226	0.9
339.08456	0.2
343.11981	0.2
357.13278	0.3
367.13925	2.0
369.13547	0.4
535.19513	0.2
563.22150	0.2
563.30548	2.5
564.30200	0.2
583.21967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02948	0.9
69.03319	3.0
71.01250	14.0
71.52112	1.9
72.04084	1.2
72.99187	2.7
73.02819	6.1
75.00738	1.6
83.01289	1.3
84.02002	1.2
85.02834	2.3
85.37679	1.0
87.00755	4.3
88.98685	4.6
89.02309	9.9
95.01251	1.7
96.95879	2.4
97.02828	2.0
99.00767	2.0
99.92459	10.7
101.02338	8.1
102.72587	1.1
103.02289	1.0
111.08008	2.1
113.02328	4.6
115.00254	2.2
116.92742	100.0
117.01831	8.2
117.92752	8.3
119.03386	2.8
125.02356	3.3
143.03418	2.0
161.04445	1.9
165.12730	1.9
167.10684	1.8
171.10199	2.5
179.05551	2.1
179.14413	1.4
188.39218	1.4
195.13840	4.2
197.11746	11.8
205.12274	4.5
211.13362	3.0
221.11742	1.2
223.13359	36.5
224.13710	1.3
235.08139	2.7
247.20457	1.2
253.09358	1.4
255.23233	2.0
277.21790	1.8
287.07767	1.1
291.19629	12.6
292.20172	1.5
293.21207	1.2
305.08963	1.3
309.20703	46.5
310.21094	3.0
311.22296	2.8
379.12473	3.2
397.13504	23.8
398.14178	1.7
415.14703	6.8
603.26593	4.3
621.27576	10.1
622.26581	1.4
689.33734	1.7
707.35394	3.0
913.48157	4.1
914.47955	1.9
973.51599	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	971.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01254	14.7
71.90473	0.2
72.99178	1.3
73.02820	2.2
75.00743	0.3
81.03327	0.5
83.01259	2.0
85.02815	3.6
87.00749	3.7
89.02316	14.0
91.03896	0.4
93.03342	0.3
95.01260	1.4
97.02822	2.9
98.19846	0.6
99.00751	0.7
101.02322	12.9
102.02651	0.3
103.03861	0.3
109.02832	0.4
111.04382	0.4
111.08055	0.3
113.02326	6.3
116.92748	0.8
119.03381	3.9
123.08133	0.2
125.02338	5.9
127.03897	0.5
131.03369	0.7
133.04947	0.6
134.94162	0.2
139.03877	0.5
141.01828	0.3
143.03416	2.3
149.04457	0.4
161.04451	3.4
167.03366	0.3
167.10620	0.4
169.04974	0.3
179.05571	3.0
179.10614	0.3
179.14310	0.9
195.13834	8.1
196.14500	0.9
199.06096	0.3
203.05505	0.4
205.12309	0.8
205.15854	0.4
211.13309	0.5
217.07098	0.5
221.06609	1.3
223.13327	5.8
224.13690	0.5
228.13643	0.7
231.21140	0.4
235.08179	6.8
239.12994	0.3
245.06581	0.4
247.90076	0.2
253.09328	1.3
256.13089	1.2
261.22156	0.3
263.07712	0.8
265.21646	0.4
275.20148	4.2
276.20395	0.3
277.09064	0.3
279.23282	48.2
280.23615	3.1
287.07715	2.0
293.21213	100.0
294.21542	7.6
305.08780	2.9
323.09811	1.0
379.12561	0.5
397.13474	72.1
398.13831	5.0
408.33282	0.3
415.14557	23.4
416.14914	1.3
677.37457	3.9
678.37518	0.4
755.73328	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	969.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59162	0.3
69.03329	0.7
70.08755	0.3
70.09100	0.9
71.01253	10.6
72.99175	1.1
73.02825	1.6
81.03327	0.4
83.01244	0.8
83.04901	0.3
85.02824	2.6
87.00745	2.6
89.02316	10.0
95.01266	0.6
95.04867	0.3
95.23822	0.3
97.02816	1.6
99.00774	0.7
99.92458	0.9
101.02322	7.5
108.23302	0.3
109.02832	0.4
111.08032	0.3
113.02332	4.8
113.09596	1.3
113.10934	0.2
116.92747	8.9
117.01808	0.5
117.92747	0.3
119.03390	2.5
125.02332	2.6
130.35684	0.3
131.03474	0.3
141.01866	0.3
143.03410	1.7
149.04472	0.2
161.04463	1.8
177.12808	0.6
179.05522	3.4
179.14282	1.0
181.12242	0.6
195.13840	18.0
196.14211	1.1
205.12216	0.5
205.15887	0.4
211.13341	0.5
221.06609	1.1
223.13358	4.3
225.14966	0.5
228.13559	0.5
231.21117	0.3
235.08154	3.0
239.12772	0.2
253.09259	0.7
256.13089	0.8
263.07660	0.3
275.20193	3.3
275.23120	0.2
277.21716	11.4
278.21979	1.1
279.22998	0.3
280.23557	0.4
281.24127	0.3
287.07700	0.9
293.21222	78.8
294.21536	6.5
295.22769	100.0
296.23117	7.8
305.08734	1.0
317.21191	0.6
319.22836	0.4
323.09824	0.7
337.23993	0.3
379.12302	1.4
397.13489	26.8
398.13898	1.6
415.14575	16.6
416.14825	0.9
571.43665	3.4
572.44073	0.5
673.34406	0.7
675.35559	0.5
691.35101	1.6
693.36957	2.4
694.37469	0.3
969.58112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	0.1
69.03306	0.3
71.01254	5.8
71.29203	0.2
72.99165	0.4
73.02822	0.9
81.03313	0.2
83.01258	0.6
85.02824	1.5
85.99954	0.1
87.00752	1.4
89.02316	5.2
95.01243	0.5
95.04890	0.2
97.02836	0.8
97.06400	0.1
99.00743	0.3
101.02317	4.5
109.15330	0.1
111.04387	0.2
111.08063	0.3
113.02328	2.6
113.09617	0.1
115.03850	0.1
119.03374	1.2
125.02325	1.8
131.03392	0.3
139.03851	0.2
141.01782	0.2
141.05482	0.1
143.03413	0.9
144.62291	0.1
149.04443	0.2
159.02966	0.1
161.04460	1.3
167.03387	0.1
167.10675	0.3
169.12213	0.1
177.12807	0.2
179.05534	1.8
179.10695	0.2
179.14360	0.5
180.05856	0.1
181.12228	0.2
185.04517	0.1
195.13832	6.5
196.14424	0.7
205.12230	0.5
205.15912	0.3
211.13350	0.5
221.06570	0.7
223.13342	4.7
224.13840	0.5
225.14894	0.3
228.13670	0.6
231.21184	0.3
235.08206	1.5
239.12946	0.1
249.22137	0.2
253.09196	0.6
256.13120	1.2
263.07669	0.3
265.21625	0.4
275.20120	4.2
276.20447	0.3
287.07736	0.6
293.21210	100.0
294.21536	8.9
305.08762	0.6
309.20673	0.2
317.21091	0.2
323.09714	0.5
379.12439	0.8
397.13474	16.2
398.13806	1.3
415.14542	10.7
416.14972	0.6
569.42035	1.6
570.42487	0.2
636.26282	0.2
640.80768	0.1
654.27264	0.3
673.34357	0.9
674.34637	0.2
691.35437	2.3
692.35889	0.3
930.47540	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	967.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.4
69.03327	1.6
71.00240	0.5
71.01251	20.0
72.99184	1.2
73.02813	3.1
73.53560	0.2
75.00751	0.5
81.03327	1.0
83.01259	1.7
83.04898	0.6
84.83850	0.3
85.02827	4.6
87.00743	4.8
87.04362	0.3
89.02315	15.9
90.02641	0.3
93.03319	0.4
95.01255	1.5
95.04902	0.3
97.02815	3.8
97.06473	0.4
99.00756	1.3
99.04353	0.4
101.02319	13.9
102.02647	0.3
109.02794	0.2
109.06472	0.5
111.00723	0.5
111.04390	0.6
111.08035	9.0
112.04605	0.2
113.02328	7.9
114.02699	0.3
115.03897	0.4
119.03381	4.4
121.02804	0.3
121.06513	0.2
123.00760	0.3
124.01546	0.3
125.02340	6.8
125.09592	0.3
126.02625	0.3
127.07533	1.2
129.01782	0.2
131.03407	1.0
133.04988	0.3
137.02304	0.4
137.09605	0.4
139.03899	0.4
139.11220	0.2
141.01819	0.3
143.03395	3.1
149.04463	0.6
150.50597	0.3
151.11253	0.9
153.09084	0.4
153.12753	1.1
157.04996	0.3
161.04468	3.3
163.11235	0.4
165.12704	0.7
167.03461	0.3
167.10652	0.4
169.12260	4.0
171.10194	0.9
179.05533	5.2
179.10701	0.7
181.05002	0.2
181.12309	1.2
183.13889	0.9
193.12231	0.6
193.15828	0.3
195.13884	0.3
197.11760	43.7
198.12061	2.4
199.13310	2.6
200.27052	0.3
209.15387	0.6
211.13332	8.0
212.13672	0.4
217.07094	0.5
221.06572	2.7
221.11676	0.4
225.14919	1.6
227.12805	1.4
233.15311	0.4
235.08173	5.9
236.08832	0.3
245.06578	0.3
247.20781	0.3
251.16470	0.8
253.09258	1.3
255.23277	0.3
259.08194	0.4
263.07642	0.5
263.20169	3.2
265.18073	0.8
273.18439	1.2
275.20206	0.4
277.21707	48.6
278.22064	4.1
281.08698	0.3
287.07684	2.1
289.18030	0.5
291.19656	21.2
292.19962	1.8
305.08755	2.7
309.20691	100.0
310.21039	8.2
323.09885	1.2
329.23428	0.5
330.23434	0.4
333.20624	0.9
379.12454	3.7
380.12439	0.4
397.13474	43.1
398.13843	3.0
415.14548	16.9
415.18918	0.3
416.14850	1.5
569.42023	0.5
595.26007	0.4
657.34680	0.4
675.36487	0.9
689.33667	2.1
690.33502	0.4
707.34686	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	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.6
71.01252	16.8
71.04888	0.6
72.01573	0.4
72.99181	1.5
73.02826	2.3
74.87189	0.2
75.00743	0.4
80.02528	0.4
81.03339	1.0
83.01251	1.4
83.04897	1.0
85.02814	4.2
85.06447	0.4
87.00746	4.1
87.04380	0.3
89.02316	13.2
93.03368	0.3
95.01252	1.6
95.04903	0.5
97.02824	5.2
97.06461	0.8
98.03641	0.3
98.19778	0.7
99.00736	1.2
99.04429	0.3
101.02324	11.5
102.02714	0.3
109.06483	0.9
111.00729	0.3
111.04415	0.6
111.08032	2.0
113.02328	6.9
119.03388	3.3
119.08540	0.3
121.02794	0.5
123.04388	0.4
123.08061	0.4
125.02336	5.6
125.05961	0.6
125.09608	0.9
127.07529	0.6
131.03394	0.8
133.04961	0.3
137.09630	1.1
139.03963	0.5
141.01846	0.3
143.03398	2.8
149.04443	0.3
153.12787	0.4
161.04453	3.2
163.11250	2.0
165.12779	3.3
166.13086	0.4
167.03485	0.4
167.14394	0.3
169.12251	0.9
171.10178	2.2
175.11044	0.3
177.12772	0.6
179.05536	4.3
179.14293	0.9
181.12204	1.7
183.13832	0.9
193.12347	0.4
193.15872	1.0
195.13828	1.8
197.11771	9.6
198.12151	0.2
199.06020	0.3
207.10231	0.3
209.11803	0.8
211.13358	2.7
217.07196	0.4
221.06630	2.3
221.11829	0.6
221.15401	1.1
223.13284	1.6
223.16725	0.3
227.12810	0.4
229.19591	0.4
229.81735	0.3
233.15390	0.7
235.08205	5.2
239.16322	0.3
247.08533	0.2
247.20615	4.0
251.16411	0.7
253.09264	1.2
255.23257	0.3
259.08453	0.3
263.07660	0.4
263.20209	1.0
266.07751	0.2
273.18622	2.0
277.21713	43.4
278.22058	3.1
287.07727	1.3
291.19662	49.0
292.19992	3.4
293.21204	0.6
295.22714	0.3
301.09430	0.3
305.08682	2.0
309.20703	100.0
310.21036	7.0
323.09827	0.9
323.61981	0.2
327.21771	0.3
328.21948	0.4
329.23157	0.4
333.20694	0.8
335.03644	0.3
351.21631	0.6
379.12488	3.2
397.13498	30.9
398.13846	1.8
399.14389	0.3
415.14594	11.0
416.14838	0.8
472.61224	0.3
492.85526	0.3
572.87054	0.3
596.63641	0.3
671.32806	0.3
671.45874	0.3
675.35931	0.8
689.34027	1.0
707.34644	1.4
1001.02173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08279	2.0
69.03272	1.8
71.01247	34.7
71.51585	2.2
72.99193	3.7
73.02807	5.9
75.00718	1.9
76.90809	1.8
80.96423	3.1
81.03299	2.6
83.01218	2.8
85.02820	9.6
87.00751	7.6
89.02315	30.0
95.01263	2.2
96.95900	2.0
97.02840	5.8
101.02322	25.5
111.04363	2.0
111.08019	3.0
111.88773	2.0
113.02329	14.5
116.92763	12.7
119.03389	6.4
125.02342	12.5
125.09581	3.4
143.03333	3.9
161.04459	6.5
171.10167	45.5
172.10344	2.7
179.05537	10.2
195.13818	4.7
209.11734	2.7
211.13316	35.9
235.08174	10.2
251.16464	8.0
253.09195	3.6
277.21725	100.0
278.22162	10.6
281.51205	2.1
287.07727	2.9
289.17975	5.2
291.19672	72.4
292.19943	5.4
293.21298	18.4
305.08813	3.5
309.20743	25.5
310.21201	2.6
323.09940	2.2
379.12396	17.9
397.08405	4.1
397.13504	80.8
398.13760	7.0
415.14679	16.9
502.88101	2.0
671.32202	4.8
675.35455	5.7
689.34283	2.7
843.32874	2.3
967.46552	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	965.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	2.0
73.02808	0.4
76.08620	0.3
78.95775	5.0
85.02814	0.5
85.20229	0.4
87.00759	0.4
89.02310	2.0
96.95921	0.5
97.02847	0.5
101.02311	1.4
110.98411	4.4
113.02304	0.5
125.02299	0.5
125.09563	0.5
141.01631	1.4
167.01031	1.5
171.10156	0.5
179.05528	0.6
185.02142	3.3
185.11765	0.7
197.47267	0.3
205.57895	0.4
211.13455	0.6
223.13356	0.6
233.15448	0.4
235.13414	0.5
249.14896	0.6
277.21762	3.1
279.23279	100.0
280.23602	9.4
289.18173	2.1
291.19632	3.9
293.21207	6.5
294.21640	0.7
307.19196	3.1
309.20770	0.6
326.87839	0.4
349.08536	0.5
352.12949	0.3
397.13535	3.6
398.14056	0.5
415.14557	1.2
447.25156	45.7
448.25546	4.7
550.96515	0.5
689.33868	1.9
726.08765	0.4
947.53851	0.7
965.53931	1.3
966.55273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99674	0.3
69.03333	1.4
69.32513	0.2
71.01254	16.7
71.04887	1.3
71.51266	0.2
72.99174	1.2
73.02820	2.1
75.00732	0.5
75.88394	0.2
78.95775	0.3
80.02545	0.7
81.03329	1.6
83.01261	1.6
83.04892	0.9
83.68396	0.2
85.02820	3.6
87.00751	3.7
89.02317	14.7
93.03329	0.2
95.01265	1.8
95.04911	1.1
97.02833	2.9
97.06455	0.6
98.03613	0.4
99.00757	1.1
99.04403	0.5
99.08031	0.2
101.02323	12.9
102.02637	0.2
106.04131	0.7
107.04902	0.4
109.02810	0.6
109.06473	7.1
111.00770	0.4
111.04398	2.2
111.08017	1.0
112.05206	0.4
113.02331	7.3
115.03864	0.4
119.03383	4.0
121.06448	0.3
121.10044	0.2
123.04396	0.6
123.08052	1.1
124.01559	0.3
125.02332	4.9
125.06010	0.2
125.09576	0.6
127.03862	0.2
127.07539	0.9
129.01918	0.2
129.09027	0.2
131.03395	0.8
133.04942	0.3
133.10164	0.2
135.08015	0.6
135.11696	0.2
137.05989	0.2
137.09576	0.9
139.03896	0.4
141.01834	0.3
141.09099	0.2
143.03387	2.7
143.10704	0.9
145.06528	1.2
149.04489	0.2
149.05957	0.3
149.09618	0.7
151.11189	0.6
159.08054	0.2
161.04459	3.9
161.09685	0.2
163.11194	1.3
167.03377	0.6
167.10670	1.7
171.10179	0.3
177.09198	0.2
177.12781	0.6
179.05540	5.5
179.10713	0.8
180.05931	0.2
181.12268	0.6
185.11806	1.1
188.12035	0.2
188.13602	0.2
191.14383	1.7
193.12289	0.2
195.13846	1.9
199.06021	0.4
207.10133	0.6
214.41290	0.2
215.14333	0.3
217.07123	0.5
217.15930	0.4
219.05339	0.2
221.06613	1.6
225.11169	0.3
229.24464	0.2
233.22733	0.3
235.08203	4.2
235.13286	0.4
243.17390	0.3
243.87305	0.2
245.06662	0.4
245.19099	5.6
246.19382	0.4
249.14917	0.2
251.16441	0.5
253.09355	0.9
259.08231	0.2
261.18735	0.3
263.07571	0.8
271.16995	1.3
273.14856	0.4
275.20206	0.4
277.21716	47.4
278.22025	3.5
279.23257	1.5
287.07755	1.4
287.16562	1.7
289.18091	100.0
290.18430	8.2
291.19626	1.0
291.23007	0.3
293.21198	0.9
303.19540	0.3
305.08795	1.7
307.19147	8.8
308.19498	0.6
309.20877	0.3
323.09711	1.2
327.33966	0.2
331.19220	1.0
361.11639	0.3
379.12469	4.6
380.12717	0.4
391.06580	0.2
397.13492	35.2
398.13815	2.5
415.14563	9.7
415.19012	0.2
416.14896	0.8
430.38217	0.2
447.25369	1.0
493.24469	0.5
580.11249	0.2
657.34418	0.2
669.31165	1.4
676.36707	0.2
687.32397	2.3
688.32288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99674	0.3
69.03333	1.4
69.32513	0.2
71.01254	16.7
71.04887	1.3
71.51266	0.2
72.99174	1.2
73.02820	2.1
75.00732	0.5
75.88394	0.2
78.95775	0.3
80.02545	0.7
81.03329	1.6
83.01261	1.6
83.04892	0.9
83.68396	0.2
85.02820	3.6
87.00751	3.7
89.02317	14.7
93.03329	0.2
95.01265	1.8
95.04911	1.1
97.02833	2.9
97.06455	0.6
98.03613	0.4
99.00757	1.1
99.04403	0.5
99.08031	0.2
101.02323	12.9
102.02637	0.2
106.04131	0.7
107.04902	0.4
109.02810	0.6
109.06473	7.1
111.00770	0.4
111.04398	2.2
111.08017	1.0
112.05206	0.4
113.02331	7.3
115.03864	0.4
119.03383	4.0
121.06448	0.3
121.10044	0.2
123.04396	0.6
123.08052	1.1
124.01559	0.3
125.02332	4.9
125.06010	0.2
125.09576	0.6
127.03862	0.2
127.07539	0.9
129.01918	0.2
129.09027	0.2
131.03395	0.8
133.04942	0.3
133.10164	0.2
135.08015	0.6
135.11696	0.2
137.05989	0.2
137.09576	0.9
139.03896	0.4
141.01834	0.3
141.09099	0.2
143.03387	2.7
143.10704	0.9
145.06528	1.2
149.04489	0.2
149.05957	0.3
149.09618	0.7
151.11189	0.6
159.08054	0.2
161.04459	3.9
161.09685	0.2
163.11194	1.3
167.03377	0.6
167.10670	1.7
171.10179	0.3
177.09198	0.2
177.12781	0.6
179.05540	5.5
179.10713	0.8
180.05931	0.2
181.12268	0.6
185.11806	1.1
188.12035	0.2
188.13602	0.2
191.14383	1.7
193.12289	0.2
195.13846	1.9
199.06021	0.4
207.10133	0.6
214.41290	0.2
215.14333	0.3
217.07123	0.5
217.15930	0.4
219.05339	0.2
221.06613	1.6
225.11169	0.3
229.24464	0.2
233.22733	0.3
235.08203	4.2
235.13286	0.4
243.17390	0.3
243.87305	0.2
245.06662	0.4
245.19099	5.6
246.19382	0.4
249.14917	0.2
251.16441	0.5
253.09355	0.9
259.08231	0.2
261.18735	0.3
263.07571	0.8
271.16995	1.3
273.14856	0.4
275.20206	0.4
277.21716	47.4
278.22025	3.5
279.23257	1.5
287.07755	1.4
287.16562	1.7
289.18091	100.0
290.18430	8.2
291.19626	1.0
291.23007	0.3
293.21198	0.9
303.19540	0.3
305.08795	1.7
307.19147	8.8
308.19498	0.6
309.20877	0.3
323.09711	1.2
327.33966	0.2
331.19220	1.0
361.11639	0.3
379.12469	4.6
380.12717	0.4
391.06580	0.2
397.13492	35.2
398.13815	2.5
415.14563	9.7
415.19012	0.2
416.14896	0.8
430.38217	0.2
447.25369	1.0
493.24469	0.5
580.11249	0.2
657.34418	0.2
669.31165	1.4
676.36707	0.2
687.32397	2.3
688.32288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.3
70.83575	0.5
70.83914	0.5
71.01253	15.2
72.99171	1.3
73.02834	2.3
75.00764	0.5
78.95798	0.4
81.03293	0.4
83.01250	1.1
83.04887	0.7
85.02822	3.2
87.00757	3.5
89.02319	12.8
93.03322	0.3
95.01260	1.0
95.04890	0.8
97.02827	2.3
97.06464	0.3
98.40083	0.3
99.00739	0.9
99.04437	0.3
101.02325	10.3
109.06446	0.7
111.00771	0.4
111.08040	6.5
113.02337	6.8
113.09619	0.8
115.00256	0.4
119.03392	3.6
125.02345	4.4
131.03391	0.8
137.09625	0.6
141.01807	0.4
143.03427	2.2
149.09605	0.4
151.66690	0.3
152.99474	0.4
161.04463	2.7
163.11220	0.5
165.12738	0.3
167.10681	1.9
175.02420	0.5
177.12785	1.3
179.05530	4.7
179.10678	1.4
179.14267	0.6
195.13846	11.5
196.14293	0.7
199.06050	0.3
203.14355	0.4
205.16032	0.4
206.68011	0.3
211.13391	0.6
217.07039	0.5
219.13835	0.3
221.06602	2.1
223.13359	4.8
224.13818	0.6
225.14912	0.6
228.13631	1.0
235.08179	4.1
247.20621	1.7
253.09299	0.8
255.23251	1.1
256.13171	1.1
263.07718	0.5
265.21753	0.4
273.18610	1.0
275.20154	4.5
276.20410	0.4
277.21689	0.9
279.42010	0.3
287.07675	0.9
289.18030	1.0
290.11960	0.3
291.19669	83.1
292.20001	6.0
293.21225	100.0
294.21536	7.1
305.08762	1.4
307.19223	1.1
317.21268	0.5
323.09818	1.1
379.12387	2.6
380.12054	0.4
396.37610	0.3
397.13498	31.4
398.13873	2.6
415.14572	12.8
416.14883	1.0
483.27322	0.4
567.40887	1.0
636.26801	0.4
654.27429	0.4
671.32874	2.9
672.33508	0.5
673.34277	1.3
689.33771	6.7
690.34521	1.0
691.35468	2.3
896.48431	0.7
965.56000	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	963.6865
Annotation	Unknow
Peak:m/z	Relative Intensity
74.50961	0.2
80.04909	0.4
81.03329	6.7
83.04900	17.4
84.05202	0.4
100.07549	0.5
105.14018	0.2
107.06022	0.3
108.04446	0.3
125.07085	0.9
126.05461	0.5
137.16309	0.2
143.08092	0.4
151.63206	0.2
157.13422	0.3
180.04245	0.3
207.14955	1.1
224.17599	2.8
225.16034	11.5
242.18716	0.6
309.21783	0.9
324.26575	0.5
333.22754	0.6
341.29187	1.0
367.27032	0.9
375.19186	0.3
418.22614	0.3
419.82916	0.3
433.31821	1.1
450.34662	1.6
451.32904	9.0
452.33313	1.0
511.75500	0.3
539.43030	0.3
550.43439	0.4
567.45844	0.7
593.43878	0.3
617.15015	0.3
676.51282	0.4
677.49658	2.0
678.49469	0.3
776.60022	0.5
885.64917	0.5
903.66510	100.0
904.66827	27.9
948.14105	0.3
954.52527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.3
69.03321	2.1
71.01250	17.7
71.09647	0.5
72.01576	0.3
72.99172	1.5
73.02816	2.5
75.00730	0.4
75.94868	0.2
80.32919	0.2
81.03319	0.7
83.01248	2.0
83.04884	0.5
84.02028	0.3
85.02292	0.3
85.02819	8.9
87.00745	3.5
89.02313	14.1
91.03869	0.3
95.01262	1.7
95.04920	0.3
97.02825	3.8
97.06476	1.8
99.00784	1.3
101.02319	12.0
102.02669	0.2
109.02798	0.5
111.04380	0.6
113.02325	6.1
115.03870	0.4
119.03384	3.4
119.08494	0.3
123.08057	0.2
125.02330	5.3
125.05914	0.2
125.09605	0.6
127.11185	1.2
129.01820	0.2
131.03351	0.6
133.04964	0.4
137.02330	0.3
137.09610	2.0
139.03922	0.5
141.01706	0.3
143.03381	2.1
145.04958	0.5
149.04416	0.5
155.10686	0.6
161.04459	2.1
165.12770	0.3
167.03447	0.3
167.14368	0.4
171.10175	20.5
172.10486	0.6
174.01469	0.2
177.12764	0.4
179.05533	2.9
181.12238	0.3
183.13850	1.8
185.04396	0.3
185.11723	0.4
193.12221	0.7
195.13693	0.2
197.11781	0.4
199.05948	0.3
201.11273	0.9
203.05533	0.3
203.10843	0.3
209.11794	1.0
211.13335	11.1
212.13687	0.6
217.07138	0.3
221.06601	1.2
221.11789	2.0
229.14391	7.2
230.14780	0.6
235.08205	4.1
239.12717	1.2
247.20630	0.5
253.09232	0.8
255.23264	34.9
256.23596	2.0
263.07797	0.4
269.25064	0.3
287.07632	1.1
291.19672	3.2
305.08740	1.4
309.20700	7.7
323.09723	0.8
327.21753	100.0
328.22076	7.1
344.75180	0.2
358.70416	0.2
379.12427	1.0
397.13480	52.4
398.13885	3.6
415.14554	15.9
416.14960	1.0
534.03912	0.2
565.44897	2.1
566.45020	0.4
653.37506	5.7
654.37878	1.0
707.34949	5.4
708.35437	0.8
725.35883	2.5
726.35736	0.3
881.56219	0.3
963.59082	1.5
964.59125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56120	0.3
71.01249	0.8
71.51473	0.4
75.00730	0.5
78.95776	7.6
88.98656	0.5
101.02316	0.3
104.97351	0.3
109.89843	0.2
110.47223	0.2
110.98414	5.8
117.06963	0.5
127.07551	0.2
141.01588	1.1
152.99490	0.4
167.01070	3.0
175.02376	0.6
185.02124	4.1
209.11765	0.4
211.13377	0.7
223.13356	0.3
233.22688	0.7
259.20563	0.7
275.20178	0.5
277.21713	100.0
278.22049	10.4
293.21143	0.3
328.18927	0.3
397.13467	0.5
407.24612	0.3
445.23596	52.3
446.23923	6.9
486.35312	0.3
558.66608	0.3
746.65369	0.3
943.53589	0.3
954.31274	0.3
961.51770	0.9
962.53290	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	961.538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99719	0.4
69.03331	0.9
69.79991	0.5
69.80412	1.2
71.01257	15.6
72.99173	1.9
73.02818	2.6
75.00746	0.5
81.03333	0.7
83.01266	1.9
83.04906	0.4
85.02347	0.4
85.02830	4.2
87.00749	3.7
89.02323	12.2
95.01263	1.4
97.02834	2.2
99.00764	0.6
101.02324	12.3
111.04277	0.3
113.02332	7.0
119.03387	3.3
125.02337	5.2
127.03799	0.4
131.03387	0.6
133.05006	0.4
137.02385	0.5
139.03886	0.8
141.01622	1.9
143.03374	2.3
155.10670	0.4
161.04443	3.0
165.12776	0.5
165.85880	0.3
167.03329	0.3
167.10678	0.4
167.14360	0.9
173.56253	0.3
179.05518	3.3
183.13840	7.7
185.04489	0.4
193.12268	2.0
199.06013	0.5
211.13344	100.0
212.13696	6.2
217.07118	0.9
221.06586	1.3
235.08192	5.0
245.06786	0.3
253.09305	0.9
253.14474	0.6
259.08179	0.6
263.07730	0.5
277.21735	46.2
278.22037	4.1
287.07800	1.6
289.17966	0.4
293.21243	0.4
294.92877	0.3
301.09265	0.5
305.08768	1.7
307.18912	0.4
319.01880	0.4
319.23270	0.4
323.09763	1.2
368.57715	0.4
379.12479	12.2
380.12653	0.7
397.13525	35.3
398.13806	2.8
415.14615	7.5
415.19745	0.5
416.14594	0.5
429.21729	0.5
499.21313	0.3
535.98859	0.3
591.17627	0.7
591.26587	9.2
592.26849	1.5
609.27728	7.9
610.28168	0.9
657.34692	1.9
675.36084	2.3
676.36267	0.5
792.57568	0.4
869.48853	1.6
966.33569	0.4
984.93756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	0.6
69.03314	1.3
69.80318	1.7
71.01258	15.8
72.99172	1.6
73.02821	1.9
75.00747	0.6
76.21539	0.4
81.03340	0.7
83.01246	1.3
85.02822	4.0
87.00747	4.4
89.02320	13.0
91.03900	0.4
95.01255	1.6
97.02832	2.8
99.00746	1.2
101.02328	13.6
109.02889	0.4
113.02332	7.3
115.03907	0.4
119.03381	3.8
121.98229	0.4
125.02338	5.3
126.94059	0.4
131.03346	0.6
139.03871	0.5
141.01706	0.4
143.03386	2.5
161.04462	3.4
167.03372	0.6
167.14301	0.6
171.10185	0.5
179.05539	4.1
181.05032	0.6
183.13838	5.6
193.12238	1.8
199.06070	0.4
205.25737	0.4
211.13342	100.0
212.13676	4.8
217.07121	1.2
221.06621	1.3
235.08200	5.1
253.09340	0.6
255.23331	0.7
259.08160	0.8
275.20230	0.6
277.21732	55.9
278.22089	5.1
287.07730	1.4
289.18213	0.5
291.23233	0.5
305.08728	2.1
323.09802	1.3
379.12454	12.9
380.13040	0.8
397.13522	46.8
398.13724	3.4
415.14548	8.8
416.15005	0.9
586.74481	0.5
591.26563	8.0
592.27136	0.8
609.27551	4.3
610.28442	0.7
651.68622	0.5
657.34998	2.3
658.35223	0.6
675.36133	4.8
676.36017	0.9
869.48877	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	961.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37949	1.9
93.03342	5.8
109.02838	1.4
129.19019	1.1
137.02332	6.3
141.03464	0.7
163.00270	1.2
199.03938	1.4
214.02606	1.2
215.03537	1.3
227.03482	2.6
229.01392	5.0
229.04933	1.8
230.02182	1.9
241.01346	2.3
242.02158	11.1
243.02956	27.5
244.03484	2.8
245.04524	2.7
253.01382	21.6
254.01920	2.6
255.02960	4.9
257.00925	3.0
257.04559	2.4
258.01682	11.5
259.02454	20.5
260.02829	1.3
267.02823	1.3
269.00793	2.9
270.01593	2.8
271.02466	52.1
272.03183	28.8
273.03943	7.7
281.00888	17.5
282.01666	4.6
283.02448	28.7
284.02917	2.9
285.04010	7.7
286.04471	1.0
295.02444	2.8
298.01199	4.0
299.01926	29.3
300.02539	1.9
301.03516	68.6
302.03922	6.7
311.01956	3.3
313.03531	10.5
315.05124	1.4
323.02005	1.6
325.03610	3.3
329.03024	30.6
330.03497	2.8
331.04611	34.9
332.04828	2.2
337.03305	1.2
341.02988	2.8
343.04147	1.9
355.04407	2.4
359.03964	0.9
364.02106	1.7
365.02985	1.9
373.05530	3.8
377.02863	1.5
378.03952	2.5
379.04269	1.7
389.02841	7.0
391.06839	1.2
401.05142	3.4
403.06717	2.5
407.04126	2.2
419.06326	6.5
420.06415	0.9
421.07571	2.4
437.05115	4.3
539.08252	1.1
583.05121	2.0
601.06055	2.0
613.06329	2.8
614.06464	1.0
631.07135	3.0
661.07623	1.3
703.09369	3.4
733.10498	2.6
823.13586	5.5
824.12610	1.1
841.12653	20.8
842.13251	4.7
871.13702	6.7
943.15649	4.8
944.15131	1.5
961.16718	100.0
962.17291	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	958.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19933	13.7
117.03409	1.4
139.86180	1.2
141.02623	1.4
183.04399	2.0
211.03831	3.0
227.03473	6.0
239.03328	1.7
244.82465	1.2
255.02974	9.8
271.02408	2.3
283.02469	100.0
284.02875	8.0
301.03455	1.6
311.05200	1.3
325.03372	3.1
378.06021	1.3
403.06699	28.6
404.07169	1.7
406.05573	2.2
410.76276	1.6
526.09918	56.0
527.10248	8.7
768.80725	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	961.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09436	4.5
93.03331	2.5
137.02319	3.6
141.08095	1.7
215.03429	2.7
227.03435	2.6
227.63351	1.7
229.01411	6.8
230.01872	2.6
241.01367	5.0
242.02148	16.4
243.02916	38.9
244.03468	3.1
245.04652	1.8
255.02991	5.9
258.01697	6.0
259.02429	12.6
270.01654	5.6
271.02493	45.7
272.03116	17.6
273.04059	8.4
281.00629	2.9
283.02460	42.5
284.02975	4.5
285.03909	5.7
297.04037	2.6
299.01935	26.8
300.02429	2.2
301.03534	53.6
302.03827	2.1
311.02054	5.4
313.03445	7.1
325.03452	2.4
329.02963	31.0
330.03360	2.2
331.04532	10.3
343.35886	2.0
365.02780	3.8
373.05652	3.4
377.02676	3.2
378.03952	4.5
379.04404	3.4
389.02905	1.9
401.05206	2.9
407.04053	6.9
419.05905	3.3
437.05209	6.1
583.04541	3.7
613.06317	5.0
807.93884	2.1
823.13831	5.4
841.12610	17.9
842.13196	4.1
871.13312	3.2
943.15265	2.8
961.16705	100.0
962.17041	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	953.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11124	0.4
69.03333	0.9
69.84435	1.4
71.01253	65.6
72.01575	0.8
72.99179	30.2
73.02804	1.2
85.02834	1.5
87.00746	1.1
89.02321	4.6
89.25102	0.4
89.41334	0.5
96.95898	1.1
97.02834	1.6
97.06493	1.2
98.19852	0.5
99.00784	0.5
99.92419	0.5
101.02328	4.1
106.68974	0.4
111.08031	1.8
113.02322	3.0
113.09605	1.5
114.93308	1.8
115.00256	30.1
115.07526	0.7
116.92756	4.2
117.01825	0.7
117.92765	0.7
119.03397	1.1
123.04422	0.4
125.09624	0.8
127.11153	0.8
133.01326	23.4
139.11177	0.4
141.09143	1.2
151.11159	0.6
153.12691	0.9
155.10768	0.5
161.04414	2.1
165.12750	3.7
167.10698	0.7
167.14319	1.2
169.12221	1.0
171.10281	0.5
179.05476	0.8
179.14314	1.0
181.12259	3.0
183.13789	1.3
193.12282	1.6
193.15883	0.5
195.13747	2.3
196.14172	0.6
197.11729	4.2
209.11827	0.5
211.13339	3.0
221.15421	1.1
227.12730	0.7
229.14555	0.6
235.08180	3.7
241.14410	0.5
247.20683	4.3
248.21112	0.7
253.09264	5.7
255.15868	1.0
255.23267	1.2
256.23651	0.9
263.20047	0.9
265.21570	0.9
273.18576	2.7
277.21664	0.6
281.21164	1.8
291.19675	40.4
292.19968	4.1
293.21353	0.8
295.22818	2.8
296.23068	4.0
297.23456	1.9
298.23642	0.6
307.19144	1.1
308.46158	0.4
309.20706	100.0
310.21066	7.9
311.22266	1.9
345.20676	0.6
397.13464	1.3
398.13858	1.8
399.13992	1.9
400.14362	0.7
527.28638	4.2
545.29675	22.6
546.29773	3.3
695.40289	0.8
743.49591	0.5
768.43073	1.7
801.47900	1.2
819.48895	3.8
820.49628	0.9
837.50018	24.9
838.50305	5.1
935.49982	10.9
936.49976	2.8
953.51367	16.1
954.51471	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	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	0.2
69.03310	0.7
71.01254	13.1
72.99178	1.4
73.02808	1.9
75.00733	0.4
79.64671	0.2
81.03320	0.7
83.01252	1.4
83.04905	0.3
85.02820	2.9
85.99947	0.2
87.00747	3.4
87.04350	0.2
89.02317	11.5
90.02667	0.2
92.60026	0.2
93.03359	0.2
95.01260	0.9
95.04903	0.2
97.02838	2.4
97.06478	0.2
99.00752	0.7
99.04388	0.2
101.02319	10.3
109.02859	0.2
111.00743	0.4
111.04388	0.3
111.08035	0.4
112.01537	0.2
113.02330	5.7
114.02615	0.2
119.03379	3.3
121.10135	0.3
123.00758	0.2
125.02333	5.0
127.03906	0.3
131.03407	0.6
133.04976	0.3
137.02328	0.2
139.03976	0.2
140.77101	0.2
141.01836	0.2
141.09100	0.2
143.03409	2.1
149.04471	0.3
157.86243	0.2
161.04449	2.4
167.03397	0.4
167.10684	0.2
169.04910	0.2
171.10175	0.8
174.95500	0.2
179.05536	4.0
179.14337	0.5
181.12166	0.2
189.87491	0.2
195.13850	6.2
196.14386	0.4
203.05443	0.2
205.12198	0.5
205.15822	0.3
211.13443	0.4
217.07127	0.2
221.06581	1.7
223.13362	4.3
224.13766	0.3
225.14815	0.3
228.13637	0.6
231.21075	0.3
233.22691	0.2
235.08200	4.6
236.08633	0.2
245.06558	0.2
253.09300	1.1
256.13120	1.0
259.08231	0.3
259.20480	0.2
263.07660	0.3
265.21863	0.3
269.06467	0.2
275.20145	5.8
276.20496	0.6
277.21716	37.8
278.22055	3.0
287.07779	1.6
291.23096	0.3
293.21222	100.0
294.21558	8.0
296.76321	0.2
305.08789	1.8
306.08804	0.2
317.21265	0.3
323.09738	0.7
335.22183	0.3
361.11432	0.3
379.12436	3.3
380.12863	0.3
397.13498	32.3
398.13824	2.3
415.14575	10.9
416.14874	0.9
468.18268	0.2
585.88208	0.2
636.26007	0.3
673.34534	1.0
675.35620	0.8
691.35150	1.1
692.36194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.0
69.75686	1.1
71.01255	13.6
72.99176	0.7
73.02818	2.1
75.00732	0.5
81.03327	0.7
83.01261	1.7
83.04910	0.5
85.02821	3.7
87.00751	3.4
89.02322	12.4
89.82236	0.2
90.02637	0.3
91.03891	0.3
95.01263	0.9
96.95876	0.2
97.02827	2.3
97.06467	0.3
98.20455	0.2
99.00755	0.8
99.04406	0.3
99.08050	0.3
101.02325	10.7
106.60523	0.2
111.04418	0.3
113.02334	5.0
113.09615	1.6
115.03870	0.3
119.03381	3.7
121.02867	0.3
125.02347	5.1
127.03897	0.4
131.03407	0.4
133.04971	0.3
135.91762	0.2
139.03911	0.4
141.01880	0.2
143.03401	1.7
161.04468	2.7
167.03464	0.3
169.12398	0.2
177.12723	0.6
179.05559	2.5
179.14307	0.8
181.12222	0.4
185.04515	0.2
195.13840	13.8
196.14186	0.6
199.06090	0.3
217.07123	0.4
219.04968	0.2
221.06580	1.0
235.08206	5.5
236.08485	0.3
245.06575	0.3
251.23792	0.4
253.09377	0.9
255.23268	33.5
256.23615	2.2
259.20560	0.4
263.07700	0.7
277.09354	0.3
277.21716	12.3
278.22000	0.9
287.07736	2.0
295.22772	100.0
296.23138	8.4
305.08774	2.4
323.09732	0.6
325.50739	0.2
379.12433	0.4
397.13498	60.9
398.13803	4.4
415.14569	18.4
416.14767	1.2
427.46799	0.2
432.53265	0.2
445.60254	0.2
639.55573	0.3
653.37592	6.0
654.37756	0.8
744.18933	0.2
826.28955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	4.7
71.32004	1.3
73.02886	1.6
75.00809	1.5
79.95679	0.8
85.02898	1.3
87.00849	2.0
89.02425	3.0
95.05000	0.6
97.02930	1.3
101.02325	3.4
108.02145	1.6
109.02961	1.9
111.00766	3.7
113.02421	1.2
115.00326	1.1
125.02417	1.4
125.09698	1.9
129.01945	0.6
144.05807	0.9
161.04564	0.8
163.00510	0.7
163.11380	1.0
164.11887	0.9
171.10213	5.5
173.04634	1.0
175.02515	1.2
179.97426	0.7
187.04050	1.1
188.04732	3.5
190.99910	0.7
191.03558	0.8
197.11784	4.7
199.13474	1.2
209.11740	5.0
210.12204	1.4
211.13484	1.6
214.02754	0.8
215.03592	3.2
215.12901	1.5
216.04303	1.4
219.03113	1.7
227.03583	2.4
227.12949	0.7
229.01355	9.8
229.05032	1.0
230.02271	2.3
231.03081	1.9
240.24829	0.7
241.01494	1.0
242.02342	2.6
243.02975	15.0
244.03729	20.7
245.04332	1.2
250.48283	0.7
253.24229	0.8
255.03148	2.8
256.03821	1.6
257.00928	3.8
258.01663	19.0
258.04266	0.9
259.02466	26.6
260.02844	2.0
270.01776	2.1
271.02466	44.5
272.03247	83.3
273.00784	1.4
273.03778	8.6
283.02530	3.4
284.03366	1.5
285.00531	19.4
285.04132	6.0
286.00964	1.9
287.01968	87.3
288.02298	4.5
289.18118	1.3
291.19778	3.6
298.01212	1.5
299.02014	6.9
300.02731	20.3
301.03519	80.1
302.03885	4.8
304.02286	4.9
307.19305	0.9
309.20694	8.9
310.21082	1.3
313.03470	4.8
315.05112	1.6
325.19836	0.8
329.03088	2.1
330.03821	13.7
331.04584	33.4
332.05002	2.4
341.23459	1.8
343.04623	1.7
361.05899	0.9
385.05792	0.9
397.13531	3.8
402.06049	0.9
403.06723	2.5
415.14655	1.6
419.06268	3.3
420.06967	52.4
421.07727	100.0
422.08090	7.6
616.19238	0.7
796.41553	1.6
797.42230	1.6
829.32953	6.5
830.32916	0.9
854.34637	0.8
859.32898	2.4
949.36218	30.3
950.37030	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	947.595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.6
70.11933	1.3
71.01255	20.8
72.01601	0.3
72.99165	1.9
73.02824	3.5
75.00751	0.7
78.91910	0.3
78.95753	0.3
80.96394	0.5
81.03339	1.0
83.01259	2.8
83.04907	0.4
85.02818	5.2
87.00750	4.9
89.02317	18.7
90.33223	0.3
95.01277	1.7
96.95877	0.5
97.02827	4.0
99.00741	1.3
99.04405	0.3
101.02326	17.7
111.00774	0.6
111.04374	0.6
113.02331	8.5
113.09614	9.0
115.03837	0.3
119.03389	5.4
121.02808	0.6
125.02341	7.2
129.01862	0.3
131.03424	0.6
133.04962	1.0
139.03897	0.4
139.11206	0.9
141.01720	0.3
143.03409	3.0
149.04456	0.5
161.04486	4.0
163.16730	0.3
167.03435	0.6
167.10733	1.4
177.12752	0.7
179.05553	3.7
179.10669	1.2
185.04433	0.4
195.13826	1.8
199.05975	0.4
203.05571	0.5
209.11792	0.7
217.07133	0.6
221.06586	2.0
225.00714	0.4
235.08180	9.9
236.08521	0.3
245.06606	0.5
249.22163	1.1
253.09444	1.3
255.23271	53.3
256.23611	3.2
263.07736	0.8
269.24847	0.4
277.09372	0.5
277.21594	0.9
278.22092	0.5
287.07748	3.0
293.21225	55.1
294.21600	3.9
305.08835	4.3
323.09833	0.8
348.17065	0.3
379.12408	0.6
397.13486	100.0
398.13889	5.1
403.03931	0.3
415.14557	27.5
416.15106	1.7
618.50073	0.3
653.37592	7.5
654.37775	0.8
947.50580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.449
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24127	1.5
69.03320	4.5
71.01255	21.6
71.04916	2.5
72.99168	4.4
73.02826	3.4
73.03202	1.5
73.75332	1.6
75.00741	4.4
81.03313	2.5
83.01250	2.8
83.04900	4.4
85.02813	5.2
87.00754	15.2
89.02321	9.3
95.04890	1.9
96.13026	2.1
96.95873	4.4
97.02815	4.5
97.06477	2.1
97.58205	1.4
99.00731	2.4
101.02325	10.0
102.75742	1.6
109.02854	2.0
109.06453	1.9
111.00759	3.4
113.02328	6.4
115.00254	18.3
116.00617	1.9
119.03384	3.9
121.02849	4.1
123.08054	2.5
125.02307	2.6
125.09576	4.5
127.07512	2.6
143.04610	1.5
151.11150	2.8
161.09595	3.0
171.10194	10.3
175.02408	25.6
176.02710	3.6
179.10680	7.0
185.11763	3.9
195.13924	1.8
197.11755	64.1
198.12080	2.5
207.10179	2.8
209.11751	21.9
210.12282	1.6
211.13326	6.0
221.11752	4.0
223.13306	1.8
225.11284	4.5
235.08228	2.7
241.10718	3.4
253.09233	2.6
265.58438	1.5
267.84637	1.7
271.02530	2.0
272.03546	1.9
279.96524	1.9
285.13321	1.9
289.18109	3.6
291.19577	1.9
306.07581	3.7
307.19202	7.8
325.20142	5.5
343.21283	2.8
397.13467	6.3
401.08777	2.7
504.11502	1.7
514.51910	1.7
691.16125	1.6
829.42517	11.7
869.41730	3.8
929.43689	6.4
947.44928	100.0
948.45514	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	945.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38293	10.5
87.30782	3.3
88.06441	3.0
92.97404	2.7
99.98526	3.2
121.02853	9.5
126.43166	3.0
137.34425	2.5
165.70236	2.8
170.32997	2.7
173.22911	2.6
229.01375	8.4
230.02119	3.6
238.94238	2.9
241.01431	6.7
242.02200	19.3
243.02921	43.5
244.03520	4.4
253.01482	13.7
255.02885	6.6
257.00790	5.9
258.01669	8.7
259.02444	18.1
269.01065	3.2
270.01645	5.0
271.02466	54.6
272.03214	28.9
273.03986	7.2
281.00925	13.3
282.01529	6.3
283.02518	55.8
284.03018	4.1
285.03952	4.3
299.01959	34.5
301.03482	54.7
302.03952	5.1
311.01987	6.8
313.03516	7.5
317.04059	3.4
329.03033	25.0
331.04636	13.0
365.03110	4.4
373.05515	5.2
377.06656	3.1
379.04501	3.1
407.03934	6.0
419.06067	6.2
437.05054	5.9
583.04901	4.2
703.09521	6.1
733.10052	5.2
823.14044	15.7
825.13580	21.8
855.13519	4.0
927.16626	5.4
945.17291	100.0
946.17670	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	945.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57977	2.6
69.31217	29.3
73.43918	2.6
87.87440	2.6
98.20663	3.3
100.40045	2.9
100.47807	3.0
115.58687	3.0
121.02835	9.5
211.03893	2.9
214.02451	3.8
227.03323	3.8
229.01323	6.3
241.01353	5.9
242.02078	19.1
243.02937	46.3
246.96802	3.1
255.02972	6.8
257.00916	4.1
258.01575	3.7
259.02435	7.9
269.00739	3.8
270.01599	5.6
271.02496	44.0
272.03094	20.7
273.03784	4.3
279.04013	3.2
283.02490	68.4
284.03110	6.5
285.04004	4.7
299.02005	36.2
301.03580	61.6
302.03937	6.3
311.02023	8.4
313.03537	7.5
315.56012	3.6
325.03333	6.1
329.02997	37.3
331.04788	5.4
341.03015	4.3
352.93143	3.2
376.62943	3.5
378.03589	4.8
401.04959	4.0
407.03992	6.0
437.05075	14.4
474.89789	3.2
543.52893	3.2
583.04871	4.8
613.06085	4.2
645.15656	3.5
823.13800	7.3
825.13043	18.1
852.28296	3.4
945.17230	100.0
946.17474	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	944.484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	49.5
72.99173	19.2
88.98681	20.7
89.02310	23.8
98.20588	40.4
101.02318	17.6
113.02335	29.0
116.92730	45.3
131.53482	14.8
223.13385	100.0
224.13768	71.0
225.13934	27.0
230.01083	14.9
277.21704	62.5
278.21970	34.0
279.22177	29.0
297.39859	14.1
381.37994	14.6
397.13330	27.0
398.13840	24.6
399.13925	27.9
574.19763	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	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03302	2.6
69.32681	7.8
69.33125	9.0
71.01253	21.3
72.99177	4.6
73.02829	2.5
75.00753	6.7
80.96401	2.2
83.01223	1.9
83.04886	2.3
85.02843	4.4
87.00768	4.1
88.98660	5.7
89.02326	6.7
95.01271	3.3
97.02838	10.1
97.06490	2.1
99.00756	24.4
101.02320	10.0
105.01824	14.3
110.03600	2.7
113.02310	6.7
125.02331	5.9
125.09615	6.9
142.02626	2.0
143.03378	2.4
145.40771	1.9
161.04500	3.4
163.11224	10.1
181.12268	20.1
199.13281	3.0
207.10205	53.6
220.79013	2.1
225.11281	88.1
226.11533	4.9
235.08022	3.8
243.12350	28.9
244.12807	2.8
267.12631	2.1
277.21729	58.6
278.21890	3.0
288.94998	2.3
309.20728	3.9
328.13876	1.8
330.07492	2.0
354.48434	2.1
379.12418	2.5
397.13492	13.4
415.14529	2.8
479.27658	2.2
527.19763	2.4
598.90900	2.6
605.24451	21.3
606.24921	2.8
623.25647	10.6
883.46954	100.0
884.47083	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	943.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.8
69.86574	2.2
69.86965	3.0
71.01255	14.1
72.99185	3.1
73.02816	2.4
75.00750	2.6
83.01243	1.9
85.02818	4.0
87.00756	6.8
88.98687	3.3
89.02320	7.4
95.01271	1.6
97.02834	7.8
97.06441	1.8
99.00757	19.2
101.02316	8.9
105.01817	8.9
109.06445	1.9
113.02332	4.7
125.02336	7.7
125.09595	5.7
132.44629	1.1
136.05130	1.2
142.02663	2.6
143.03415	1.5
157.90913	1.1
161.04472	1.8
163.11201	7.9
179.05478	1.1
181.12263	18.0
199.13324	4.3
207.10207	49.1
208.10579	1.6
225.11272	77.0
226.11589	3.1
235.08287	3.0
237.70129	1.2
243.12338	27.3
244.12517	1.2
263.07721	2.3
277.21707	47.2
278.22000	3.4
317.15997	3.3
323.22345	1.7
379.12247	1.2
397.13553	7.7
415.14612	1.9
443.19272	1.3
605.24481	27.7
606.25220	5.0
623.25574	25.5
624.25537	2.0
670.19489	1.1
883.46918	100.0
884.31299	1.7
884.47540	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	937.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03296	1.2
71.01253	100.0
72.01597	1.5
72.99181	41.2
73.02837	1.2
80.96392	1.0
85.02820	1.5
87.00750	2.5
88.55795	0.9
89.02329	5.0
96.95878	7.9
96.96871	1.1
97.06487	1.4
99.00742	2.0
99.92510	0.9
101.02322	4.8
111.08089	1.3
113.02354	2.8
113.09615	2.1
114.93287	1.3
115.00257	48.7
116.92757	4.0
118.91731	0.8
119.03436	1.5
119.67578	1.0
133.01321	41.3
134.27953	0.9
141.09171	1.1
151.82721	1.0
154.18735	0.9
161.04507	1.7
165.12717	2.2
167.14360	1.6
181.12277	2.5
193.12277	1.5
195.12331	1.0
195.13799	6.4
201.05966	0.9
211.13388	3.8
221.15512	1.9
223.13348	3.8
235.08156	3.1
247.20529	4.8
253.09261	12.8
273.18539	2.8
275.20187	4.1
281.21271	1.6
291.16309	1.5
291.19647	37.2
292.20029	3.7
293.21222	63.5
294.21521	4.6
307.18796	1.0
309.20709	93.4
310.21024	8.3
311.22366	0.9
391.20377	1.0
417.93387	1.0
453.98053	1.0
508.37949	1.2
527.28595	6.3
545.29675	30.0
546.30048	3.5
752.43799	3.7
821.50500	50.0
822.50769	15.3
877.58704	1.1
919.50470	17.6
920.51025	4.7
937.51782	30.6
938.51965	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	937.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70473	2.2
66.42477	2.1
71.01256	75.2
71.51424	2.9
72.99174	26.9
73.02811	3.2
77.99954	2.5
78.95774	2.7
87.00756	4.7
89.02320	5.5
92.30098	2.8
96.95894	16.3
101.02283	5.8
102.31520	2.2
114.93314	17.4
115.00262	18.3
116.92752	10.2
133.01346	7.9
137.28358	3.1
163.59041	2.4
171.10295	2.8
195.13872	5.1
228.13631	2.7
235.08229	4.0
247.20734	5.8
253.09250	9.7
291.19659	32.1
292.20193	3.7
293.21216	69.9
294.21613	6.7
309.20712	100.0
310.21103	8.1
527.28540	4.1
545.29663	34.3
748.34717	3.0
821.50317	29.3
822.50665	6.2
919.50330	14.2
920.49890	4.1
922.69946	2.9
937.51862	18.2
938.51959	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	937.517
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08109	0.8
67.88911	0.8
69.03322	0.9
71.01256	100.0
72.01586	1.3
72.99183	37.6
73.02824	1.6
77.63957	0.8
80.96391	1.1
85.02848	0.9
87.00742	2.3
89.02295	4.4
95.04955	1.3
96.95895	7.9
96.99177	0.9
98.95461	1.2
99.00772	1.6
101.02324	6.1
111.08010	1.2
113.02337	3.2
114.93304	1.0
115.00260	51.8
116.92738	2.9
117.01791	1.2
121.10132	1.0
133.01326	39.6
139.11195	1.0
161.04469	1.1
165.12820	2.4
167.14285	1.0
179.05437	0.8
179.14351	1.3
181.12355	2.9
195.13855	7.1
197.11772	1.3
203.57530	0.9
211.13351	3.2
221.15494	2.0
223.13309	4.2
225.14978	1.2
235.08092	2.1
237.14937	1.0
247.20633	3.6
253.09285	12.0
263.20218	1.3
265.21741	1.1
273.18600	2.5
275.20276	3.5
281.21167	1.2
291.19669	39.5
292.20050	3.2
293.21252	61.9
294.21591	4.3
309.20728	91.7
310.21051	7.1
405.84729	0.9
440.74493	0.9
527.28497	4.8
529.30188	1.4
545.29688	29.0
546.30078	3.3
585.42120	1.0
625.54565	1.2
752.43372	3.0
821.50586	47.3
822.50592	11.2
919.50580	15.5
920.50891	3.9
937.51801	28.3
938.51770	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	934.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	36.9
71.04926	4.3
71.51942	4.0
71.52347	5.6
73.02814	8.3
75.00745	7.9
78.27798	3.7
78.95736	5.1
79.95620	5.6
80.96381	7.2
83.01286	4.4
84.73878	5.0
85.02817	9.2
87.00751	15.3
89.02304	21.2
96.95860	6.5
97.02843	10.2
99.00737	11.0
101.02341	21.7
102.02561	4.0
111.00792	5.7
113.02322	14.9
115.00258	8.2
119.03380	5.4
125.02342	10.8
125.09608	5.2
163.11166	9.7
169.12338	6.8
169.66383	4.5
171.10173	33.0
172.10565	6.6
181.12268	18.4
185.11673	4.9
197.11757	18.4
198.12067	5.1
200.13660	5.4
201.11255	10.1
207.10237	21.5
208.10550	11.7
209.11754	12.0
211.13409	9.4
211.15190	4.3
221.06740	4.4
225.11320	36.8
226.11569	12.2
227.12921	6.0
243.12323	13.0
291.19724	22.3
292.19971	15.4
293.21143	4.9
307.19345	4.9
309.20581	41.6
310.21075	25.1
311.22070	13.3
327.21625	10.5
397.13354	28.0
398.13901	11.0
415.14496	6.6
424.80515	5.0
454.07230	5.1
624.25580	5.9
774.48285	4.9
837.08521	5.1
916.46387	12.2
934.47162	100.0
935.47601	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	935.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46461	0.5
66.20461	0.4
68.17982	0.5
69.03336	0.8
71.01259	4.7
71.52847	0.5
72.05590	0.4
72.99202	0.6
73.02830	0.6
81.03321	0.6
83.01274	0.6
83.04896	1.1
85.02814	2.5
87.00785	1.0
89.02329	3.3
93.03400	0.7
97.02844	0.9
97.06460	0.9
101.02341	2.7
111.08067	0.8
113.02321	2.4
116.92779	0.5
119.03403	1.4
125.02354	1.4
137.09599	1.1
143.03432	0.7
149.57751	0.4
161.04480	0.8
163.11180	0.8
165.12756	23.1
166.13124	0.7
171.10179	6.4
172.10558	0.5
179.05496	0.6
181.12270	1.5
183.13829	100.0
184.14200	3.3
197.11917	0.6
199.13362	0.7
201.11276	1.0
209.11775	14.4
210.12119	1.3
211.13362	2.2
227.12840	96.2
228.13170	4.4
229.14423	2.4
235.08192	1.2
247.20709	0.5
253.09277	0.6
273.12799	0.4
291.19620	5.1
305.08755	0.6
309.20700	16.7
310.21036	1.1
327.21765	24.0
328.22061	1.8
397.13467	10.8
415.14447	6.4
607.25781	1.0
692.03198	0.5
707.34863	11.3
708.34918	2.0
725.36017	1.2
815.35242	2.1
816.34839	0.6
921.39691	0.5
935.44849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	5.3
71.01251	35.2
71.04884	3.1
71.52087	1.5
72.99174	5.6
73.02801	5.9
75.00732	4.2
80.96353	1.7
81.03333	2.3
83.01237	2.3
83.04879	2.9
85.02830	10.4
87.00750	10.4
89.02312	21.2
95.01242	2.2
95.04913	1.5
96.95880	1.6
97.02816	8.6
97.06469	4.1
99.00759	16.1
101.02327	21.8
109.06478	3.6
111.00746	5.2
111.04412	2.3
111.08019	2.1
113.02341	11.4
115.00246	6.0
119.03399	5.5
119.04758	1.4
123.08067	3.6
125.02328	7.2
125.09586	9.1
137.09647	2.3
143.03331	1.8
143.04437	1.4
153.12743	1.7
161.04451	5.3
163.11198	11.3
165.12766	3.6
167.10664	1.8
169.12257	2.6
171.10168	40.8
172.10489	3.3
175.02374	8.5
176.02608	1.7
179.05525	4.3
179.10703	2.6
179.14235	1.7
181.12268	12.2
183.13809	3.4
185.11720	2.5
195.13829	3.2
197.11754	12.5
198.12105	2.2
199.13354	10.6
201.11255	8.5
207.10207	28.4
208.10585	1.7
209.11765	11.5
210.12267	1.7
211.13358	10.4
212.13635	2.4
221.06590	3.1
221.11629	2.7
223.09651	1.5
223.13335	9.5
224.13643	5.7
225.11290	39.9
226.11562	2.9
227.12839	3.6
229.14363	5.6
235.08151	5.6
235.12965	1.5
239.12798	1.3
243.12372	15.4
246.94832	1.3
247.20624	2.1
253.09247	3.0
273.18588	2.7
287.07700	1.5
289.17996	2.5
291.19675	30.4
292.20084	3.5
293.20444	2.5
307.19098	2.1
309.20691	60.1
310.20996	9.0
311.22003	3.2
327.21762	29.9
328.22070	19.5
329.22339	7.1
341.23087	2.2
379.12436	2.2
397.13464	31.0
398.13724	5.6
399.13693	2.8
415.14569	9.8
416.14777	2.3
589.13440	1.6
605.25024	2.5
623.25916	6.2
641.26672	1.7
689.33936	4.8
707.34784	7.1
708.35242	2.3
727.36823	2.1
815.43024	3.3
861.44421	7.8
862.44281	2.1
897.46149	2.6
915.45129	7.7
933.46912	100.0
934.47449	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	932.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	54.1
75.00760	22.6
78.43127	11.3
78.91760	17.4
78.95808	17.7
79.95614	34.5
80.91566	17.4
80.96391	39.5
89.02322	14.4
96.95895	100.0
97.02835	14.7
97.85616	12.2
101.02334	17.3
104.31775	13.6
111.11920	12.6
163.19943	13.1
163.94420	11.0
168.62520	10.5
171.10115	20.5
201.11266	24.3
209.11760	20.8
223.13266	37.1
225.11185	12.8
277.21613	15.2
284.74371	15.0
291.19562	17.7
293.21259	51.5
309.20602	22.3
325.20438	11.9
362.25482	11.8
397.13440	48.2
415.14487	14.0
633.57880	13.0
705.26636	15.2
932.48187	36.9
933.46753	63.1
967.82581	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	932.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	19.4
70.28453	42.8
71.01253	100.0
72.99198	18.6
73.02827	15.8
75.00726	13.1
78.95787	15.4
80.96386	16.6
85.02832	23.2
87.00763	47.7
89.02335	29.4
91.11756	11.6
96.95911	32.8
97.02831	22.9
98.19915	14.6
101.02341	45.1
111.00775	32.9
113.02332	32.5
115.00266	45.0
153.97107	11.8
163.02664	14.2
169.12373	14.5
171.10223	63.3
175.02365	80.3
176.02704	25.7
183.13921	15.0
185.11736	17.2
195.13730	16.2
197.11743	25.3
207.10089	21.4
209.11780	66.2
210.12236	21.7
211.13313	60.0
225.11302	30.2
235.08215	17.0
243.12219	17.4
253.09175	14.3
291.19598	46.9
293.21164	26.9
306.07803	13.6
307.19244	14.3
309.20840	55.0
311.22180	25.1
312.72751	12.6
316.87543	12.3
323.22141	12.1
341.23312	61.3
351.81778	15.6
373.70340	14.3
397.13483	41.9
415.14575	20.6
698.94598	14.1
815.44916	15.0
932.46332	46.9
933.46045	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40884	1.0
68.99687	0.9
69.03333	5.2
70.05906	5.2
71.01254	32.2
71.04899	1.7
72.01595	1.2
72.99176	12.3
73.02805	3.8
74.33695	1.0
75.00747	31.9
81.03339	2.3
83.01254	3.8
83.04901	2.9
85.02816	13.3
87.00751	38.1
88.01093	1.2
89.02303	8.9
90.78113	1.0
91.51804	1.0
93.03292	1.3
95.01225	1.6
95.04892	2.6
95.35392	1.1
96.95881	1.9
97.02827	5.3
97.06462	3.2
98.91589	1.0
99.00757	5.1
99.01303	1.0
99.04393	1.9
99.93375	1.0
101.02317	10.8
109.02837	4.0
109.06441	1.6
111.00739	4.6
111.04419	1.9
111.08030	2.3
112.98682	1.9
113.02328	8.9
113.77711	1.2
115.00255	61.4
116.00574	2.4
119.03399	1.5
121.02821	4.1
123.04389	3.5
125.02279	3.5
125.05917	1.2
125.09600	3.9
127.03899	4.2
129.01849	1.9
135.02895	3.5
139.03877	1.2
142.94385	1.1
142.99791	2.2
143.03322	2.4
151.03865	2.4
153.09035	1.3
161.04422	2.8
161.09599	2.2
163.11208	3.1
165.12740	3.5
167.10567	1.4
167.14395	1.3
169.04912	3.0
169.12286	5.4
171.10187	28.3
175.02396	100.0
176.02768	5.5
177.02960	1.3
177.12752	1.9
179.05573	2.0
179.10657	2.6
181.12254	4.9
183.13800	1.9
185.11652	1.9
193.12291	2.1
195.13820	4.8
197.11771	49.6
198.12036	2.9
199.13329	1.9
200.50726	1.1
207.10239	5.7
209.11769	6.9
211.13297	9.7
213.11050	1.2
215.14539	1.2
221.11765	2.9
223.09677	1.6
223.13255	2.6
225.11243	8.3
227.12602	1.2
235.08179	2.1
235.13289	2.9
237.11317	1.4
237.14839	1.3
239.12895	8.0
240.13698	1.4
241.10652	1.7
241.14433	4.8
243.12314	3.2
245.11752	2.9
247.20638	1.5
249.11307	1.2
253.09224	7.4
253.14418	2.2
263.12845	2.4
263.20126	2.4
267.12317	4.1
273.18515	1.8
285.13406	9.6
289.18076	2.6
291.19678	27.8
292.20157	2.5
293.21060	1.9
307.18930	2.4
309.20694	46.8
310.20996	3.6
323.22369	1.3
327.21719	2.0
371.07684	2.6
397.13550	5.4
415.14548	2.8
428.84448	1.4
503.21130	2.2
521.22064	5.5
545.29547	7.9
699.39539	4.5
739.42157	2.0
767.41895	1.3
769.41602	2.8
791.41217	1.9
795.41504	2.6
797.44525	1.7
809.40936	2.5
811.41467	5.3
813.42749	58.1
814.43329	9.6
835.41754	3.0
843.42755	2.4
853.41827	11.5
869.45496	2.2
871.42957	4.0
895.44440	1.4
913.44043	4.4
931.45398	40.8
932.45264	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	931.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00181	0.7
66.33485	0.3
67.01751	0.5
68.99674	0.6
69.15936	3.3
69.16341	0.8
71.01269	2.2
72.99181	0.3
73.02827	0.7
75.74514	0.4
83.01260	4.9
84.02054	0.7
85.02821	28.4
85.07242	0.3
101.02305	1.2
107.01269	1.6
108.02036	0.5
109.02841	0.5
111.00764	11.4
115.07538	5.0
121.02793	0.9
129.01837	17.0
148.01587	0.5
151.00272	5.1
159.04359	0.4
161.04443	1.1
163.00266	1.1
167.35486	0.3
169.01361	0.3
178.99806	2.8
187.02402	1.4
205.03474	14.2
206.03844	0.5
211.03859	0.4
216.04550	0.3
223.04590	1.4
226.02759	0.7
227.03455	1.2
227.75162	0.3
229.04988	0.4
243.02950	4.5
244.63705	0.4
245.04463	0.6
254.02139	1.2
255.02971	13.0
256.03305	1.0
271.02481	28.1
272.02991	2.6
273.04019	0.6
283.02408	0.6
299.01978	0.6
300.02747	49.4
301.03458	20.9
302.03897	1.0
321.11890	26.4
322.12112	1.8
343.04932	0.4
365.06107	0.4
374.16537	0.3
381.63416	0.4
529.95636	0.4
537.86475	0.4
609.14600	100.0
610.14978	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	929.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.3
71.01254	13.8
71.52221	1.2
72.99171	1.6
73.02821	2.5
75.00751	1.2
81.03337	1.0
83.01263	2.1
85.02815	4.1
87.00755	4.5
89.02325	10.3
90.18134	0.6
91.56296	0.7
95.01273	1.0
97.02846	2.8
99.00801	1.4
101.02325	9.3
105.01820	4.5
111.04416	0.9
113.02338	6.4
119.03397	2.8
119.67552	0.7
121.02809	0.7
125.02323	6.1
143.03415	2.3
161.04462	3.2
164.98692	0.7
179.05515	4.2
183.13806	7.1
193.12292	1.8
204.79933	0.7
211.13344	100.0
212.13612	4.8
217.07182	0.9
221.06601	1.3
235.08177	5.5
253.09291	1.2
277.21729	48.2
278.22092	3.1
287.07861	1.2
305.08682	1.6
323.09927	1.4
379.12509	9.6
397.13516	34.6
398.13995	3.3
415.14651	7.9
541.78900	0.8
591.26587	7.0
592.26221	1.0
609.27704	8.5
610.27917	1.5
657.35400	1.3
675.35699	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	929.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73100	0.4
71.01251	15.0
71.51720	0.6
72.99187	4.9
73.02847	0.7
75.00746	2.4
83.01244	1.0
83.04897	0.4
85.02821	1.4
87.00748	27.0
88.98682	10.0
89.02321	1.9
99.00758	0.6
101.02329	1.2
111.00725	0.7
112.98685	1.0
113.02322	1.0
115.00257	43.0
116.00588	1.0
117.41769	0.4
121.02867	0.5
125.02251	0.5
125.09657	0.7
135.02899	1.3
142.99776	0.5
150.66852	0.5
157.01297	0.6
163.11150	0.6
171.10179	0.7
175.02397	100.0
176.02744	3.0
207.10243	1.5
209.11778	5.7
211.13234	1.0
221.11823	0.9
225.11153	0.5
237.11250	0.8
239.12915	1.3
247.09769	0.9
248.02037	0.5
253.09132	0.6
265.10754	1.6
277.21756	6.6
278.22150	1.0
309.20572	1.0
362.22769	0.5
397.13562	0.7
735.43134	0.7
761.41156	3.9
762.40991	1.1
779.42798	1.9
780.42059	0.7
879.44177	0.6
929.49048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18827	0.5
67.01760	1.1
70.50757	0.5
71.01260	1.4
71.24499	0.5
71.52291	0.6
77.55885	0.5
85.02813	3.1
87.00749	1.1
93.03360	0.8
95.01262	1.1
99.00768	1.4
103.00190	0.6
113.02322	3.9
115.00279	0.6
117.03360	1.2
119.04938	0.8
129.01935	0.6
130.83565	0.5
137.02379	0.9
139.00269	0.8
143.04951	0.6
145.02838	1.4
153.05489	0.5
163.00250	0.8
165.01822	1.2
171.04427	1.9
175.02391	1.8
181.85011	0.6
185.05968	1.5
187.03940	3.8
189.05447	0.6
192.00565	0.9
195.06522	1.0
211.04033	0.8
213.05527	5.9
215.03453	0.7
229.05009	2.3
239.03412	1.0
241.05034	2.7
257.04501	1.5
269.73346	0.7
283.02457	1.7
284.03397	2.7
285.04031	100.0
286.04303	6.4
301.03546	1.5
404.86310	0.6
461.07236	65.5
462.07718	5.4
554.13397	0.7
701.06683	0.6
701.92407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	35.7
71.52267	3.6
72.99176	3.9
73.02808	5.5
75.00712	2.4
78.95782	5.4
78.98475	3.7
79.95605	19.9
80.96391	61.3
83.01270	5.6
83.04917	2.6
85.02822	8.2
87.00738	9.0
89.02310	20.3
94.97961	13.8
96.95912	4.3
97.02835	11.7
101.02309	24.3
111.08008	2.9
113.02311	10.7
116.92725	9.2
119.03381	5.7
125.02318	10.1
125.09631	7.3
134.97498	5.3
141.98128	2.7
148.99037	7.7
152.98529	6.3
161.04427	4.8
163.11186	4.5
164.98543	14.3
165.12746	7.1
166.13164	2.3
169.12300	3.3
171.10176	14.3
179.05508	4.7
181.12187	3.7
183.13829	34.1
184.14148	11.5
185.11766	4.7
195.13747	3.9
197.11740	8.7
199.13359	12.0
201.11244	3.4
206.99620	3.6
207.10210	2.9
209.11949	13.0
209.13614	2.8
210.12068	3.7
211.13376	8.8
221.06723	3.1
225.00656	21.1
225.11299	6.1
227.12827	11.2
228.13142	5.1
235.08197	3.6
276.89243	2.7
291.19690	19.9
292.20032	10.8
293.21085	15.7
294.21371	6.4
295.22546	3.2
307.18872	3.8
309.20718	34.4
310.21182	16.6
311.22165	11.1
323.21967	3.7
327.21768	5.3
397.13467	18.3
398.13745	6.3
415.14877	4.3
491.73105	3.2
625.27435	3.3
730.41638	3.3
810.43610	4.5
820.39288	3.2
917.48645	3.6
918.47595	97.4
919.47473	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	915.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99125	7.2
69.03316	6.1
71.01255	47.2
71.52184	3.8
72.99168	8.0
73.02815	5.4
75.00734	6.2
78.84459	2.8
78.95766	6.0
79.67722	3.0
80.96382	8.9
83.01237	3.4
83.04895	3.1
85.02825	18.1
87.00750	15.4
88.93220	2.8
89.02319	24.6
96.20824	3.1
96.95903	3.7
97.02817	13.6
97.06470	4.4
99.00751	5.1
101.02316	17.9
109.06487	6.3
111.08031	4.7
113.02325	10.7
115.00249	11.1
125.02295	5.8
125.09597	5.5
125.23963	2.9
126.90295	4.3
127.11169	3.2
135.02875	3.6
137.09651	4.3
141.01836	3.1
158.11127	3.1
161.04391	6.5
163.11188	4.3
165.12776	6.6
171.10184	43.1
175.02364	19.1
179.05585	5.6
181.12292	6.3
183.13814	5.4
191.10722	3.4
195.13885	3.8
197.11761	20.5
199.13269	5.7
207.10172	17.5
209.11775	34.9
211.13345	20.1
217.46230	3.4
221.11848	5.0
223.13382	7.5
224.13684	3.2
225.11221	15.0
225.15021	3.2
227.12813	7.6
229.14471	4.3
235.08197	9.9
247.20657	5.0
253.09259	27.8
265.21808	3.6
289.18094	8.0
291.19727	46.9
293.21210	10.0
294.21835	3.6
295.92139	3.5
307.19128	12.5
309.20691	100.0
310.21109	13.0
311.22067	6.1
327.21790	83.9
328.22095	8.6
332.34818	3.3
397.13544	26.1
398.13776	4.2
415.14655	5.1
545.29669	9.7
563.30725	9.8
619.41846	4.1
756.52002	4.2
897.45123	5.3
915.45770	41.5
916.46448	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	915.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80477	0.8
71.01257	3.3
72.99182	2.8
73.02819	0.4
75.00748	20.5
78.91779	0.6
78.95766	0.7
79.95594	0.6
80.96396	1.1
83.01265	0.8
83.04893	0.4
85.02822	7.2
87.00766	2.7
89.02328	2.8
97.02814	2.0
99.00756	0.5
101.02312	1.8
109.06497	0.4
111.00753	1.1
111.04455	0.5
112.76611	0.3
113.02348	0.6
115.00239	2.0
115.03915	0.3
117.01842	0.9
125.02345	0.5
129.01834	100.0
130.02191	1.9
131.03250	0.4
135.02892	31.7
136.03258	0.6
142.99797	0.4
143.03418	0.5
152.99527	0.3
163.11281	0.3
171.10179	2.6
173.00842	0.4
175.02397	2.7
193.12253	0.5
197.11783	1.1
207.10220	0.4
209.11768	1.8
211.13402	0.6
221.11900	0.6
225.11357	0.5
239.12912	2.3
241.14301	0.5
247.04527	2.3
253.09206	0.8
277.21722	5.7
278.21991	0.5
285.13461	1.0
291.19870	0.7
291.37897	0.3
293.21463	0.4
307.19293	0.3
309.20752	1.2
310.21045	0.5
324.95096	0.3
397.13339	0.4
433.68607	0.4
457.29605	0.3
521.22675	0.4
779.42389	0.4
781.43811	1.2
915.46283	2.3
916.48352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80321	13.7
69.80731	8.2
71.01268	12.0
72.99191	10.4
79.95600	5.9
80.96376	21.1
82.32570	4.6
88.98678	100.0
89.02320	17.5
94.97963	5.7
97.06019	4.3
98.20457	7.0
101.02359	7.5
109.68295	5.0
137.04440	4.4
157.08620	4.7
200.71902	5.1
202.33981	4.5
225.00746	12.3
264.34106	4.1
277.21622	7.1
293.21234	10.2
316.22263	5.7
915.47058	34.6
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
69.03329	3.8
69.46288	0.5
69.63765	0.5
69.65164	1.4
69.65575	2.4
71.01257	17.0
71.04901	2.3
71.84344	0.6
72.99175	2.1
73.02812	2.1
75.00751	4.5
79.96912	0.6
80.02564	0.6
80.96428	1.1
81.03345	1.3
83.01246	2.1
83.04905	1.1
85.02834	4.7
87.00745	6.7
89.02319	9.3
92.48621	0.6
95.01274	1.2
95.61767	0.5
97.02827	2.3
97.06506	1.6
98.20532	1.3
99.00745	2.3
101.02318	10.0
107.04987	0.8
109.02812	1.1
109.06438	1.0
111.00774	1.3
111.04409	0.8
113.02350	5.1
115.00262	6.7
119.03392	1.7
123.04443	0.8
123.08092	1.2
125.02334	3.0
125.09613	2.3
129.01840	0.7
135.02940	1.0
137.09544	0.9
143.03455	1.3
151.11180	1.5
153.12764	1.7
161.04456	1.0
161.09630	2.7
163.11253	0.9
165.12700	0.9
169.04913	0.6
169.12257	1.1
171.10194	4.5
175.02419	10.2
179.05540	1.1
179.10658	4.1
181.12299	0.8
185.04486	0.6
185.11694	0.7
195.13837	4.4
197.11769	56.7
198.12132	3.1
199.13240	0.9
205.12271	0.8
207.10210	2.5
209.11760	10.7
210.12042	1.0
211.13304	4.7
221.06618	1.5
221.11768	1.0
223.13387	3.3
225.11288	2.6
226.11514	1.0
227.12891	1.7
235.08212	1.5
239.12839	1.4
241.10748	3.2
241.14465	2.0
245.18958	0.7
253.09222	2.9
275.20163	2.4
285.13553	2.0
289.18182	3.3
290.18350	0.6
291.19568	2.1
293.21210	17.6
294.21484	1.6
307.19153	3.4
309.20789	2.5
310.21115	0.6
397.13461	4.6
415.14438	2.6
592.93799	0.7
639.24353	0.9
753.42450	1.0
795.41699	0.9
797.43256	10.2
798.43982	2.3
837.42615	2.6
879.43555	0.7
897.45746	2.0
915.45947	100.0
916.46198	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	914.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	69.4
71.51441	32.0
75.00741	64.0
78.95786	23.6
79.95599	27.7
80.96376	40.7
81.12695	18.6
85.02829	21.2
89.02315	33.1
116.48008	17.4
126.17077	23.1
137.75746	18.6
140.94563	16.2
142.45390	17.1
171.10161	27.6
175.40802	19.0
179.05618	23.8
185.56090	17.4
207.10129	24.9
209.11781	28.7
211.13408	89.2
235.08417	20.8
277.21783	49.5
291.19711	100.0
293.96066	18.5
303.15372	21.7
309.20630	50.0
397.13370	76.8
426.95157	21.1
637.05444	20.9
720.28394	22.7
915.44897	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92856	0.8
69.03326	4.0
70.80763	2.1
71.01254	23.8
72.03486	0.9
72.99183	2.0
73.02818	3.3
75.00774	1.6
79.18192	1.0
79.81676	0.9
80.86377	1.0
81.03333	1.6
81.81979	0.9
83.01257	2.3
83.04903	3.2
85.02834	6.2
87.00748	6.1
89.02319	16.6
95.01270	1.8
97.02838	4.1
97.06470	2.4
99.00785	1.4
99.07994	1.0
101.02331	15.8
108.02133	0.9
109.02827	1.2
109.06398	1.0
111.00790	1.0
111.04430	1.3
111.08037	1.6
113.02345	8.4
113.09610	1.8
115.00252	3.0
115.01123	0.8
115.07446	1.1
115.99955	0.9
119.03415	4.6
125.02376	4.6
125.09631	2.1
131.03436	1.0
138.99080	0.8
141.01836	0.9
141.09164	1.2
143.03415	1.9
148.42502	1.0
161.04449	4.2
161.62270	0.9
165.12744	3.5
166.13232	1.0
166.74428	1.0
167.10658	3.2
167.14281	2.0
171.10178	6.2
175.02379	5.4
176.79822	1.1
177.12781	1.7
179.05574	6.7
179.10635	1.2
179.14330	2.1
181.12291	2.9
183.13792	2.0
185.11784	1.6
193.12364	1.4
195.13841	13.2
197.11771	3.1
205.12312	7.0
209.11745	4.2
211.13336	5.9
217.07228	0.9
221.06699	2.6
221.11752	4.9
221.15353	2.4
223.13350	60.3
224.13683	3.1
229.14395	2.4
235.08243	5.3
239.12822	4.0
245.19055	1.1
247.20663	3.9
253.09259	6.0
255.15942	2.6
273.18561	2.5
281.21011	1.5
289.18143	7.5
291.19656	36.1
292.20050	2.7
293.21277	8.2
294.21457	1.1
307.19214	9.3
309.20718	100.0
310.21127	7.7
325.20172	3.6
327.21768	12.1
379.12451	1.5
380.13770	0.9
397.13516	30.5
398.13632	1.9
415.14514	10.1
416.14938	1.2
497.32755	1.9
515.33862	2.2
543.28027	1.3
603.26605	1.2
621.27515	6.9
637.26898	1.1
689.33966	7.7
707.34778	11.0
708.35382	3.0
835.48517	1.4
852.40479	1.0
895.46088	3.2
913.47797	11.1
914.48956	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	913.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03284	3.3
69.93382	3.1
71.01254	20.7
72.99184	2.1
73.02821	2.8
75.00749	1.1
77.00647	0.6
80.02562	0.7
81.03338	1.4
83.01266	2.4
83.04900	1.7
85.02827	6.5
87.00745	5.0
89.02318	17.1
95.01264	1.8
95.04897	1.0
97.02818	4.1
97.06461	2.0
99.00748	1.5
101.02319	13.8
109.06484	1.3
110.05101	0.6
110.35914	0.6
110.83556	0.6
111.08017	0.9
113.02337	7.8
113.09602	1.9
115.00249	2.0
115.07520	1.2
119.03387	4.1
125.02318	4.8
125.09606	0.8
131.03348	0.7
141.01904	0.8
141.09088	1.3
143.03394	2.9
143.25540	0.8
161.04486	3.9
163.11172	0.9
165.12756	3.9
167.10689	2.4
167.14297	2.0
169.17685	0.7
171.10147	3.6
175.02393	4.0
177.12715	1.3
179.05531	6.0
179.10695	1.2
179.14339	4.0
181.12308	2.5
183.13786	0.7
185.11639	0.7
193.12254	1.6
195.13838	12.1
196.14337	1.0
197.11708	1.4
198.43942	0.6
205.12248	7.9
206.12901	0.8
209.11745	3.4
211.13344	5.0
221.06577	2.1
221.11780	4.9
221.15384	1.9
223.13345	66.3
224.13702	4.0
229.14322	1.2
235.08203	3.8
239.12857	3.2
241.14450	0.8
247.20705	3.1
253.09294	3.2
255.16013	2.0
263.20096	1.3
273.18613	2.2
277.18073	0.8
281.21262	1.4
287.07639	1.1
289.18100	3.8
291.19656	38.5
292.20001	3.5
293.21191	6.7
294.21371	1.0
305.08780	1.8
307.19116	5.8
309.20703	100.0
310.21033	7.8
311.22290	1.3
325.20178	3.2
327.21732	6.5
348.57770	0.7
379.12451	2.1
397.13510	31.2
398.13754	2.8
415.14575	7.7
416.14905	1.2
497.32220	0.8
515.33661	2.0
543.28119	0.9
603.26331	1.9
621.27618	6.1
689.33948	8.7
690.34808	1.6
707.34967	14.4
708.34894	2.4
771.37634	1.8
835.48639	0.9
877.45416	1.8
895.46973	4.2
896.46631	1.5
913.47974	10.8
914.48474	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	911.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69661	5.5
70.15303	19.3
71.01266	23.9
72.99173	13.5
75.00745	68.0
77.15599	4.0
83.04910	4.7
87.00734	6.2
89.02309	11.4
94.07671	4.2
97.06463	8.3
98.20454	6.1
98.54760	4.4
100.63031	4.7
101.02296	15.2
108.09370	4.2
109.06460	6.2
111.00703	4.3
113.02324	8.8
119.03395	7.9
125.09567	13.2
127.07529	6.4
137.03558	5.5
137.09579	5.4
143.03412	5.6
147.48166	4.0
151.12402	4.7
153.09044	10.5
161.04491	5.2
163.11171	12.1
163.71176	4.4
171.10135	19.7
179.05505	4.9
185.11742	14.0
188.47891	4.2
191.10724	5.0
191.14355	10.2
197.11725	18.4
207.10269	5.1
209.11760	49.3
211.13327	9.0
235.08224	5.5
235.13226	4.4
245.19051	14.8
253.09227	24.7
277.21658	9.5
289.18079	77.2
290.18439	8.1
291.19574	18.5
293.21161	8.4
293.26447	4.6
307.19159	100.0
308.19498	11.0
309.20721	34.7
310.21106	12.1
311.21521	6.7
323.09940	5.2
323.18756	7.3
325.20132	33.8
341.10770	11.2
543.28088	11.8
544.47467	5.4
570.76794	4.3
633.71075	5.4
695.31586	4.9
735.39355	12.1
833.46777	10.5
904.85297	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	911.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69661	5.5
70.15303	19.3
71.01266	23.9
72.99173	13.5
75.00745	68.0
77.15599	4.0
83.04910	4.7
87.00734	6.2
89.02309	11.4
94.07671	4.2
97.06463	8.3
98.20454	6.1
98.54760	4.4
100.63031	4.7
101.02296	15.2
108.09370	4.2
109.06460	6.2
111.00703	4.3
113.02324	8.8
119.03395	7.9
125.09567	13.2
127.07529	6.4
137.03558	5.5
137.09579	5.4
143.03412	5.6
147.48166	4.0
151.12402	4.7
153.09044	10.5
161.04491	5.2
163.11171	12.1
163.71176	4.4
171.10135	19.7
179.05505	4.9
185.11742	14.0
188.47891	4.2
191.10724	5.0
191.14355	10.2
197.11725	18.4
207.10269	5.1
209.11760	49.3
211.13327	9.0
235.08224	5.5
235.13226	4.4
245.19051	14.8
253.09227	24.7
277.21658	9.5
289.18079	77.2
290.18439	8.1
291.19574	18.5
293.21161	8.4
293.26447	4.6
307.19159	100.0
308.19498	11.0
309.20721	34.7
310.21106	12.1
311.21521	6.7
323.09940	5.2
323.18756	7.3
325.20132	33.8
341.10770	11.2
543.28088	11.8
544.47467	5.4
570.76794	4.3
633.71075	5.4
695.31586	4.9
735.39355	12.1
833.46777	10.5
904.85297	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	909.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	1.7
65.00191	2.9
68.84775	0.2
71.01252	2.6
75.00762	0.4
83.01255	2.3
85.02821	1.8
87.00727	0.3
91.01781	0.4
93.03307	1.1
95.01244	0.7
99.00723	0.5
103.00252	0.7
107.01269	7.2
109.02836	3.7
110.03186	0.2
113.02303	1.7
119.01252	0.7
121.02839	6.3
122.03200	0.2
135.00790	0.6
137.02351	0.2
139.03882	0.6
145.02890	0.4
149.02325	1.0
151.00270	29.4
152.00647	0.7
153.01785	0.2
159.04405	0.6
161.02316	0.3
163.00262	3.9
163.03941	0.2
163.86328	0.2
164.01044	0.3
167.04996	0.2
169.01331	1.8
173.06125	0.2
175.02386	0.8
175.03888	0.4
178.99783	12.8
180.00175	0.5
183.04436	0.5
185.06015	0.4
187.03917	0.9
190.99786	0.4
192.00537	0.3
193.01334	0.5
199.03853	0.6
201.05525	0.9
203.03477	0.5
211.03926	1.5
212.04562	0.3
215.03462	0.4
217.04964	0.3
227.03450	1.7
228.04120	0.2
229.04967	1.6
239.03505	0.9
243.02905	0.6
245.04503	2.6
255.02959	4.5
256.03604	0.7
257.04416	0.8
266.02213	0.4
271.02475	0.8
272.02936	0.3
273.04013	2.3
283.02490	2.4
284.03015	0.2
299.01929	0.4
300.02731	1.2
301.03522	100.0
302.03851	6.9
311.05640	0.4
431.09995	0.3
477.06729	72.5
478.07062	7.5
547.28412	0.2
741.17737	0.2
893.28326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46151	2.3
71.01250	11.0
71.52283	4.5
72.99181	2.8
83.04878	2.6
85.02850	6.0
85.52637	2.5
87.00742	2.9
88.98643	4.4
89.02321	4.6
99.00751	3.0
99.92443	4.3
101.02326	6.3
113.02332	2.7
115.00245	3.5
115.07604	2.4
116.92750	47.0
117.01804	4.8
133.01341	6.6
137.09590	3.0
153.09097	5.1
160.90599	2.5
165.12755	2.3
171.10173	27.9
183.13901	2.8
185.11769	7.0
197.11746	6.7
201.11220	3.3
209.11765	20.7
211.13383	9.9
227.78911	2.9
229.14381	5.0
235.08241	10.1
238.15706	2.7
245.18953	2.6
253.09244	21.4
283.02396	2.9
289.18140	10.1
291.19730	7.8
307.19150	53.3
308.19421	3.1
309.20657	12.7
325.20215	42.1
326.20538	4.1
327.21756	100.0
328.22125	8.9
543.28131	33.6
545.29639	5.8
561.28632	12.1
563.30579	9.8
784.42285	8.0
785.44092	3.4
786.01685	3.0
853.33624	2.8
853.49683	51.9
854.49561	16.9
871.50629	20.1
872.51044	5.7
907.48511	63.7
908.49011	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	903.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96103	1.5
66.84727	0.8
69.03285	0.9
69.13733	0.9
71.01255	10.2
71.51457	1.4
73.02816	2.1
73.17838	0.9
78.95778	7.8
78.98460	5.8
79.95609	22.2
80.91544	1.1
80.96389	83.4
81.03314	1.2
85.02816	3.1
87.00758	4.3
89.02283	1.0
94.97390	1.4
94.97960	16.6
96.95907	1.5
96.96805	2.2
97.02820	1.5
101.02325	3.6
106.97986	3.6
109.02755	0.9
113.02319	1.2
117.54581	0.8
122.97456	3.4
125.02322	4.1
134.15755	1.0
134.97447	5.8
136.98994	2.1
148.99048	6.6
152.98518	6.9
152.99500	1.9
161.04443	1.0
164.98550	13.3
166.99976	1.1
171.10181	3.2
195.13878	1.2
206.99623	3.4
211.13486	0.9
225.00697	24.4
241.01140	2.2
245.04218	1.7
277.21719	2.4
279.23242	2.5
283.04895	1.3
291.19720	1.5
293.21210	3.2
309.20767	1.6
311.22272	2.5
411.13235	0.9
425.78149	0.9
481.25461	1.3
593.26385	2.0
728.77478	1.1
903.47882	100.0
904.48187	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72196	13.2
70.38173	41.6
71.01250	97.8
79.95600	47.5
80.96390	44.2
87.00753	26.5
89.02309	64.7
96.96841	15.8
101.02321	58.1
113.02301	33.9
125.02371	28.5
171.10207	100.0
172.10559	24.4
179.05507	21.0
196.14056	16.0
197.11801	14.1
198.19569	13.0
199.13287	39.7
201.11317	78.3
204.32518	14.1
207.04657	15.4
209.11798	66.4
211.13278	29.1
221.06865	16.5
225.11238	55.0
226.11557	26.8
227.12755	27.6
243.12315	17.3
277.21729	92.9
278.22015	59.5
278.74817	13.6
293.21164	46.5
294.21552	29.7
309.20764	15.9
397.13681	83.6
398.13812	41.8
415.14426	29.3
884.48248	15.7
902.46515	99.9
903.47247	63.0
915.87189	16.1
924.22333	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	902.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98407	7.1
63.99143	7.7
71.01270	18.3
71.52264	5.0
72.99187	4.2
73.02834	4.3
78.91756	6.4
78.95782	11.3
78.98478	6.8
79.95599	20.3
80.91559	7.2
80.96389	61.8
85.02830	4.6
94.97968	17.1
97.02859	3.9
101.02321	10.2
106.25863	3.1
122.97521	3.3
125.02296	4.4
148.99083	5.4
152.98499	3.4
164.98500	9.1
171.10167	9.0
197.11790	3.9
211.13354	4.4
225.00703	22.3
225.11353	5.3
240.82176	4.0
241.01094	4.8
253.09216	4.2
279.23303	6.7
293.21307	11.4
309.20700	7.3
311.22076	6.2
328.16074	3.2
397.13220	4.4
616.13605	3.4
902.46967	23.0
903.47864	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	900.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98397	14.2
62.99109	11.4
63.99129	19.1
69.24541	100.0
71.01261	18.2
73.46486	8.8
79.95580	10.9
80.96394	37.6
83.87548	9.9
98.20595	19.0
162.17122	9.4
277.21680	18.6
291.19528	10.1
309.20724	15.7
379.99744	10.7
900.45270	13.5
901.46497	61.6
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
62.98413	6.1
63.99126	5.1
69.03309	5.0
71.00901	4.7
71.01241	28.6
71.88350	4.4
72.99178	7.3
73.02802	6.9
75.00738	14.1
78.91763	13.4
78.95770	7.5
79.95605	5.7
80.96400	52.5
85.02840	7.7
87.00739	8.9
88.72747	4.1
89.02291	10.6
94.97961	7.0
96.95791	4.9
101.02298	12.3
109.06472	7.9
113.02319	7.2
115.00291	4.5
122.97430	4.9
149.72885	4.4
152.98499	4.2
164.98489	7.9
171.10190	8.4
175.02383	6.5
195.13786	4.6
197.11765	25.6
207.10188	19.6
208.10527	5.1
209.11879	5.3
211.13319	6.2
225.00677	10.3
225.11197	12.3
234.06720	4.7
253.09282	4.4
277.21848	6.8
279.23322	32.1
291.19577	6.6
293.21158	27.1
294.21625	10.1
309.20694	8.6
311.22119	5.4
397.13394	13.7
411.09384	5.3
412.78979	4.6
783.45782	5.8
900.45667	56.7
901.47119	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	900.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98396	16.3
69.86958	18.6
71.01254	14.4
76.56721	4.7
77.59422	4.5
79.95600	20.7
80.96384	56.7
94.97947	10.3
96.95929	6.9
98.20487	6.9
103.14627	5.8
125.02320	5.1
134.97424	6.3
140.72038	4.5
152.98531	6.6
164.98526	11.0
221.97116	4.9
225.00711	22.4
277.21759	9.4
278.22116	5.2
613.42712	6.2
691.46857	4.8
782.43915	9.4
900.45117	11.6
901.46259	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	900.497
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98401	20.5
62.99138	13.3
71.01248	24.3
75.00745	21.3
79.95618	19.1
80.96371	53.7
87.00779	23.8
94.97941	13.3
96.95922	17.2
101.02291	12.2
115.00258	17.1
122.89178	10.5
123.04358	13.7
143.12535	11.0
145.46829	11.3
164.98415	16.1
166.00180	12.6
169.12250	11.5
171.10185	30.0
174.25928	11.3
175.02383	23.5
197.11731	21.0
225.00645	24.2
262.98849	10.8
277.21719	47.4
278.21967	21.2
309.20804	17.2
310.21014	11.6
397.13382	16.5
419.13489	12.3
782.44385	28.6
865.40906	14.4
900.45313	20.8
901.46411	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	900.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98399	9.4
71.01257	20.7
79.95608	18.4
80.96391	49.3
81.03247	5.0
85.02819	5.4
87.00747	6.5
89.02301	10.7
94.97962	8.7
99.10427	3.8
101.02326	10.0
104.11095	3.8
108.22342	4.1
123.12586	3.8
125.02337	9.2
148.96001	4.1
152.98587	4.6
164.98517	6.5
171.10146	12.9
197.11729	10.9
199.13448	5.2
201.11136	5.9
207.10196	6.8
210.49274	4.4
215.12891	4.4
225.00710	16.3
225.11298	20.8
277.21609	21.8
292.20084	6.6
293.20819	4.6
305.16934	4.0
309.20877	7.6
397.13562	12.3
540.83575	4.5
883.47241	6.6
900.46344	18.0
901.46613	100.0
905.29382	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	900.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98394	7.2
63.99146	6.2
71.01250	19.7
71.09399	12.8
78.98499	5.7
79.95617	17.1
80.96388	76.6
85.02811	7.7
87.00773	7.9
89.02306	8.1
94.97959	14.3
96.67728	5.9
97.02788	7.7
101.02326	9.1
122.97496	7.5
125.02341	10.5
134.97426	5.6
142.69199	6.8
145.36301	5.2
152.98618	8.5
164.98541	13.3
171.10156	11.6
201.11317	9.7
207.10255	7.3
222.25952	5.5
225.00761	21.5
225.11215	10.4
260.23471	7.7
274.07083	7.0
277.21683	24.1
293.21140	8.2
391.82556	6.9
397.13547	11.8
474.23187	6.9
539.76282	6.6
561.59717	7.2
758.46490	6.3
900.45294	11.6
901.46411	100.0
903.97510	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	899.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20758	3.3
69.03310	4.7
69.25851	7.0
69.26253	26.9
71.01262	37.7
72.99180	3.8
73.02826	5.5
75.00732	3.9
78.95773	8.6
78.98467	8.5
79.95607	22.1
80.96396	78.8
85.02819	17.3
87.00739	9.6
89.02313	14.3
91.31242	4.2
94.97946	16.3
96.95901	5.3
97.02810	7.1
98.20534	4.8
101.02323	15.4
102.95964	3.4
106.97980	3.2
113.02324	8.3
113.32082	3.2
121.02804	3.8
122.97473	4.6
125.02376	6.7
125.09590	4.8
134.97459	6.0
137.09630	4.8
143.03383	4.2
148.99022	5.4
152.98508	7.9
161.04446	5.9
163.11263	3.9
164.98541	17.0
165.12721	3.8
169.12193	4.7
171.10211	36.2
179.05391	3.6
183.13910	4.2
185.11804	3.4
195.13857	7.7
197.11804	4.0
199.13388	4.9
207.10234	9.4
209.11783	22.0
211.13345	28.8
211.44397	3.2
221.11679	3.1
223.13353	5.9
225.00775	23.9
225.11293	8.7
229.14421	4.6
235.08182	6.9
241.10591	6.0
247.20624	3.6
253.09337	24.9
275.20047	4.6
277.21466	5.7
289.18121	9.0
291.19601	24.6
292.19928	3.4
293.21191	65.7
294.21567	8.1
307.19138	10.3
309.20746	30.8
327.18326	5.1
327.21805	64.2
397.13431	18.9
415.14670	8.3
476.68137	3.3
563.30841	8.4
591.25702	3.4
747.55194	4.3
881.45276	4.3
899.44940	100.0
900.45715	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99741	0.6
69.03329	3.8
69.44965	0.5
71.01253	18.5
71.04885	1.7
71.09314	0.9
71.09658	1.1
72.99159	2.2
73.02811	3.0
75.00738	2.6
79.95595	0.9
80.96387	2.4
83.01254	2.3
85.02826	4.6
87.00748	8.4
89.02319	10.2
94.97942	0.7
95.01282	0.8
97.02834	3.4
97.06474	0.8
99.00735	1.5
99.04443	0.8
101.02326	10.3
109.02834	0.8
113.02310	4.2
115.00260	7.7
119.03364	1.8
123.08006	1.1
125.02322	2.7
125.09606	2.7
127.03889	1.5
143.03368	0.9
151.11208	1.3
153.12749	1.5
161.04453	1.2
161.09618	2.5
169.12241	1.0
171.10168	4.3
175.02393	16.0
179.05518	0.9
179.10724	5.1
195.25896	0.6
197.11769	57.1
198.12131	4.0
207.10262	0.9
211.13277	1.4
221.06604	2.1
223.09746	1.9
223.13298	1.2
235.08156	1.4
241.10707	4.6
253.09383	0.7
262.64032	0.7
277.21744	22.4
278.22070	1.3
285.13437	1.4
291.19565	0.7
295.22708	2.2
309.20770	1.6
310.21143	1.3
397.13370	3.5
415.14438	1.0
433.94431	0.6
639.25153	1.4
781.43610	2.6
889.57965	0.9
899.46381	100.0
900.46704	28.5
900.60339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.7
69.68595	5.8
71.01254	61.2
72.99170	2.8
73.02820	13.9
75.00751	1.2
77.62000	0.9
81.03336	2.0
83.01261	6.7
83.04916	2.1
85.02819	25.4
87.00735	2.9
88.66804	0.9
89.02319	15.4
93.03342	5.5
95.01257	3.8
95.04884	1.1
97.02819	3.1
98.19841	1.9
99.00764	6.1
100.50887	1.0
101.02322	37.5
111.00758	1.7
111.04407	2.0
113.02323	19.4
119.03395	5.3
121.02843	4.9
123.04416	1.7
125.02322	5.9
131.03355	1.3
137.02313	2.0
139.03946	1.1
141.26079	1.0
142.39787	0.8
143.03391	3.3
144.87279	1.0
149.02332	2.0
149.05943	2.0
150.03136	3.9
152.07565	0.9
159.02867	1.5
161.04475	14.0
165.01828	9.9
165.05507	4.8
166.02390	0.9
177.95285	0.8
179.03349	1.6
179.05478	3.1
180.04181	5.3
181.05008	2.5
184.36340	0.8
195.06578	11.8
196.32378	1.0
221.06578	2.8
225.07625	5.5
254.07353	1.0
263.07651	1.7
323.09753	6.6
450.27289	1.1
497.28653	1.2
515.30170	8.8
535.43805	1.0
677.35382	16.5
678.35773	4.0
717.38196	1.3
766.63483	1.1
839.40717	100.0
840.40991	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99741	0.6
69.03329	3.8
69.44965	0.5
71.01253	18.5
71.04885	1.7
71.09314	0.9
71.09658	1.1
72.99159	2.2
73.02811	3.0
75.00738	2.6
79.95595	0.9
80.96387	2.4
83.01254	2.3
85.02826	4.6
87.00748	8.4
89.02319	10.2
94.97942	0.7
95.01282	0.8
97.02834	3.4
97.06474	0.8
99.00735	1.5
99.04443	0.8
101.02326	10.3
109.02834	0.8
113.02310	4.2
115.00260	7.7
119.03364	1.8
123.08006	1.1
125.02322	2.7
125.09606	2.7
127.03889	1.5
143.03368	0.9
151.11208	1.3
153.12749	1.5
161.04453	1.2
161.09618	2.5
169.12241	1.0
171.10168	4.3
175.02393	16.0
179.05518	0.9
179.10724	5.1
195.25896	0.6
197.11769	57.1
198.12131	4.0
207.10262	0.9
211.13277	1.4
221.06604	2.1
223.09746	1.9
223.13298	1.2
235.08156	1.4
241.10707	4.6
253.09383	0.7
262.64032	0.7
277.21744	22.4
278.22070	1.3
285.13437	1.4
291.19565	0.7
295.22708	2.2
309.20770	1.6
310.21143	1.3
397.13370	3.5
415.14438	1.0
433.94431	0.6
639.25153	1.4
781.43610	2.6
889.57965	0.9
899.46381	100.0
900.46704	28.5
900.60339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98389	30.8
71.01245	34.4
71.51469	35.4
73.95148	20.8
75.00756	85.7
78.91765	46.4
78.95781	50.6
80.96404	45.1
87.83775	21.3
117.22262	20.5
194.73323	21.2
210.03081	26.0
279.23306	73.8
280.23697	100.0
293.21219	27.1
309.20624	33.6
311.22296	41.1
371.36011	22.8
448.25476	28.6
774.15704	25.7
899.46362	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98415	46.3
71.01252	62.4
71.51682	15.9
71.52978	15.4
75.00751	100.0
78.95784	19.2
79.43544	16.5
80.96394	64.7
89.02321	41.4
89.12820	16.0
101.02316	36.0
113.02341	20.8
125.14958	15.4
138.55376	17.9
167.87387	17.1
171.10281	20.7
175.02374	39.9
195.13910	27.1
207.10239	41.6
209.11923	19.4
221.11807	51.9
225.11281	22.9
277.21622	50.4
291.19724	27.6
293.21207	41.6
309.20694	43.3
310.21280	22.8
311.22168	18.7
397.13882	27.7
898.47699	31.0
899.45313	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88855	12.9
69.89271	22.4
71.01263	42.1
72.84424	7.1
72.99174	6.5
75.00745	80.2
79.95610	15.5
80.96380	60.4
85.02824	10.1
87.00749	51.2
88.01082	8.2
89.02321	9.4
90.82117	6.9
92.12389	6.4
94.41609	6.6
94.97945	15.5
96.95856	8.7
98.20560	8.3
101.02308	14.4
105.90991	7.6
111.04314	8.8
113.02359	8.1
115.00262	64.6
116.00624	11.3
125.09631	7.6
156.76967	7.2
162.75676	7.1
164.98372	9.2
171.10173	9.8
174.54434	6.8
175.02386	100.0
176.02718	16.9
197.11688	16.4
207.10188	9.4
208.03314	7.3
209.11757	23.3
211.13351	21.8
223.13174	7.2
225.00716	11.4
239.12900	8.7
240.77057	6.7
241.14474	11.1
249.35916	6.8
253.09247	10.1
268.57620	6.8
277.21741	36.3
289.17969	10.0
291.19626	16.5
292.20020	14.9
293.21149	42.3
309.20700	33.4
310.21045	14.9
311.22064	26.1
315.34036	7.1
325.19870	7.0
325.99893	7.4
349.27563	7.0
397.13303	15.3
817.47430	14.9
880.42737	7.8
898.47003	9.4
899.44934	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	5.6
87.00719	1.2
89.02322	3.3
94.82288	1.1
97.02843	3.1
101.02348	3.0
109.06438	1.8
110.85916	1.0
111.08041	1.6
113.02326	2.2
115.00231	1.9
125.09628	1.6
161.04375	1.6
163.11147	3.0
165.12799	5.6
171.10120	3.1
175.02432	2.0
179.14320	1.5
181.12260	1.8
191.14253	1.3
193.12083	1.6
193.15935	1.8
197.11800	9.4
209.11729	2.7
211.13361	4.0
219.03564	1.2
221.11783	2.6
223.13359	2.9
227.12749	1.8
235.08086	1.8
247.20631	5.5
253.09232	16.7
265.66684	1.2
273.18610	1.4
277.21765	1.5
291.19659	66.3
292.19958	6.3
293.21188	8.7
294.21881	1.5
309.20703	100.0
310.20987	9.5
315.15094	1.2
325.20096	3.9
360.92508	1.2
397.13330	2.2
463.43283	1.1
527.28699	1.5
545.29553	3.3
601.40808	1.5
753.24622	1.4
875.42572	1.3
897.45374	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	897.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.6
71.01256	5.7
78.95782	0.8
80.96400	1.1
85.02818	1.5
87.00751	3.9
89.02337	2.8
89.03243	0.7
97.02823	5.4
97.06508	0.8
98.20646	1.8
101.02342	3.5
111.08037	2.8
113.02325	2.2
115.00271	5.0
125.09612	1.5
137.09631	1.0
161.04494	2.1
163.11227	1.8
165.12729	4.8
167.10599	0.9
171.10156	4.3
175.02386	9.2
181.12318	1.3
191.33801	0.8
193.12227	0.9
193.16019	0.7
197.11781	11.8
198.12059	1.2
199.13396	1.0
209.11810	2.7
211.13315	3.4
213.58833	0.8
221.11832	2.4
223.13419	1.5
227.12825	2.6
229.92180	0.9
235.08177	2.5
239.12909	1.0
247.20641	3.0
253.09261	18.0
263.20090	1.3
268.58475	0.9
273.18759	1.1
277.21710	2.9
291.19662	46.9
292.20081	4.0
293.21091	1.5
309.20709	100.0
310.21103	10.3
317.10645	0.8
397.13437	1.1
416.98746	0.9
446.33429	0.9
527.28656	2.3
545.29449	5.1
601.41132	2.9
602.41498	1.2
727.15869	0.8
794.75696	1.0
879.46741	1.9
897.43646	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	897.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03303	3.1
71.01254	16.0
71.04894	0.8
71.49089	0.2
72.99183	1.6
73.02821	2.7
81.03345	0.9
82.68550	0.3
83.01247	1.7
85.02821	3.9
87.00758	4.0
89.02316	13.6
90.02652	0.3
93.03315	0.4
95.01279	1.0
95.04876	0.5
97.02835	2.1
97.06496	0.3
98.20570	0.8
99.00752	0.9
101.02322	11.9
109.02822	0.5
109.06468	0.6
111.00762	0.5
111.04415	0.4
111.08019	0.6
113.02330	6.8
115.50863	0.3
118.08634	0.3
119.03384	3.3
125.02348	4.7
125.09638	0.5
126.02686	0.3
131.03384	0.5
139.03885	0.4
141.09106	0.4
141.97768	0.3
143.03401	1.7
145.04974	0.4
149.04459	0.4
149.09616	0.5
161.04489	2.6
161.13289	0.3
163.86076	0.2
167.03326	0.3
167.10696	2.6
171.10225	0.3
177.12772	0.8
179.05533	4.0
179.10696	0.8
179.14304	3.6
195.13844	16.6
196.14339	1.2
198.53931	0.3
205.12291	7.5
205.15727	0.5
210.41515	0.3
211.13336	1.2
217.07158	0.4
221.06645	1.9
223.13347	69.2
224.13704	3.9
225.14856	1.1
228.13657	0.6
231.21158	0.6
235.08205	4.1
253.09215	1.1
256.13159	1.0
265.14508	0.3
265.21701	0.6
275.20129	4.8
276.20294	0.4
287.07718	1.1
289.18024	0.6
291.19574	1.2
293.21216	100.0
294.21533	8.0
305.08765	1.5
309.20731	1.4
317.21252	0.4
323.09821	1.1
379.12415	2.6
397.13495	31.9
398.13849	2.2
415.14566	12.1
416.14871	1.0
499.34760	0.4
603.26385	3.4
604.26691	0.6
621.27667	8.2
622.28125	1.3
654.27563	0.4
673.34503	1.1
691.35498	2.1
692.36243	0.4
828.41473	0.4
892.95007	0.3
897.47589	1.5
898.48352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.9
70.02775	2.4
70.03172	2.7
71.01249	7.1
72.99210	1.8
73.02822	1.6
75.00752	1.6
80.02566	1.4
81.03339	2.2
83.01260	2.1
83.04918	1.6
85.02836	3.6
87.00730	1.8
89.02335	6.1
95.04899	2.2
97.02840	4.7
97.06476	5.1
100.48543	1.2
101.02309	8.7
109.06453	1.5
110.21665	1.4
111.08027	8.2
113.02345	4.4
123.04357	2.5
125.02325	1.4
125.09627	5.3
135.08072	2.5
137.09610	3.8
141.12706	1.4
161.04489	4.4
163.11171	8.8
165.12766	3.3
169.12242	3.5
171.10184	4.3
181.12283	2.4
183.13820	2.1
185.11758	7.0
191.14360	7.8
197.11772	41.3
198.12091	1.5
199.13312	1.4
207.10202	4.9
209.11772	20.2
211.13341	8.2
217.15926	1.8
225.11311	3.0
227.12862	3.9
235.08186	6.1
237.11269	4.6
245.19086	17.0
247.20763	1.7
253.09244	30.8
263.20197	6.2
265.17868	2.7
271.17017	2.6
273.18582	1.8
281.21326	1.4
289.18091	89.2
290.15317	1.3
290.18335	6.7
291.19672	42.2
292.20065	3.0
293.21069	2.0
307.19147	81.9
308.19431	6.8
309.20700	100.0
310.21051	8.2
325.19943	1.4
426.96234	1.3
439.94830	1.2
445.20712	1.7
525.26953	3.0
543.28021	3.5
545.29749	3.0
835.48578	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	895.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01194	1.0
69.03329	2.8
69.80345	6.9
71.01255	10.1
72.99178	4.4
73.02823	3.4
73.16407	1.2
75.00754	3.3
81.03340	1.9
83.01270	3.4
83.04913	1.8
83.57751	1.2
85.02846	3.1
87.00736	2.9
89.02331	7.3
95.04907	1.3
97.02840	4.2
97.06472	7.1
101.02311	8.2
109.06483	1.5
111.08043	13.1
113.02340	4.4
119.03433	1.1
123.04410	2.6
123.08091	2.0
125.09613	3.5
127.07498	1.2
135.08043	2.2
137.09631	3.4
137.40729	1.1
145.04988	1.9
151.11218	3.1
161.04491	3.4
163.11197	7.6
165.12758	4.9
167.10614	1.8
169.12280	6.3
171.10181	2.3
177.12698	1.4
181.12267	4.0
183.13841	2.3
185.11748	5.4
189.12640	1.3
191.10736	1.7
191.14357	9.2
197.11768	70.6
198.12105	3.5
199.13350	4.5
207.10190	4.0
209.11781	22.2
210.11967	1.8
211.13348	9.0
217.15933	2.9
220.68489	1.4
225.11243	3.3
227.12820	3.7
235.08191	6.5
237.11238	4.0
245.19061	14.4
246.19464	1.3
247.16858	1.3
247.20738	1.8
253.06700	2.3
253.09259	34.7
254.09694	1.4
263.20169	10.4
271.17084	2.5
273.18622	2.5
277.22031	1.7
289.18103	76.5
290.18427	7.9
291.19669	34.2
292.19943	1.6
293.21231	2.8
307.19159	87.9
308.19577	7.5
309.20706	100.0
310.21115	9.3
311.22229	1.7
325.20209	1.5
442.65353	1.3
445.20874	4.4
525.26709	5.0
543.28278	5.8
545.29620	2.6
546.03455	1.3
661.99408	1.5
737.41602	2.5
817.46014	1.5
835.47876	3.2
895.48755	3.5
916.87354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	1.1
71.01256	7.8
71.22730	0.7
72.99164	1.3
73.02821	1.8
75.00745	1.3
80.02547	0.9
81.03336	2.4
83.01266	3.1
83.04890	2.0
85.02813	2.2
87.00763	1.4
89.02324	3.9
91.62636	0.8
95.01259	1.1
95.04922	2.5
97.02827	3.1
97.06470	6.0
98.38226	0.7
101.02312	6.6
109.06467	1.5
113.02363	4.1
115.30636	0.7
123.04398	3.4
123.08033	2.1
125.02348	1.2
125.05961	1.1
125.09619	6.7
135.08066	1.3
137.09615	4.4
139.55833	0.6
141.12723	1.0
149.05968	1.0
161.04474	1.5
161.09653	1.6
163.07454	1.0
163.11217	8.4
164.08401	0.8
165.09221	1.2
165.12775	2.3
167.10753	1.1
169.87952	0.7
171.10207	1.9
175.11116	0.9
181.12302	1.4
185.11751	10.7
189.12830	0.7
191.14372	11.2
207.10258	4.9
209.11771	25.1
210.12154	1.1
211.13307	2.8
217.15939	1.2
225.11411	4.1
235.08276	3.7
237.11404	4.5
245.19092	20.6
246.19464	1.8
253.09306	14.8
254.09589	1.2
255.23233	1.4
263.20053	4.7
264.04733	0.8
271.16962	3.8
281.21432	0.8
289.18091	100.0
290.18506	9.9
291.19800	1.9
305.17657	1.1
307.19138	87.1
308.19495	6.0
309.20691	2.7
325.20059	1.0
331.19183	1.0
371.25342	0.8
376.73901	0.8
499.30786	0.9
525.26746	1.1
543.27942	2.3
735.39374	0.9
833.47253	1.3
834.48297	0.9
893.49377	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	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	2.9
69.03300	1.0
69.32471	2.5
69.32893	1.2
71.01254	13.4
72.99176	1.5
73.02822	2.6
80.96393	1.8
81.03326	1.1
83.01244	1.7
85.02826	3.8
87.00754	4.2
89.02319	12.0
95.01273	2.1
95.04865	0.6
97.02836	2.4
98.19741	0.8
99.00744	1.4
101.02327	10.9
109.02843	0.8
113.02338	6.9
119.03412	4.1
121.02856	0.6
125.02330	6.8
125.09608	1.1
127.11195	1.7
131.03397	0.7
141.01840	0.6
142.02667	0.5
143.03381	1.5
149.04437	0.5
156.89601	0.4
161.04468	4.2
171.10181	100.0
172.10515	4.0
172.39392	0.5
179.05481	3.1
185.11826	1.4
199.06149	0.8
209.11761	1.5
210.12122	1.1
213.24605	0.5
217.07103	1.0
221.06607	1.8
227.12642	0.4
235.08165	5.4
253.09418	0.5
259.08231	1.3
277.21722	52.4
278.22119	3.8
279.23364	1.5
287.07724	2.8
294.01358	0.5
301.09116	0.6
305.08749	2.2
323.09827	1.5
347.96704	0.4
362.18826	0.5
379.07593	0.8
379.12436	15.6
380.12634	1.1
397.13504	36.4
398.13849	2.8
411.81775	0.5
415.14597	8.1
462.09439	0.5
551.23511	3.6
569.24646	4.1
608.52637	0.5
657.35034	1.3
675.36072	1.7
889.48413	4.5
890.47705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	9.0
70.85233	6.8
71.01250	11.2
72.99173	4.6
78.33274	2.6
78.33738	2.4
78.95782	3.7
81.45392	3.1
87.00750	3.8
88.98656	5.7
89.02330	4.8
101.02333	9.5
102.85546	2.5
107.84352	2.2
113.02348	4.0
116.92751	27.9
119.03408	2.7
125.09636	2.5
153.09082	6.2
161.04437	4.2
171.10199	21.0
183.93523	2.4
185.11790	4.0
197.11787	6.1
209.11812	15.2
211.13367	4.7
235.08179	9.2
236.93265	3.3
253.09189	15.1
277.21841	9.1
289.18173	14.8
291.19672	28.1
293.21140	3.7
307.19092	50.6
308.19412	5.1
309.20697	100.0
310.21158	11.8
325.20120	29.8
327.21744	4.6
379.12671	3.8
381.86749	2.6
397.13602	6.1
525.26715	4.2
527.28534	4.4
543.28369	10.6
545.29724	34.6
546.30035	4.6
694.38794	2.9
766.41504	4.5
784.43005	2.6
817.47241	3.4
835.48419	35.6
836.49390	11.7
853.49353	20.4
854.50470	5.9
889.47223	38.7
890.47052	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	887.4634
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98707	4.4
69.03323	1.2
69.59108	5.2
70.45102	0.7
71.01256	18.6
72.99168	2.5
73.02798	3.3
75.24696	0.7
83.01209	1.7
83.04897	1.0
85.02826	3.8
86.88523	0.8
87.00751	4.6
88.98637	0.7
89.02322	12.1
95.01222	1.1
95.04882	1.0
96.95876	2.8
97.02820	2.3
97.06453	3.7
98.95493	0.7
99.00755	1.1
101.02321	10.5
111.00750	1.0
111.04379	0.9
113.02334	5.1
116.91990	0.7
116.92724	4.7
117.01840	1.2
117.10336	0.8
119.03371	1.8
125.02310	1.9
143.03322	1.1
143.06931	0.8
151.11191	11.4
160.39818	0.8
161.04463	1.6
169.12254	64.0
170.12663	3.7
171.10201	5.0
179.05559	1.0
184.05031	0.8
185.11711	2.5
195.10233	0.8
195.13792	2.5
197.11746	2.4
209.11795	1.1
211.13365	5.3
213.11263	11.0
217.76262	0.9
221.06607	3.6
223.13289	2.4
235.08173	1.4
253.09271	2.3
263.07837	0.9
275.20105	2.2
289.18005	0.9
291.19626	3.2
293.21213	13.2
294.21463	2.1
300.28842	0.9
305.17532	0.9
307.19104	1.5
309.20663	6.2
310.21097	1.2
311.22144	2.2
325.20242	1.1
327.21634	3.1
341.23264	2.4
343.24747	1.3
345.75040	0.9
397.13306	3.5
415.14346	1.2
436.60654	0.8
519.23438	0.9
525.03345	1.0
593.24524	1.5
611.25317	2.7
761.41791	1.3
887.46442	100.0
888.46771	28.2
898.43439	1.0
908.22632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98399	0.2
62.99145	0.1
63.99132	0.2
70.08056	0.2
70.08447	0.3
71.01270	0.7
72.96404	0.1
73.02820	0.2
78.95819	0.1
78.98476	0.4
79.95605	1.1
80.96393	4.2
85.02847	0.2
87.00757	0.2
94.97974	1.0
95.01260	0.1
96.95879	0.1
97.02837	0.2
101.02348	0.2
105.11926	0.1
106.98022	0.2
122.97437	0.2
125.02354	0.2
125.19730	0.1
134.97482	0.3
148.99057	0.4
152.98613	0.4
155.89685	0.1
164.98532	0.9
169.12312	0.1
185.11888	0.1
199.13376	0.3
206.99664	0.2
209.11787	0.1
225.00688	1.2
227.12886	0.3
233.65901	0.1
235.08235	0.1
277.21756	0.4
278.22165	0.3
283.05145	0.1
327.21402	0.1
397.13647	0.2
650.97083	0.1
656.31409	0.1
742.76050	0.1
886.47028	1.0
887.48322	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	885.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	3.4
69.03318	3.2
71.01249	12.2
71.04890	1.3
71.51923	1.2
72.99184	1.2
73.02805	3.4
73.83119	0.8
75.00729	1.5
78.95784	1.9
79.95599	1.4
80.02544	1.0
81.03342	1.1
83.01231	1.5
83.04893	4.3
84.02033	5.1
85.02821	3.8
86.98589	0.8
87.00732	2.6
89.02316	5.7
95.01222	0.8
95.04906	2.5
96.95885	26.3
96.96856	1.9
97.02823	4.3
97.06464	8.4
99.00729	1.2
99.04394	3.7
99.07980	1.1
101.02317	7.4
102.59684	0.7
107.04914	0.8
109.06466	1.3
111.00880	0.8
111.08070	1.4
113.02318	5.0
115.07512	1.7
116.92727	3.4
119.03373	0.9
119.08585	0.7
123.04317	1.4
123.08057	1.5
125.02311	1.8
125.05955	1.1
125.09615	5.2
127.07519	2.1
127.11128	0.9
129.01836	1.0
131.03413	0.8
135.08064	4.0
137.09615	1.4
139.07584	1.6
141.09082	1.7
145.04980	0.9
147.02951	0.7
151.11226	1.3
151.60562	0.9
153.09116	13.8
155.10628	1.7
161.04443	3.0
163.11177	3.3
165.12746	3.3
171.10181	46.3
175.02402	1.0
178.09891	2.8
179.05528	1.4
183.13869	1.8
185.11719	5.4
191.10614	1.6
191.14351	1.1
193.12248	10.8
194.12796	0.9
195.13815	1.4
197.11797	9.4
201.11186	0.9
201.44948	0.7
203.10582	0.7
207.10260	0.9
209.11755	41.5
210.12097	3.3
211.13341	11.6
212.13547	0.8
219.13727	1.0
221.11847	1.6
221.15353	1.2
223.13255	0.8
225.14890	14.0
227.12871	2.2
235.08138	5.8
235.20613	1.0
238.12054	1.9
243.15974	7.7
245.19067	2.4
249.15074	1.2
253.09236	24.8
253.14291	1.2
254.09535	1.0
263.20187	1.3
279.19730	1.3
289.18073	10.4
290.18323	1.1
291.19684	9.1
292.19934	1.6
293.21222	8.8
294.21609	1.7
297.20706	1.3
307.19125	59.5
308.19443	4.7
309.20691	9.8
310.21005	1.5
323.22144	1.0
325.20193	35.6
326.20502	2.7
327.21695	3.5
341.23294	100.0
342.23639	9.3
357.22684	5.4
397.13431	3.1
407.19537	1.5
495.33307	0.8
525.27374	1.7
539.58453	0.8
543.28131	18.2
544.28528	2.2
545.30371	1.0
561.29370	4.0
562.30096	1.0
577.32416	4.2
602.79333	0.9
631.42096	1.6
649.43091	1.3
691.10925	0.9
798.43854	3.1
867.51154	15.4
868.51483	3.3
885.52594	6.3
886.51617	1.2
911.18964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	7.9
66.41312	0.4
69.03316	0.8
71.01250	15.9
72.01591	0.3
72.99158	1.3
73.02821	2.5
78.98464	0.5
79.95622	1.1
80.02519	1.2
80.96395	3.1
81.03307	1.8
82.65875	0.4
83.01248	1.6
83.04898	5.1
84.02036	1.3
85.02825	4.6
87.00737	4.6
89.02322	12.2
95.01255	1.6
95.04930	0.5
97.02840	2.8
97.06445	0.4
99.00755	1.1
101.02322	12.7
102.02669	0.3
105.75480	0.4
109.06479	0.4
111.00787	0.5
111.04369	0.4
113.02333	7.2
119.03383	3.6
125.02336	5.5
125.05948	0.5
125.09634	0.4
131.03398	0.7
135.08081	0.7
139.03877	0.6
141.01826	0.5
141.12753	0.5
143.03380	2.6
152.84976	0.3
152.98492	0.4
161.04477	3.4
163.11220	3.6
164.98575	0.4
165.12708	2.9
169.12280	0.9
171.10187	0.4
179.05507	3.7
181.12318	0.8
183.13821	0.5
185.04491	0.6
185.11798	0.7
191.10757	0.9
193.06154	0.4
199.13307	3.0
207.10210	1.6
209.11768	100.0
210.12102	6.1
211.13406	2.0
213.95462	0.4
217.07083	0.8
221.06610	2.1
225.00703	0.8
225.11302	1.4
227.12837	19.0
228.13071	1.1
235.08200	5.5
251.12900	0.8
253.09290	1.6
277.21722	45.7
278.21997	4.4
287.07681	2.0
289.18173	0.5
291.19644	0.8
293.21191	2.9
305.08899	2.1
309.20798	0.9
323.09778	1.2
379.12421	5.5
397.13477	32.7
398.13846	2.8
415.14578	9.3
416.14835	0.9
589.25568	0.4
607.26270	2.0
608.27081	0.5
625.26691	0.6
825.71735	0.4
885.47119	5.7
886.47345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.0
62.01741	0.2
67.76357	0.2
69.03314	1.2
69.53292	1.2
71.01254	15.2
72.01614	0.3
72.99183	1.5
73.02821	2.7
75.00743	0.4
78.98431	0.2
79.95605	1.5
80.02544	1.0
80.96391	3.4
81.03339	1.9
83.01257	1.5
83.04898	5.1
84.02037	0.9
85.02818	4.4
87.00744	3.7
89.02316	13.4
91.03882	0.3
93.03317	0.4
94.97966	0.7
95.01263	1.2
95.04910	0.8
96.95860	0.3
97.02816	2.8
99.00754	1.0
99.04350	0.2
101.02323	11.3
101.03005	0.5
109.02811	0.4
109.06467	0.4
111.00748	0.4
111.04393	0.6
111.08062	0.3
113.01528	0.4
113.02327	7.2
119.03375	3.5
121.02880	0.3
125.02341	6.4
125.05992	0.8
127.03888	0.3
127.07478	0.3
131.03369	0.8
133.04973	0.4
134.97432	0.3
135.08040	0.6
139.03909	0.3
141.01857	0.3
141.12737	0.3
143.03419	2.3
147.11729	0.4
148.99075	0.4
149.04478	0.4
152.98517	0.4
161.04478	3.3
163.11195	3.9
164.98523	0.8
165.12772	2.5
167.03470	0.4
169.12358	0.3
171.10143	0.3
179.05513	3.5
181.12254	0.7
191.10696	0.8
197.11923	0.2
199.05940	0.3
199.13367	2.0
206.99596	0.2
207.10066	0.3
209.11771	100.0
210.12114	6.1
210.13985	0.5
211.13376	1.2
212.63315	0.2
217.07127	0.6
221.06549	1.4
225.00725	1.1
225.11256	0.4
227.12842	14.4
228.13184	1.1
229.14453	0.3
235.08197	4.9
251.12859	0.6
253.09184	1.2
263.07693	0.3
275.20242	0.4
277.21716	48.3
278.22079	4.3
279.23019	0.3
287.07724	1.6
291.19629	0.7
293.21249	1.2
305.08801	2.0
309.20578	0.3
315.89713	0.3
323.09851	0.9
327.21732	0.5
339.20129	0.3
361.11493	0.4
379.12433	6.3
380.13016	0.3
397.13489	34.0
398.13840	2.7
415.08994	0.5
415.14542	8.5
416.15012	0.7
573.33569	0.3
589.24988	0.5
607.25977	1.3
638.64093	0.3
675.36151	0.4
777.93860	0.3
885.47021	5.0
886.46979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	2.2
69.03318	1.7
69.80459	1.1
71.01256	19.0
72.01569	0.5
72.99191	1.8
73.02818	2.6
75.00772	0.6
79.45053	0.3
80.02612	0.2
81.03341	0.9
83.01270	2.3
83.04906	1.1
84.02034	0.2
85.02827	4.5
87.00751	4.4
89.02319	14.9
90.02625	0.3
95.01262	1.6
95.04929	0.5
97.02833	2.7
97.06461	0.3
98.19857	0.3
99.00756	1.1
99.04392	0.3
101.02325	12.2
102.02651	0.3
103.28207	0.2
109.06408	0.4
111.00769	0.6
111.04453	0.3
111.08052	0.3
113.02336	8.1
113.09529	0.3
115.03886	0.3
119.03394	3.3
121.02802	0.3
121.91138	0.3
125.02331	5.2
131.03419	0.6
133.04948	0.5
135.05634	0.2
139.03912	0.5
141.01816	0.3
143.03386	2.4
144.53232	0.2
145.05002	0.3
149.04491	0.6
153.01863	0.2
161.04469	3.3
163.11177	0.7
165.12709	0.6
167.10703	0.8
167.14326	0.9
169.04956	0.4
171.10139	0.6
179.05518	4.0
179.14357	0.7
181.12210	0.4
183.13824	6.8
184.14197	0.4
193.12256	2.0
195.13834	7.1
196.14453	0.5
199.06129	0.5
205.12331	0.6
205.15742	0.3
209.11778	13.9
210.12129	1.0
211.13342	80.8
212.13673	5.5
217.07146	0.4
221.06528	1.7
223.11365	0.4
223.13364	4.6
224.13849	0.5
225.11403	0.3
227.12851	1.6
228.13618	0.7
231.21135	0.4
235.08171	4.8
236.08621	0.3
253.09358	1.4
256.13159	1.2
259.08176	0.4
263.07648	0.4
265.21802	0.3
268.17899	0.3
275.20184	6.0
277.21713	5.8
278.22028	0.5
287.07678	1.6
291.19580	0.7
293.21234	100.0
294.21561	10.4
305.08762	1.5
309.20734	0.6
317.20929	0.4
323.09891	1.1
327.21713	0.5
332.57166	0.3
335.22501	0.3
379.12460	5.1
380.12759	0.4
397.13504	38.5
398.13855	3.4
415.14578	15.1
416.14938	1.0
487.34381	0.6
591.26904	1.8
592.27313	0.4
609.17877	0.3
609.27600	5.5
610.27643	0.7
636.26324	0.3
673.34375	1.2
691.35217	1.5
692.35938	0.4
885.46979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	5.2
68.28808	0.8
69.03323	1.3
71.01252	24.0
71.51527	0.8
72.99169	3.1
73.02827	3.6
75.00774	0.9
79.95605	2.3
80.96362	0.7
81.03329	1.7
83.01266	2.4
83.04889	1.9
84.02026	0.9
85.02808	5.2
87.00750	5.0
89.02314	17.0
95.01242	2.2
96.65018	0.9
97.02824	3.3
97.06435	1.0
99.00774	1.4
101.02319	16.0
102.65832	0.8
113.02321	9.1
115.03889	0.8
115.43092	0.7
119.03391	5.1
119.55447	0.7
125.02327	8.1
131.03394	1.5
133.04922	1.5
139.03897	0.9
139.31573	0.8
141.01813	1.2
143.03413	4.2
149.04497	0.9
151.11069	0.8
160.73181	0.9
161.04460	5.1
163.11185	1.7
165.12732	1.8
167.10632	0.8
169.12292	1.4
171.10152	1.0
179.05515	5.5
179.14305	1.1
181.12241	1.0
183.13815	8.3
193.12303	1.5
195.13824	6.5
196.14307	1.1
199.06158	0.9
199.13335	4.1
207.10165	1.2
209.11768	39.2
210.12149	2.5
211.13332	80.1
212.13666	5.1
217.07175	0.9
221.06641	2.8
223.13333	4.9
225.11266	1.9
227.12831	15.6
228.13292	1.6
229.14413	1.3
235.08232	6.4
253.09250	1.9
275.20181	5.1
277.21710	22.8
278.22018	2.5
287.07657	1.4
291.19852	0.9
293.21210	100.0
294.21515	8.7
305.08868	2.5
309.20615	0.9
323.09821	2.3
379.12527	5.3
383.77039	0.8
397.13483	49.1
398.14081	4.2
415.14584	16.0
416.15073	0.9
469.33865	0.8
487.34982	1.0
506.62106	0.8
591.26788	2.4
591.45117	0.9
607.26111	1.6
609.27490	5.7
610.28540	1.0
625.27246	2.2
671.92493	0.8
673.33966	1.5
691.35004	1.3
785.84729	0.8
885.47632	6.4
886.47925	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	885.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98407	0.8
62.99125	0.2
63.45409	0.2
63.96111	0.6
63.99129	0.8
69.03336	0.5
71.01257	4.0
71.22940	0.5
71.23289	0.3
72.99208	0.3
73.02841	0.8
78.98466	2.3
79.95606	10.7
80.96391	24.9
81.03371	0.4
82.56673	0.3
85.02839	0.9
87.00768	1.3
89.02345	0.8
94.97961	5.3
96.95897	0.6
97.02829	0.8
101.02334	1.7
106.97972	1.2
107.30845	0.3
113.02316	0.9
122.97481	1.3
125.02338	1.8
134.97481	1.7
136.99025	0.7
143.03368	0.4
148.99057	2.5
152.98523	1.7
161.04474	0.4
164.98546	4.1
169.12370	0.3
179.05574	0.3
185.11781	0.6
193.14494	0.3
199.13318	2.0
206.99651	1.3
207.10216	0.5
209.11775	1.0
216.52510	0.3
225.00681	7.8
225.98866	0.3
227.12720	1.4
235.08241	0.5
241.00215	0.5
243.01961	0.3
277.21719	3.0
283.04922	1.2
293.21301	0.7
341.05453	0.8
355.06924	0.7
379.12451	0.3
395.09732	0.3
397.13525	1.8
415.14551	0.3
417.68924	0.3
459.06689	0.3
496.12607	0.3
509.89355	0.3
591.25067	0.7
607.82196	0.3
818.97858	0.4
844.44012	0.3
885.46753	35.2
886.46979	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	885.467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.24507	0.4
62.98393	0.5
63.96115	1.0
63.99128	0.8
69.03339	0.5
71.01252	7.4
72.99203	0.5
73.02834	1.1
73.92602	0.5
78.98488	2.3
79.95604	11.3
80.96393	29.8
81.03361	0.9
81.49777	0.4
83.01255	0.6
83.04909	0.8
85.02825	2.6
87.00753	3.5
89.02314	2.5
94.97961	6.7
97.02838	1.7
99.00752	1.3
101.02333	4.1
106.97980	1.3
109.06467	0.6
111.00716	0.4
113.02343	1.7
119.03376	0.7
122.97453	1.6
125.02322	2.5
127.03926	0.6
134.97519	2.4
136.99063	0.9
141.12779	0.6
143.03368	1.0
148.99086	2.7
152.98506	2.4
161.04369	1.1
163.11211	0.7
164.98540	5.8
165.12781	0.7
169.12239	0.7
171.10185	0.5
179.05464	0.6
183.13733	0.5
185.11774	0.7
199.13336	3.4
206.99600	1.3
207.10237	1.4
208.10631	0.6
209.11789	12.4
210.12003	0.5
211.13361	0.6
221.06715	0.4
225.00700	10.3
225.11322	1.9
226.11501	1.0
227.12894	6.0
235.08171	1.4
262.75449	0.5
277.21689	11.3
278.22079	1.5
279.22867	0.6
291.19589	0.5
293.21295	0.6
295.22888	1.1
305.08871	0.5
341.05359	0.6
355.06982	0.6
379.12424	1.4
397.13483	7.6
398.13776	0.8
415.14603	1.6
420.90012	0.5
591.24811	0.9
607.25891	0.6
625.26166	0.8
885.46747	42.5
886.47052	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	884.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
66.87209	0.2
69.80300	1.3
71.01264	0.8
78.95807	0.4
79.95621	0.7
80.96389	2.7
82.96018	0.3
84.18221	0.2
94.97961	0.6
96.64218	0.2
97.67740	0.2
97.89168	0.2
116.92753	0.3
125.78310	0.3
132.86374	0.3
134.97424	0.3
204.66588	0.2
207.10234	0.4
209.11815	0.3
225.00735	0.5
225.97092	0.3
250.67570	0.3
277.21835	0.8
278.22128	0.3
293.21460	0.3
438.00092	0.3
884.47284	0.8
885.46747	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	884.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56247	0.1
61.91897	0.1
61.98702	100.0
62.98406	0.2
62.99116	0.1
65.02573	0.1
65.55557	0.1
65.88322	0.1
68.04280	0.1
70.26357	0.3
71.01270	0.2
78.98463	0.1
79.95597	0.4
80.10078	0.1
80.96387	1.0
82.62265	0.1
86.31068	0.1
89.02303	0.1
94.97991	0.1
101.02317	0.2
105.84011	0.1
127.03984	0.1
140.14009	0.1
152.98686	0.1
164.98610	0.1
199.13416	0.1
207.10191	0.1
209.11717	0.1
225.00757	0.3
225.11319	0.1
227.12869	0.1
277.21762	0.3
278.16846	0.1
291.19986	0.1
343.81952	0.1
397.13861	0.2
415.14731	0.1
537.45667	0.1
884.46637	0.2
885.46619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98402	0.1
62.99136	0.1
63.99124	0.1
71.01263	0.2
71.52248	0.1
79.95605	0.1
80.96390	0.4
85.02867	0.1
89.02331	0.1
94.97977	0.1
101.02367	0.1
106.97982	0.0
109.06460	0.0
113.02347	0.1
125.02364	0.1
140.40294	0.1
164.98582	0.1
169.12378	0.0
199.13365	0.1
207.10219	0.1
209.11942	0.1
225.00754	0.1
225.11356	0.1
227.12901	0.2
253.09381	0.1
277.21667	0.2
279.23459	0.1
291.19525	0.1
293.21286	0.1
295.23242	0.0
309.20877	0.1
397.13486	0.1
630.66895	0.1
884.45239	0.3
885.46838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
63.99126	0.4
70.84570	0.7
70.84930	0.3
71.01273	1.1
79.95615	1.0
80.96407	2.0
85.02821	2.3
87.00757	0.3
89.02329	1.0
94.98009	0.4
97.02862	0.4
101.02348	1.3
113.02327	0.9
137.09659	0.8
137.50374	0.4
155.10655	0.5
161.04510	0.7
171.10182	7.1
171.11609	0.4
183.06026	0.3
197.11900	0.5
207.10121	0.4
211.13344	1.4
225.00841	0.8
229.14517	1.0
235.08261	0.9
253.09258	5.8
257.91415	0.4
276.28461	0.3
277.21722	11.9
278.21988	1.7
279.23474	0.3
291.19745	1.0
293.21191	1.1
295.22763	1.6
309.20697	4.9
311.22260	0.4
327.21759	14.2
328.22229	1.2
417.97662	0.4
426.63129	0.4
545.29773	1.4
546.89459	0.4
563.30426	1.7
587.43298	0.5
778.74939	0.4
883.45172	2.4
884.45306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98392	0.2
63.99127	0.2
69.03316	0.1
71.01254	1.9
72.99212	0.2
73.02818	0.3
78.98470	0.2
79.95585	0.9
80.96395	2.2
81.03323	0.3
83.01277	0.3
83.04926	0.1
85.02835	0.5
87.00739	0.7
89.02317	1.1
94.93960	0.1
94.97970	0.4
97.02824	0.7
97.06466	0.2
98.19785	0.3
99.00752	1.1
101.02315	1.0
106.97971	0.1
109.02840	0.1
109.06444	0.2
110.03648	0.1
111.00719	0.2
113.02333	0.5
115.00274	0.2
119.03378	0.3
122.97471	0.1
125.02352	0.8
125.09631	0.3
127.03906	0.1
134.97487	0.3
141.01842	0.1
142.02602	0.2
148.99075	0.3
152.98520	0.1
153.12837	0.1
161.04442	0.2
163.11195	0.5
164.11505	0.2
164.98550	0.3
165.12802	0.2
169.12341	0.1
172.49274	0.1
175.02377	0.4
175.92351	0.1
176.02559	0.1
179.05513	0.2
181.12251	0.9
182.12570	0.3
199.13361	0.6
206.99649	0.1
207.10196	2.3
208.10521	0.9
209.11757	3.3
225.00624	0.6
225.11272	3.5
226.11609	1.1
227.12849	0.9
231.60307	0.1
235.08153	0.3
243.12311	1.1
244.12746	0.3
253.09242	0.2
275.37650	0.1
277.21704	4.0
278.22067	1.1
291.19659	0.4
292.19937	0.2
293.21170	0.2
309.20587	0.2
310.53906	0.1
317.15817	0.1
323.22287	0.4
324.22617	0.1
341.23218	0.5
342.23718	0.4
379.12363	0.3
397.13510	2.1
398.13831	0.2
415.14737	0.3
433.71094	0.1
452.62097	0.1
605.24719	0.3
606.24841	0.7
607.25592	0.2
623.25421	0.5
624.25635	0.6
630.03845	0.1
884.47107	3.9
885.46814	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	882.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.48517	0.1
62.98396	0.2
71.01271	0.2
80.96371	0.1
87.00728	0.1
98.19798	0.2
113.02332	0.1
114.55505	0.1
115.00285	0.1
171.10240	0.1
174.01564	0.1
175.02388	0.2
182.70660	0.1
207.10249	0.2
211.13350	0.3
212.13741	0.1
225.11342	0.1
277.21780	0.2
278.21887	0.1
289.18112	0.2
291.19705	0.3
293.21344	0.1
294.21829	0.1
309.20615	0.2
323.22336	0.3
333.24936	0.1
341.23322	0.2
397.13684	0.1
883.47394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98406	0.2
69.47532	0.1
71.01268	0.2
78.95795	0.1
79.95581	0.1
80.96398	0.3
85.02842	0.2
87.80171	0.1
88.73777	0.1
89.02328	0.1
94.97950	0.1
97.02887	0.1
98.20583	0.2
101.02357	0.2
122.41853	0.1
161.04427	0.2
164.98590	0.1
171.10184	0.4
181.97990	0.1
183.13820	0.1
187.88354	0.1
207.10312	0.1
209.11876	0.1
211.13364	0.2
229.14258	0.1
229.36383	0.1
235.08237	0.3
253.09262	0.6
277.21704	1.5
277.24384	0.1
289.18073	0.1
290.18427	0.1
291.19461	0.2
293.21210	0.6
294.21631	0.4
295.22131	0.3
307.19171	0.2
308.19626	0.2
309.20630	0.4
310.21198	0.1
323.73691	0.1
327.21756	1.1
327.25388	0.1
487.46939	0.1
545.30157	0.2
563.30902	0.1
577.65698	0.1
589.24084	0.1
633.80933	0.1
804.66754	0.1
883.45062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	89.4
62.12104	1.2
69.03333	1.5
70.75434	2.4
71.01262	6.7
73.02785	1.2
78.95779	2.1
85.02853	1.5
87.00736	1.7
89.02299	5.0
90.25777	1.2
97.02806	2.6
101.02337	6.4
111.08010	3.3
113.02346	2.9
119.03333	1.4
137.09616	1.6
151.46727	1.2
152.99500	2.3
161.04468	2.6
165.12704	1.4
169.12315	1.5
171.10175	2.6
181.12328	1.9
183.13853	1.5
184.29433	1.3
195.13863	6.7
197.11752	17.0
201.11258	5.7
205.12199	1.6
209.11801	10.7
211.13446	6.5
214.71796	1.3
223.13359	6.8
227.12737	3.8
235.08163	4.8
253.09259	28.6
255.23265	7.1
275.20139	7.8
277.21686	1.8
291.16718	2.0
291.19693	23.5
292.20007	4.2
293.21219	100.0
294.21588	8.4
309.20724	66.3
309.23770	1.3
310.20996	5.6
397.13440	5.2
503.91727	1.3
529.30267	2.7
545.29742	4.5
585.41699	3.5
619.47888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31586	0.2
61.98705	20.4
68.99665	0.3
69.03304	3.1
70.84788	0.6
71.01257	20.8
71.04890	0.5
71.13262	0.3
72.99191	1.9
73.02816	3.1
75.00747	0.8
79.95581	0.4
80.96378	1.6
81.03325	1.1
83.01266	2.5
83.04897	0.6
85.02825	5.2
85.06466	0.5
87.00748	4.0
89.02319	18.2
93.03343	0.3
94.97992	0.4
95.01257	1.4
95.04899	0.4
97.02827	2.9
97.06467	0.3
99.00758	1.3
101.02327	15.1
109.06483	0.7
111.00751	0.4
111.04395	0.5
111.08038	0.3
113.02334	9.6
119.03397	4.1
121.02804	0.4
123.04437	0.3
124.46099	0.4
125.02350	6.0
125.09613	0.4
127.03897	0.4
131.03406	0.7
133.02864	0.7
133.04916	0.3
134.97542	0.3
135.11726	0.4
137.02339	0.4
139.03873	0.5
139.74020	0.3
141.01857	0.6
141.09126	0.5
143.03412	3.0
149.04454	0.6
149.09584	0.6
153.09102	0.3
161.02344	1.1
161.04462	4.4
161.13283	0.3
164.98589	0.4
167.10696	2.8
168.07132	0.3
169.04945	0.4
177.12737	0.6
179.05539	6.0
179.10715	1.1
179.14325	2.8
185.11758	0.3
195.13840	9.6
195.19806	0.3
196.14178	0.7
197.11801	0.6
199.06107	0.3
205.12282	8.0
206.12645	0.4
209.11909	0.3
211.13390	0.4
217.07054	0.7
221.06665	2.2
223.13353	100.0
224.13704	5.7
225.00656	0.7
235.08191	5.3
236.08580	0.2
237.14929	0.4
245.06793	0.3
253.09280	1.7
259.08105	0.4
263.07861	0.5
265.14468	0.7
277.21725	56.6
278.22067	5.0
287.07828	1.3
289.18326	0.3
291.19711	0.9
292.20132	0.4
293.21249	2.4
295.22757	1.4
305.08896	2.2
307.18954	0.5
309.20767	1.9
323.09851	1.5
327.78979	0.3
329.97745	0.3
361.11649	0.4
379.12491	7.6
380.12921	0.4
397.13522	43.7
398.13849	3.8
415.14581	12.1
416.15015	0.6
427.19708	0.5
441.21170	0.3
603.26581	8.4
604.26910	1.3
621.27618	10.2
622.27594	1.5
640.28760	0.3
657.34808	0.5
675.36005	0.9
784.99371	0.3
881.49670	4.3
882.49792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	7.1
69.03345	1.3
69.39717	1.4
70.85458	2.2
71.01248	11.1
73.02821	1.4
81.90689	1.2
83.01270	2.3
85.02837	3.5
87.00767	1.3
89.02332	7.9
93.74337	1.3
94.05244	1.1
95.04910	1.8
97.02842	3.1
97.06487	2.6
99.00738	1.4
101.02318	11.4
102.45620	1.0
109.06518	2.4
111.08058	1.1
113.02336	4.4
119.03405	1.9
123.04388	2.0
123.08020	1.1
125.02377	1.2
125.09633	4.7
137.09636	2.2
161.04510	3.6
163.11197	4.4
165.12773	2.2
171.10178	5.0
179.10828	1.7
180.18227	1.1
181.12283	2.0
184.92482	1.1
185.11771	5.7
191.14359	5.0
195.13828	8.6
197.11771	6.6
201.11259	2.3
207.10225	5.0
209.11713	5.9
211.13339	2.6
223.13304	7.0
225.11253	10.2
226.11662	1.3
235.08195	3.5
237.11272	2.9
243.12300	1.4
245.19075	10.0
253.09247	21.5
255.23245	8.8
263.20255	1.6
271.16846	1.8
275.20105	6.1
289.18088	56.2
290.18390	4.2
291.19662	20.9
292.19962	3.2
293.21222	100.0
294.21481	6.4
307.19165	46.4
308.19476	4.6
309.20770	9.8
397.13464	4.5
414.34076	1.3
525.26843	2.7
527.28186	1.8
545.29712	1.3
730.91608	1.4
773.38232	1.3
790.15955	1.4
861.48773	5.4
879.48926	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	879.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22950	1.5
61.98708	29.0
71.01257	10.8
75.00756	2.7
80.96378	2.0
85.02822	4.5
87.00758	2.2
89.02309	4.9
95.04893	2.0
97.02801	2.4
97.06478	5.0
98.20565	4.0
101.02324	7.1
111.08024	2.8
113.02328	2.1
114.02782	1.7
125.09624	2.3
151.11186	3.7
161.04434	2.7
161.60683	1.7
163.11134	3.3
165.12761	3.7
181.12242	4.9
195.13814	8.5
205.12270	1.8
209.11790	11.1
211.13280	3.9
223.13341	6.8
227.12770	5.4
235.08188	3.4
245.19008	5.1
253.09209	14.6
263.20236	10.9
271.16867	2.1
275.20157	4.5
277.21671	3.9
289.18100	16.2
290.18546	2.3
291.19717	15.2
293.21222	100.0
294.21542	5.2
302.41241	1.8
307.19208	40.1
308.19617	4.6
309.20743	12.3
314.22296	1.7
347.10214	1.8
423.38184	1.8
445.20584	5.6
525.27118	2.1
527.28571	3.8
543.28369	9.2
721.41663	4.0
819.49200	10.0
879.48132	6.7
880.47760	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	879.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	18.6
69.03320	1.9
70.89816	3.1
71.01266	11.8
71.04875	1.7
73.02837	2.0
78.95775	2.1
83.01259	1.9
85.02833	4.2
87.00752	3.8
89.02306	5.7
93.50759	1.2
95.04861	1.4
101.02314	7.1
109.06453	7.3
111.04413	4.3
111.08048	1.5
113.02314	6.0
119.03378	1.7
125.02329	3.3
127.07562	1.7
143.03426	1.9
145.06551	1.9
149.09566	2.3
152.99525	1.5
161.04497	3.2
163.11183	2.2
167.10698	2.3
171.10179	12.0
179.05460	2.3
195.13853	8.1
201.11316	7.2
207.10214	5.0
223.13316	4.9
225.11288	8.3
235.08208	5.1
245.19075	3.8
253.09288	22.8
254.09639	1.5
255.23311	15.8
256.23553	1.7
265.38202	1.6
275.20129	5.2
277.21756	2.0
287.16650	1.8
289.18100	100.0
290.18576	8.5
291.19656	24.1
292.20068	2.4
293.21228	81.0
294.21515	5.9
307.19034	6.1
309.20755	13.0
312.68289	1.4
379.12451	3.3
397.13632	10.3
445.23730	1.6
471.58163	1.6
525.27094	7.1
565.70990	1.5
623.26459	1.5
693.13544	1.7
861.47467	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	879.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.7
69.03314	1.3
70.38136	2.8
71.01254	4.6
78.11756	0.7
80.14742	0.7
81.03358	0.7
83.01252	1.0
83.04909	1.0
85.02824	1.0
87.00739	0.7
87.83878	0.8
88.64268	0.7
89.02308	2.9
97.02811	1.1
97.06467	1.2
101.02316	4.8
111.08047	0.8
113.02324	1.6
116.35473	0.9
119.03375	1.4
119.08511	0.8
123.08035	1.0
125.09622	3.1
137.09596	1.2
154.29662	0.9
161.04515	2.0
163.11160	2.8
164.88026	0.8
171.10202	1.6
179.14285	1.2
181.12318	1.3
185.11726	2.3
191.10626	0.9
191.14316	3.3
195.13860	7.3
207.10172	2.1
209.11760	7.5
211.13274	1.5
223.13365	6.4
225.11256	2.1
227.17807	0.7
235.08116	2.7
237.11234	1.6
245.19051	8.5
253.09293	19.2
254.09476	1.2
255.23250	1.0
256.13095	1.4
263.20148	1.7
271.16864	1.2
275.20163	6.5
277.21558	0.8
289.18100	39.3
290.18372	3.3
291.19583	4.9
293.21228	100.0
294.21463	7.3
307.19141	41.1
308.19464	2.6
309.20972	3.9
386.76648	0.8
525.26978	1.3
529.29950	0.9
819.49042	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	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.5
64.46118	0.9
69.03323	5.5
71.01257	15.6
71.04898	1.6
71.52385	1.2
72.99185	2.5
73.02808	2.5
75.00765	1.2
81.03338	1.0
83.01239	1.2
85.02813	3.8
87.00744	2.8
89.02316	10.5
97.02834	1.8
99.00760	1.3
101.02325	9.4
111.04425	0.9
111.08076	0.9
113.02349	4.4
115.00269	1.5
118.09808	0.8
119.03395	3.2
123.08021	1.3
125.02316	2.1
125.09586	1.7
143.03377	1.5
145.23706	1.0
151.11172	2.4
161.04509	1.4
161.09657	2.7
171.10271	1.3
175.02330	1.6
179.10762	5.8
180.11034	1.0
197.11761	31.9
198.12083	1.6
209.11716	1.4
221.06618	1.3
235.08147	3.0
241.10725	1.8
255.23271	46.9
256.23627	3.8
289.18134	1.9
291.19791	3.2
339.62756	1.0
397.13510	3.0
877.48035	100.0
878.48199	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	875.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.3
65.50274	0.1
69.03342	0.2
71.01247	0.1
71.04890	0.3
72.99168	0.2
78.95784	0.1
80.15070	0.1
83.04887	0.3
84.02051	0.2
85.02843	0.2
89.02303	0.1
96.95904	0.2
97.02830	0.2
97.06480	0.4
99.08041	3.2
113.09595	0.1
121.10141	0.1
125.09615	0.8
127.11170	2.0
129.09093	0.2
137.09642	0.4
139.11189	4.1
140.11586	0.2
143.10672	0.1
155.10695	0.4
155.14331	0.4
157.12228	0.7
165.12796	0.3
167.14281	0.6
171.10185	12.5
172.10468	0.4
183.13840	2.7
184.14070	0.1
185.11705	0.2
193.12279	0.9
197.11775	0.2
199.13284	0.2
201.11310	0.3
209.11801	0.9
211.13344	16.5
212.13638	1.0
229.14417	11.4
230.14745	0.6
253.09261	0.6
291.19632	0.5
293.21152	0.8
309.20618	1.0
311.22232	0.8
327.21967	0.2
329.23318	100.0
330.23660	7.9
331.23663	0.2
335.29300	0.1
339.05106	0.2
459.09460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	0.3
66.69721	0.1
69.95226	0.5
71.01261	0.6
71.04890	0.5
72.99187	0.2
73.02816	0.2
75.00766	0.1
83.01287	0.2
83.04906	0.4
84.02029	0.3
85.02826	0.3
87.00742	0.2
87.96355	0.1
89.02317	0.3
96.95872	0.2
97.06483	0.5
99.08035	5.0
100.08425	0.2
101.02334	0.5
112.94549	0.1
113.02341	0.4
113.09570	0.2
115.07511	0.1
121.02776	0.2
121.10131	0.4
125.09615	0.8
127.11176	5.9
127.12128	0.3
128.11502	0.2
137.02422	0.2
137.09639	0.8
139.11179	16.4
140.11511	0.8
153.09143	0.4
153.34389	0.2
155.10701	1.1
155.50410	0.2
157.12253	2.5
161.04446	0.2
163.11137	0.2
165.01839	0.2
165.12720	0.3
171.10178	43.2
172.10500	1.7
183.13805	0.5
185.11743	0.2
197.11795	0.3
201.11304	0.9
209.11804	0.5
211.13333	3.7
212.13705	0.2
223.13417	0.3
229.14410	1.9
247.20692	0.5
253.09259	2.2
253.56587	0.2
282.67484	0.2
291.19675	5.8
292.20053	0.5
293.21252	1.6
309.20718	6.8
310.20898	0.7
311.22269	1.0
327.21698	0.4
328.21985	0.3
329.23312	100.0
330.23660	7.3
339.05048	0.4
459.09265	0.9
496.89288	0.2
500.56766	0.2
530.56909	0.2
537.24078	0.2
555.46350	0.2
626.87024	0.2
631.22589	0.2
652.76849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83600	0.3
61.98702	4.9
69.03323	1.1
71.01253	1.2
71.04923	0.4
71.52077	0.5
83.04877	0.4
84.02029	0.5
85.02821	6.6
85.06473	0.3
89.02319	0.4
91.09447	0.3
93.86420	0.3
94.05865	0.3
95.04895	0.6
97.02837	0.9
97.06468	2.6
101.02354	0.5
109.06461	0.5
115.23320	0.3
119.08531	0.5
125.09628	0.7
127.11157	1.2
137.09604	1.9
155.10701	0.4
155.14348	0.4
165.12782	0.4
167.10663	0.3
167.14304	0.4
167.57132	0.3
171.10184	17.8
172.10493	0.8
177.12819	0.5
183.13828	3.1
185.11797	0.5
193.12276	0.7
195.13829	0.3
199.13356	0.4
201.11208	0.6
203.10643	0.4
209.11806	0.9
211.13339	11.9
212.13680	1.0
221.11795	1.8
227.12900	0.4
229.14403	9.0
230.14726	0.7
239.12836	1.5
247.20598	0.4
253.09323	1.4
257.14047	0.4
289.18115	5.4
290.18344	0.7
291.19635	2.4
292.20038	0.5
301.03494	0.4
307.19214	0.5
309.20712	0.9
327.21756	100.0
328.22095	9.5
440.98047	0.3
871.34772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56407	100.0
80.43214	15.3
82.33780	13.4
98.20551	32.3
141.19046	16.3
149.98819	15.6
163.00246	18.6
243.02939	45.2
259.02658	22.2
271.02527	39.2
272.03149	42.5
285.00494	15.9
287.01868	25.9
299.01968	44.3
301.03549	61.7
327.03506	19.5
329.03098	25.0
331.04865	17.9
421.02454	19.0
435.48306	17.4
521.26349	15.9
571.07300	84.1
587.05396	26.3
692.09650	23.4
707.08783	23.1
721.10010	30.1
735.08319	22.5
753.09503	28.8
801.14618	16.2
829.13733	26.3
840.13849	80.0
841.14691	22.2
855.12561	53.4
873.13422	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.5
69.03330	2.5
71.00173	0.2
71.00497	0.2
71.01254	2.9
71.04898	0.3
72.99182	0.4
73.02834	0.6
73.89304	0.2
76.96310	0.2
79.79189	0.2
81.03351	0.3
83.01257	0.4
83.04902	0.7
84.02032	0.5
85.02824	10.5
86.03153	0.2
87.00757	0.5
89.02315	2.4
95.01259	0.2
95.04846	0.2
95.17312	0.2
96.95868	0.2
97.02827	1.6
97.06469	2.0
99.00780	0.2
99.13254	0.2
101.02328	2.6
109.02879	0.2
109.06458	0.2
113.02351	1.6
116.92690	0.2
119.03376	0.7
119.08526	0.5
123.08002	0.3
125.09621	1.2
127.11200	1.3
137.09630	3.3
138.09923	0.2
143.03398	0.2
153.09081	0.4
155.10670	0.8
161.04430	1.5
163.11125	0.3
165.12776	0.5
167.14304	0.4
171.10184	32.8
172.10556	1.6
177.12759	0.4
179.05537	0.5
181.12234	0.2
183.13849	2.3
185.11737	0.5
193.12260	0.4
195.13878	0.4
197.11794	0.5
201.11247	1.8
202.11542	0.2
203.10799	0.3
209.11778	1.0
211.13332	9.5
212.13603	0.5
213.11264	0.3
219.61420	0.2
221.11797	1.9
227.12865	0.3
229.14407	7.4
230.14781	0.5
235.08214	1.2
239.12868	1.6
247.20747	0.3
251.16492	0.3
253.09261	16.2
254.09630	0.6
291.19629	2.9
292.19751	0.3
307.19122	0.2
309.20688	2.4
310.20883	0.3
325.20175	0.3
327.21753	100.0
328.22098	9.9
545.29584	0.4
563.30707	8.5
564.31158	1.4
619.41656	0.4
620.42645	0.2
637.43231	3.3
638.43024	0.7
763.25378	0.2
873.51733	0.6
882.95581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	1.7
65.03821	0.4
69.03313	1.1
71.01249	3.1
71.04914	2.0
71.05230	0.5
71.31716	0.4
71.32031	0.4
72.02032	0.6
73.02824	0.5
76.82139	0.3
78.95744	0.7
80.02544	1.2
80.96401	0.5
81.03313	1.4
83.04890	3.0
84.02044	1.8
85.02824	1.3
85.06464	0.8
87.04415	0.5
89.02325	1.0
93.03327	0.4
95.04897	2.4
96.95889	3.5
96.96824	0.7
97.02821	1.3
97.06466	3.0
98.03593	0.9
99.04348	0.4
99.08040	2.0
101.02311	0.9
107.04938	0.4
109.02813	0.4
109.06492	2.5
111.04409	0.4
111.08024	1.6
112.05180	0.6
113.02331	0.3
115.07535	1.2
119.03340	0.4
121.02852	0.7
121.06466	0.5
123.04405	1.1
123.08086	1.4
124.05199	0.4
125.05953	0.7
125.09615	3.3
127.07545	7.1
127.11208	0.3
135.04460	0.3
135.08038	1.6
137.09599	0.9
139.07541	2.0
141.09108	0.6
141.12650	0.3
151.11145	0.8
153.09131	4.4
153.12767	0.9
155.10704	1.8
161.04526	0.3
163.11200	3.0
165.05133	0.3
165.12810	1.8
167.10538	0.4
168.97591	0.3
169.12215	0.7
171.10172	9.3
177.12640	0.4
178.09891	1.4
179.10661	0.5
181.12253	1.3
183.13799	0.4
185.11751	10.1
186.12105	0.6
191.10703	1.0
191.14348	1.4
193.12257	1.3
195.13863	0.4
197.11766	17.2
198.12155	0.8
199.13321	0.8
201.11177	0.7
205.16013	0.5
207.10197	1.1
209.11768	40.2
210.12100	2.6
211.13345	5.5
219.13771	0.6
221.11858	0.6
225.11253	0.5
227.12756	0.8
229.14398	0.4
230.59334	0.3
235.13385	0.7
236.10573	1.1
237.11195	0.4
237.14960	1.0
238.12062	3.0
239.12776	0.3
239.16440	0.4
245.19044	2.8
249.14873	1.5
253.09193	4.7
255.12321	0.6
256.13226	1.6
263.20129	0.9
265.18048	0.7
267.16086	0.5
271.16962	0.7
279.19675	0.9
281.21280	0.5
289.18103	7.5
290.18362	0.4
291.19675	2.1
307.19141	59.3
308.19440	4.8
309.20682	8.0
310.20990	0.4
325.20187	100.0
326.20526	7.2
327.21725	0.7
545.30103	0.6
852.49854	0.3
871.43042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.5
69.03333	3.6
71.00367	1.1
71.01254	8.9
71.04887	1.7
72.99172	0.5
73.02805	2.5
75.00746	1.0
80.02537	1.2
81.03348	0.6
83.01254	1.4
83.04902	3.5
84.02042	1.6
85.02824	10.7
87.00740	1.9
89.02310	6.0
95.04905	2.0
96.95904	2.6
97.02821	2.5
97.06470	3.8
99.00735	0.7
99.04383	1.0
99.08027	1.0
101.02328	7.0
101.02941	1.0
109.02843	0.6
109.06488	2.5
110.37130	0.5
111.00789	0.6
111.08070	0.6
112.05170	1.0
113.02338	4.3
115.07496	1.1
119.03407	1.3
123.04391	0.6
123.08048	0.8
125.05979	1.1
125.09623	4.6
127.07556	3.4
127.11172	1.5
131.03300	0.6
132.02852	0.5
135.08049	1.8
137.09599	3.5
139.07576	0.6
141.09090	0.7
141.56471	0.5
145.04987	0.5
151.11226	0.6
153.09123	11.2
155.10652	1.9
161.04472	3.9
163.11223	2.3
165.12796	2.9
167.14247	0.6
171.10185	54.3
172.10516	2.3
177.12798	0.9
178.09920	2.2
179.05559	1.2
181.12274	0.7
183.13824	3.7
185.11719	4.6
190.09883	0.6
191.10680	1.3
191.14279	1.1
193.12267	1.8
197.11749	8.5
198.12163	0.9
201.11244	2.0
209.11780	35.6
210.12090	1.7
211.13356	14.8
211.15370	1.0
212.13652	0.9
217.15712	0.7
219.13875	0.8
221.11818	2.4
227.12918	1.2
229.14375	8.2
235.08194	8.7
235.13264	0.7
237.14999	0.8
238.11989	1.2
239.12880	1.6
239.16637	0.5
245.19112	2.2
247.20755	0.6
249.14972	0.5
253.09261	27.1
254.09636	1.5
263.20099	1.2
279.19592	1.3
281.68976	0.5
289.18100	11.7
290.18558	1.4
291.19638	4.1
292.20038	0.7
297.20712	1.4
307.19147	56.5
308.19565	5.4
309.20651	8.0
325.20206	42.4
326.20551	3.6
327.21762	100.0
328.22150	10.0
328.25967	0.7
343.21271	2.9
407.19180	1.7
474.21054	1.1
523.49304	0.5
525.26898	0.9
531.67059	0.6
543.28094	17.3
544.28351	2.8
545.29370	2.1
561.29279	5.9
562.29492	1.1
563.30658	6.4
617.41681	0.9
635.41742	1.4
717.41150	1.2
784.42279	3.7
785.44000	0.7
853.49457	12.8
854.49994	3.4
871.50372	5.1
872.51324	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	871.488
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61518	0.6
61.98711	0.7
63.96117	1.4
69.03330	1.0
70.02879	2.1
71.01254	10.3
73.02816	1.7
78.95766	0.6
78.98460	8.7
79.95605	20.3
80.96390	97.2
81.03316	0.9
82.95979	0.7
85.02811	3.9
87.00758	3.2
94.97960	19.7
95.01277	0.7
97.02850	1.8
98.20387	0.6
101.02322	3.0
106.97961	4.1
122.97467	5.4
124.81957	0.6
125.02349	3.3
127.03939	0.9
134.97473	6.4
136.99040	1.9
148.99062	6.5
149.60913	0.7
152.98531	7.6
164.98544	13.4
202.00656	0.6
206.99629	3.5
225.00693	19.8
260.23108	0.6
279.23309	1.1
283.04947	0.7
305.70190	0.6
391.45505	0.6
461.65985	0.6
506.05148	0.7
526.32898	0.6
559.25189	0.8
561.26996	1.1
583.53461	0.7
591.24768	1.0
639.58496	0.7
849.55920	0.7
871.48767	100.0
872.49152	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	869.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.6
67.06748	0.2
68.99686	0.4
69.03317	1.4
71.01253	15.0
72.99174	1.3
73.02818	2.3
75.00751	0.3
78.95782	1.0
79.95605	1.0
80.96400	1.9
81.03323	0.7
83.01261	1.7
83.04892	0.4
85.02830	4.3
87.00752	3.2
89.02316	14.2
91.03899	0.2
93.03330	0.2
94.97988	0.2
95.01260	1.3
97.02832	2.7
97.06426	0.2
98.20656	0.5
99.00758	1.1
99.04408	0.3
101.02325	11.3
102.02655	0.2
110.98450	1.3
111.00752	0.5
111.04362	0.3
113.02333	6.9
119.03397	3.4
125.02344	5.7
131.03371	0.6
133.04948	0.3
134.97401	0.3
139.03885	0.3
139.47827	0.2
141.01816	0.6
143.03398	2.6
149.02307	0.3
149.04472	0.5
149.13168	0.3
161.04460	3.5
165.12729	0.3
167.03374	0.3
167.10628	0.3
167.14351	0.7
167.46370	0.2
171.10207	0.2
179.05536	4.3
183.13834	6.9
184.14107	0.3
185.02090	3.1
185.04587	0.3
193.12283	1.8
199.06079	0.4
211.13336	100.0
212.13689	5.9
217.07124	0.6
221.06621	1.3
225.00677	0.7
229.73827	0.4
235.08202	5.6
236.08394	0.2
245.06635	0.6
253.09210	1.1
253.14352	0.5
253.21677	1.0
259.08264	0.5
263.07715	0.7
275.19974	0.3
277.21716	44.4
278.22015	4.5
279.23315	3.8
280.23718	0.4
287.07739	1.5
291.19672	0.3
291.23102	0.4
305.08710	1.8
311.22308	0.3
323.09854	1.2
327.21768	0.6
361.11566	0.3
379.12430	6.7
379.16992	0.5
380.12756	0.5
397.13486	33.0
398.13815	2.8
415.14575	7.4
415.19232	0.2
416.14917	0.6
421.07230	0.2
421.23517	0.8
447.25317	2.0
575.25177	0.3
591.26447	2.8
592.26971	0.3
609.27612	3.3
610.27991	0.5
657.34894	0.3
675.35980	0.5
869.47327	2.6
870.47388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	7.9
66.94601	0.5
69.03341	2.1
69.41670	4.7
71.01255	11.0
71.04886	4.5
72.99202	1.1
73.02837	2.6
75.00772	1.0
78.95782	1.1
79.48382	0.4
80.02570	2.1
81.03337	2.8
83.01271	1.5
83.04893	5.0
84.02076	1.9
85.02811	4.3
85.06448	0.8
87.00765	2.5
87.04401	1.0
89.02303	7.6
91.05430	1.1
93.03325	0.6
94.97998	0.6
95.01286	1.5
95.04905	4.2
96.95879	10.8
96.96858	0.7
97.02829	3.7
97.06458	4.3
98.03600	0.8
99.00761	0.8
99.04397	1.5
100.48663	0.5
100.84026	0.6
101.02334	9.1
107.04925	1.9
109.02827	0.8
109.06470	18.5
111.04462	0.7
111.08038	1.3
112.05188	1.4
113.02340	4.2
115.00238	2.7
115.07552	2.4
119.03390	1.4
123.04423	1.7
123.08053	2.1
125.02420	0.9
125.05944	2.9
125.09610	6.0
127.07552	6.3
127.11196	0.7
129.01854	0.7
135.08034	2.9
137.09607	0.7
139.07562	1.3
141.09149	1.3
141.12729	0.6
151.07616	0.8
151.11206	2.4
153.09116	18.0
153.12778	1.2
155.10674	1.1
161.04482	4.3
163.11195	4.9
165.09158	0.9
165.12782	3.5
167.10649	1.1
169.12251	4.1
171.10188	28.1
172.10509	1.2
178.09895	3.2
179.05498	1.1
179.10641	1.1
181.12228	3.6
183.13867	2.7
185.11781	7.0
191.10710	2.0
191.14397	1.9
193.12277	2.2
195.10246	0.9
195.13852	0.7
197.11768	35.7
198.12080	1.5
198.78220	0.8
199.13318	2.6
207.10217	1.4
209.11766	52.4
210.12193	3.2
211.13332	23.6
212.13577	0.8
219.13753	1.0
221.11821	1.2
221.15475	0.7
223.13416	1.3
225.11389	1.3
227.12793	3.7
235.08174	5.8
235.13342	5.1
236.10513	1.3
236.13828	0.7
237.11243	0.8
237.14943	3.4
238.12085	1.7
239.16547	1.0
245.19029	2.7
249.14951	2.1
251.16370	0.9
253.09224	21.6
254.09717	1.1
261.18539	0.7
263.20004	1.6
265.14597	0.7
267.15906	1.1
279.19656	2.4
281.21326	0.7
287.16522	1.0
289.18094	19.8
290.18353	1.9
291.19641	4.5
293.21295	2.0
297.20651	1.6
305.17593	2.5
307.19141	73.9
308.19476	6.0
309.20688	8.2
323.18610	1.4
325.20184	100.0
326.20490	8.8
327.21793	3.9
341.19672	1.2
343.21301	2.0
407.19168	1.7
433.20322	0.7
474.21286	1.3
525.27039	3.2
543.28143	18.1
544.28461	2.0
561.29071	7.4
562.29443	1.5
592.54498	0.7
615.38861	0.8
633.39764	0.7
782.40637	2.4
851.47864	11.6
852.48401	4.0
869.49689	5.0
870.48755	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	869.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	7.9
63.99136	0.5
67.01768	0.7
67.46839	0.4
69.03330	1.3
69.46708	3.2
71.01254	11.9
71.04900	2.8
72.99178	1.5
73.02820	3.0
78.95775	1.6
79.95597	0.7
80.02562	1.3
80.21122	0.4
81.03316	2.6
83.01259	1.5
83.04900	7.2
84.02039	1.9
85.02818	5.0
87.00762	2.3
89.02316	6.3
93.03387	0.8
95.01266	1.6
95.04906	4.6
96.95887	10.1
96.96817	0.9
97.02823	4.9
97.06474	3.4
98.95462	0.8
99.00761	1.3
99.04408	2.3
99.08033	1.6
101.02323	8.7
106.04131	0.6
107.04926	1.4
109.02831	1.3
109.06496	4.3
110.03661	0.9
110.06766	0.5
111.00755	1.2
111.04402	1.3
111.08035	1.4
112.05186	1.6
113.02327	4.8
113.05962	0.6
113.09662	0.7
115.00262	1.6
115.07548	2.9
119.03400	1.7
121.02863	1.0
121.06472	1.0
123.04411	1.9
123.08027	2.8
124.05197	0.6
125.02310	0.9
125.05967	1.9
125.09621	8.0
126.09972	0.7
127.07536	6.4
127.11155	1.0
129.05739	0.5
135.04489	0.7
135.08054	4.4
136.05196	0.5
137.09630	2.2
138.06754	0.5
139.07549	2.0
139.11223	0.5
141.01878	0.6
141.09114	1.7
143.07016	1.1
145.04930	1.5
147.11697	0.6
149.09583	0.8
151.07542	0.6
151.11157	1.2
153.09119	25.9
153.12659	0.7
154.09464	0.8
155.10721	3.3
161.04451	2.7
161.09544	0.5
163.11183	4.4
165.09109	0.7
165.12753	2.2
167.10718	0.6
169.12283	1.2
171.01071	0.5
171.10185	47.0
172.10512	1.8
175.11278	1.0
177.12680	0.8
178.09927	4.8
179.05507	1.2
179.10664	0.8
181.12305	2.5
183.13808	1.3
185.11748	11.9
186.12091	0.5
191.10695	3.2
191.14343	2.6
192.11308	0.5
193.12260	1.4
194.53168	0.5
197.11780	16.9
198.12076	0.9
201.11287	0.9
207.10220	1.7
209.11772	76.4
210.12131	5.8
211.13321	6.1
215.12679	0.5
219.13829	0.6
221.11771	1.4
223.13339	2.0
225.11295	1.2
227.12868	2.1
229.14354	0.7
233.60468	0.5
235.08191	6.2
235.13463	1.6
235.20818	0.7
236.10469	1.6
237.11273	1.0
237.14915	1.1
238.11961	2.3
239.12865	1.7
243.17555	1.0
245.19113	5.2
249.14912	1.3
251.16501	0.7
253.09244	16.3
253.18018	0.8
254.09576	0.7
256.13147	0.6
261.18506	0.8
263.20224	1.8
265.14569	1.0
265.17950	0.8
267.15961	0.7
271.17059	1.2
279.19647	3.2
281.21265	1.0
287.16537	1.2
289.18097	21.2
290.18402	2.4
291.19681	3.1
293.21057	0.6
297.20752	2.1
305.17621	4.3
307.19141	100.0
308.19476	9.2
309.20709	11.4
310.21088	0.8
319.19086	0.8
323.18640	3.8
323.22028	0.9
325.20181	55.3
326.20596	5.1
327.21768	8.1
328.22116	0.8
341.19772	1.2
373.99084	0.6
407.19189	1.9
441.72787	0.5
445.20288	0.6
474.21008	1.6
525.27155	2.8
526.27344	0.6
541.26666	1.0
543.28119	24.7
544.28607	3.2
545.28613	0.6
561.29102	5.6
562.29169	0.9
615.39014	0.7
633.39813	0.5
693.38446	0.7
697.38324	2.9
698.39252	0.7
709.37842	2.2
715.39099	0.9
723.39813	0.7
727.38989	1.9
728.39191	0.9
735.39856	0.8
737.40466	0.7
753.40497	1.2
754.41559	0.9
755.42822	0.8
764.39764	1.5
782.40753	4.0
783.41309	1.3
815.45715	0.8
833.46930	8.0
834.47217	1.6
851.47974	12.2
852.48352	3.7
869.49768	5.0
870.49176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98409	0.2
70.26487	0.1
70.26865	0.2
71.01278	0.1
72.46298	0.1
77.53273	0.1
80.96388	0.1
82.71526	0.1
89.02289	0.1
120.03580	0.1
151.86903	0.1
152.87314	0.1
211.13429	0.3
228.78712	0.1
277.21808	0.3
293.21252	0.1
294.21487	0.2
397.13373	0.1
447.56897	0.1
647.88062	0.1
869.47906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56284	0.9
61.98705	33.1
62.78338	1.1
63.96064	1.1
63.99137	1.1
68.77564	0.9
71.01259	9.9
71.51974	1.8
73.02798	1.6
78.98458	5.8
79.95604	48.3
80.96391	75.1
85.02826	2.9
87.00739	2.3
89.02312	1.4
91.34727	1.0
94.97967	17.6
96.95880	2.6
97.02812	2.1
101.02307	3.6
106.97990	2.5
122.97475	4.1
125.02320	2.2
127.03880	1.2
128.76578	0.9
129.78647	1.1
134.97452	5.3
136.99049	2.3
148.99059	7.5
152.98492	6.2
161.04370	1.9
164.98518	11.6
173.20813	0.9
197.09084	1.0
206.99654	5.9
211.13341	8.5
225.00681	23.5
241.00104	1.7
244.06958	1.1
255.23364	1.2
277.21744	2.6
283.04898	4.1
294.21426	1.0
309.20587	1.5
318.26074	1.0
341.05374	2.7
355.07022	2.2
388.54294	1.0
397.13132	2.2
411.13589	1.2
477.17996	1.2
575.25385	4.1
591.70575	1.0
647.27692	1.6
731.36871	1.7
869.47217	100.0
870.47559	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	17.6
63.78704	1.7
69.03325	2.3
71.01256	14.5
71.04909	2.2
73.02830	3.6
81.03320	2.4
83.01251	2.5
83.04884	4.6
85.02823	4.7
87.00751	1.9
88.98682	3.4
89.02305	10.2
89.96281	1.9
92.76491	1.7
95.04912	4.3
97.02867	2.6
97.06498	4.6
98.20669	3.9
99.04380	3.2
101.02324	13.5
106.04094	2.3
107.04913	4.7
109.06503	5.2
111.00732	3.7
111.08054	2.4
113.02354	5.7
115.07518	2.3
115.61941	1.8
116.92738	18.4
119.03402	3.3
121.10136	2.1
122.03654	1.8
125.02412	2.0
125.05987	4.9
125.09615	8.7
127.07555	3.4
127.11217	1.7
128.03421	1.8
129.01712	1.8
135.08031	4.1
139.07478	1.7
143.04457	1.6
143.07043	5.1
149.09631	3.1
151.11166	2.6
153.09132	19.8
161.04515	3.5
163.11215	7.0
165.12767	6.4
169.12263	9.5
171.10168	34.6
172.10558	2.4
178.09914	2.7
179.05598	2.1
181.12219	5.3
183.94675	1.9
185.11821	8.9
191.10783	2.5
191.14362	3.1
197.11748	19.9
209.11769	72.8
210.12134	4.7
211.13441	4.2
217.16032	1.7
225.11179	2.7
227.12746	2.6
235.08191	6.8
237.15009	2.5
245.19112	5.6
247.20644	3.3
249.14920	1.9
253.09267	23.3
255.19507	1.8
263.20190	3.3
275.74097	1.8
277.21793	5.7
289.18109	26.1
291.19669	50.8
292.20004	4.6
293.21280	5.3
305.17639	2.0
307.19135	98.7
308.19473	11.4
309.20697	21.8
310.21216	2.2
323.22256	100.0
324.22610	9.6
325.20184	49.3
326.20331	2.7
339.21783	7.0
341.23309	2.1
345.37170	2.1
411.88254	1.7
521.55713	2.0
525.27185	9.0
543.28033	27.6
544.28522	2.6
559.31287	4.6
561.29474	4.4
741.40643	7.7
780.43884	4.1
835.48328	2.5
849.50031	15.9
850.50116	2.8
867.48804	11.8
868.47253	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	867.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	7.2
69.03333	1.4
71.01251	16.3
71.52486	1.7
72.99193	1.2
73.02823	3.3
81.03322	1.4
83.01259	2.0
83.04881	2.3
84.02026	2.3
85.02817	3.5
87.00766	2.1
89.02307	8.9
95.01259	1.4
95.04879	1.8
96.95872	3.4
97.02823	4.7
97.06485	7.3
101.02328	11.0
109.06486	1.6
111.00764	3.9
111.08001	3.0
113.02351	5.9
113.09576	2.8
115.07494	2.0
116.92736	1.2
119.03374	3.6
119.08516	1.7
123.04406	2.4
123.08011	2.2
125.05973	6.1
125.09614	5.7
127.07500	2.8
135.08072	2.4
137.09612	4.8
139.07582	1.8
141.09093	2.3
143.03348	1.4
143.07033	7.1
151.11200	6.1
153.09123	7.3
155.10631	1.5
161.04425	3.4
163.11226	7.1
165.12773	4.5
167.14346	2.0
169.12254	15.1
171.10179	24.2
172.10497	1.6
177.12810	1.3
179.10739	1.7
181.12257	5.8
183.13821	1.4
185.11772	7.6
191.10605	2.1
191.14310	5.4
193.12247	4.9
195.13747	2.3
197.11775	6.4
207.10312	3.0
209.07982	1.6
209.11745	27.0
211.13315	8.1
217.15866	2.5
221.11842	1.8
221.15453	3.6
223.13287	1.5
225.11293	2.9
225.14932	4.5
227.12778	3.0
229.14174	1.6
235.08127	8.1
237.11272	1.8
239.12901	1.6
241.14421	2.9
243.15704	1.5
245.19049	15.3
247.20631	3.7
253.09239	28.9
254.09602	1.4
263.20190	2.6
271.16931	1.9
273.18680	1.6
275.20300	1.4
289.18115	54.9
290.18433	4.1
291.19659	43.0
292.19955	4.9
293.21152	4.5
307.19138	58.6
308.19562	6.1
309.20703	100.0
310.21161	8.6
321.20682	4.9
323.22281	31.7
324.22614	2.6
325.20236	14.5
339.21759	50.2
340.22055	5.3
341.23318	39.7
342.23602	4.0
355.24863	1.7
444.99350	1.5
445.20840	1.5
525.27179	3.4
527.28784	2.2
528.28619	1.5
543.28076	8.8
544.28516	1.7
545.29761	14.2
546.29797	2.7
559.31281	1.6
561.29248	2.7
741.40503	8.6
849.49377	4.4
850.50629	2.5
867.49908	11.4
868.49152	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	867.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	5.9
69.03304	1.9
69.18157	1.6
69.19894	16.5
71.01260	16.6
72.99172	5.3
73.02817	3.5
74.01778	1.6
78.73595	1.7
81.03325	1.8
83.04886	5.6
85.02827	5.6
87.00763	3.6
89.02325	9.0
95.04903	3.0
97.02827	4.0
97.06482	11.5
101.02335	11.1
111.00655	1.8
113.02322	9.3
118.95810	1.6
119.03390	3.3
123.09058	1.6
125.02313	3.8
125.06007	16.2
125.09612	1.6
127.07533	3.1
131.03391	1.9
134.71309	1.4
135.76160	1.5
138.83099	1.7
143.03424	2.5
143.07045	41.6
151.11189	22.2
159.73166	1.8
160.56746	1.6
161.04510	3.9
165.12688	3.5
169.12262	83.2
170.12637	3.3
171.10184	6.8
179.05515	2.5
181.12215	3.3
185.11781	2.0
195.10078	2.7
195.13957	1.9
197.11803	4.0
209.11772	34.9
209.13741	1.7
210.12137	2.7
211.13290	2.5
213.11275	12.2
221.15370	2.0
226.76628	1.7
235.08139	6.0
247.20671	2.8
253.09315	7.9
277.21753	23.4
278.22092	2.3
289.18149	3.7
290.18588	2.5
291.19669	28.9
292.20142	1.7
293.21225	4.7
307.19150	3.4
309.20700	27.4
310.20984	3.9
323.22150	3.8
325.20184	2.8
338.14191	2.0
341.23175	2.1
350.21710	1.9
379.12360	3.6
397.13443	13.2
415.14630	3.6
431.18814	1.7
449.20239	2.9
545.49194	1.7
741.40668	100.0
742.40948	22.2
842.57501	2.3
867.47491	62.3
868.47913	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	867.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	8.1
69.03323	2.3
71.01249	17.4
71.04890	2.2
71.51739	2.4
72.99182	3.2
73.02853	3.3
78.06963	1.6
83.01279	2.1
83.04874	3.3
85.02827	3.9
87.00758	2.6
89.02309	10.5
95.04915	5.2
96.87947	1.5
97.02849	3.5
97.06483	12.6
99.00823	1.4
101.02338	10.9
107.04862	1.9
109.06484	13.7
109.15650	1.5
111.00761	3.3
111.08041	6.7
113.02374	7.6
116.92729	2.4
118.76279	1.5
119.03413	1.6
125.02322	1.6
125.05941	11.6
125.09614	4.1
127.07507	2.0
139.07550	1.8
143.07045	42.4
151.11186	21.5
153.09131	4.6
155.10770	1.5
161.04454	3.2
165.12756	3.8
169.12262	100.0
170.12569	4.2
171.10185	13.8
181.12247	6.3
183.13873	3.1
185.11731	2.4
188.74945	1.6
193.12323	3.5
197.11752	41.5
199.13252	2.6
209.11809	12.6
211.13376	17.9
213.11249	14.4
225.15103	2.8
227.12952	3.7
235.08209	5.0
235.13321	3.9
245.19040	2.9
253.09285	24.4
263.20020	3.3
277.21747	3.0
289.18002	9.2
291.19666	35.6
292.20151	2.8
293.21161	2.6
305.17566	1.9
307.19141	26.0
308.19763	4.4
309.20667	8.9
321.24469	3.5
323.22241	69.0
324.22647	6.1
325.20187	50.0
326.20590	6.1
327.21652	2.8
341.23166	14.2
398.34641	1.6
449.20135	3.0
543.28198	5.5
561.29047	3.2
741.40759	86.4
742.41144	15.9
849.51099	2.4
867.47650	50.1
868.47791	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	866.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
64.47126	0.2
71.01256	0.4
71.52000	0.3
78.37207	0.2
88.98681	0.4
96.95901	0.6
100.47960	0.2
104.51477	0.2
109.06447	0.2
171.10144	0.2
175.02513	0.2
182.68051	0.2
185.11763	0.2
209.11893	0.2
267.30869	0.2
309.20740	0.3
504.16830	0.2
858.66943	0.2
865.75146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
64.23042	0.2
67.56756	0.2
71.01254	0.3
75.15718	0.2
80.96408	0.5
89.02317	0.2
147.42368	0.2
155.85254	0.2
156.66591	0.2
171.10239	0.2
174.31966	0.2
229.40050	0.2
255.23430	0.3
277.21802	0.3
291.19781	0.6
292.20007	0.3
293.21136	0.3
294.21344	0.3
309.20889	0.3
339.19830	0.3
400.01843	0.2
444.81693	0.2
487.60400	0.2
866.48761	0.2
867.48761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10404	1.8
67.66092	1.9
78.95776	82.6
79.95630	2.5
80.96380	6.9
85.21481	1.6
91.04913	1.7
96.36262	2.0
96.96827	17.0
98.19786	3.8
129.09143	2.3
152.99484	18.3
159.76060	1.6
171.10257	1.9
197.11734	4.4
211.13403	6.9
223.00092	6.2
225.00601	3.2
229.37228	2.0
241.01164	33.4
242.01466	2.4
255.23257	43.1
256.23486	5.2
259.02249	2.6
293.21237	13.2
311.22287	15.9
346.56931	2.4
391.22635	3.2
493.44406	1.9
553.27936	3.1
683.13452	2.0
865.50787	100.0
866.50946	33.2
898.64294	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	865.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51828	2.0
72.92623	2.0
82.16609	2.1
83.01264	4.2
85.46227	2.1
86.66862	2.2
89.44578	2.0
92.51833	2.0
100.29705	2.1
104.48624	2.0
109.02868	13.7
111.13387	2.0
123.04433	6.6
125.02331	100.0
133.02815	4.7
137.02357	14.5
137.05240	2.4
141.06775	2.3
149.02376	2.7
151.03925	10.3
161.02350	32.2
162.02881	2.3
163.03923	3.8
164.01073	5.7
165.01772	5.3
175.03876	14.5
177.01839	11.8
179.03355	2.2
187.03973	4.1
188.04950	2.7
189.01822	3.1
199.03918	4.3
203.03552	3.3
203.07063	4.3
205.05013	3.1
217.05009	8.7
229.04990	2.8
243.02910	16.5
245.04514	12.0
245.08168	7.6
255.02957	10.0
256.03787	3.6
261.04065	7.3
281.04434	2.5
283.02441	2.7
287.05603	27.9
289.07156	26.9
290.07474	4.8
299.05826	4.6
325.93237	2.3
341.06665	4.2
405.06097	6.6
407.07663	28.8
407.48056	2.1
413.08835	5.8
417.06171	2.5
425.08762	17.2
449.08694	7.3
451.10315	8.4
525.07953	3.0
543.09558	5.1
575.11987	5.2
577.13409	13.3
587.11957	4.5
695.14038	6.6
713.15131	4.4
865.50250	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	863.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	5.4
71.01250	4.9
71.04885	1.3
80.96390	4.9
85.02776	1.6
87.00755	1.9
89.02302	2.3
98.73129	1.1
101.02297	3.5
109.06483	3.2
113.02339	1.8
145.06450	1.2
161.04488	2.0
164.98579	1.9
229.16469	1.5
235.08179	5.7
245.19049	3.5
253.09351	10.7
255.23297	2.4
277.21732	100.0
278.22018	9.0
289.18097	58.9
289.20529	1.2
290.18423	4.3
293.21115	3.4
307.19202	6.8
317.58255	1.2
397.13531	2.0
525.60150	1.3
536.35303	1.3
863.48871	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	863.225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.3
68.99725	0.3
71.01253	1.1
73.02821	0.4
78.93948	0.3
82.58414	0.3
83.01248	2.9
84.02034	0.4
85.02822	21.3
86.03159	0.5
91.45647	0.2
93.03331	2.3
98.19756	0.5
101.02315	0.9
110.99992	0.4
111.00764	8.3
115.07526	3.1
129.01830	13.1
129.80373	0.3
130.02126	0.6
137.02325	3.6
161.04428	0.6
166.61174	0.3
175.00323	0.4
183.04478	1.8
183.10307	0.3
187.02426	1.1
191.82443	0.3
195.04556	0.4
199.03937	0.8
205.03468	9.2
206.03769	0.4
211.03891	3.3
223.04541	1.0
227.03471	5.0
228.03802	0.3
229.05096	0.3
237.02008	0.5
238.02655	1.0
239.03352	1.4
241.92610	0.3
243.02850	0.4
254.02151	0.9
255.02992	9.1
256.03387	0.7
258.01761	0.7
259.02481	1.4
266.02237	1.0
267.02902	0.8
268.03690	0.5
269.04456	0.3
271.02490	3.0
272.03207	1.5
273.04050	3.7
274.04489	0.3
281.04575	0.6
282.01569	0.3
283.02463	100.0
284.02814	7.6
285.04080	1.8
296.03311	1.0
297.04007	1.3
299.01682	0.4
301.03537	12.5
302.03885	1.2
303.10919	0.4
304.02075	0.3
313.03543	1.8
321.11884	13.6
322.12277	1.0
325.03479	6.1
325.07031	0.5
331.04605	5.2
332.05026	0.7
343.04474	0.6
362.98956	0.3
385.05634	0.6
403.06668	19.1
404.07043	1.7
421.07547	3.6
422.07721	0.4
529.11365	0.3
541.09857	63.6
542.10266	8.5
586.35022	0.3
612.61108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	10.0
66.52184	6.4
70.10696	24.9
70.11058	5.7
76.28809	5.7
89.02327	9.2
98.19896	8.4
106.09155	5.1
107.75860	5.3
113.73698	6.7
115.34594	5.7
171.10194	13.7
199.13322	6.4
211.13329	8.7
235.08278	28.4
253.09201	39.7
277.21698	68.4
291.19785	6.5
309.20691	22.4
327.21704	100.0
355.08682	6.2
545.30035	12.8
563.30786	14.5
733.18878	6.4
823.52173	9.1
859.49689	26.8
860.50226	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	861.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99174	12.4
61.98703	37.7
69.03339	2.1
70.67060	4.3
70.67413	3.2
71.01249	27.7
72.99173	7.0
73.02811	3.6
75.00748	3.8
78.95795	2.3
79.49649	1.7
83.01262	2.2
83.04878	1.9
85.02819	7.1
87.00761	12.7
88.98674	64.9
89.02319	28.4
97.02836	4.7
97.06479	10.9
99.00739	2.6
101.02320	20.1
105.01813	10.5
111.08070	2.0
113.02327	11.7
113.18335	2.0
115.82824	2.0
119.03379	5.2
123.08022	5.6
125.02325	7.8
125.09615	74.1
126.09933	2.9
138.09711	1.9
143.03395	4.1
152.99333	2.0
153.94577	1.9
161.04436	7.1
163.16675	1.9
171.10179	90.6
172.10469	3.2
179.05528	6.6
181.12128	2.0
187.09694	44.7
197.11734	3.6
209.11673	2.4
211.13226	2.8
221.06522	4.5
235.08168	4.9
247.20679	2.6
253.09367	3.1
256.35477	2.1
274.71799	2.4
275.20099	2.1
275.62332	2.2
291.19653	28.9
292.20007	2.2
293.21216	7.1
309.20721	100.0
310.21066	8.1
323.09973	2.3
379.12399	4.4
397.13437	35.6
398.13437	2.2
415.14597	10.6
585.24017	2.4
689.33679	6.6
707.34943	10.8
780.31989	2.3
802.78271	2.1
861.44977	78.3
862.45325	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	859.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99799	1.1
60.88865	1.2
71.51672	2.1
81.85188	1.2
109.02838	4.5
110.65881	1.2
112.44049	1.5
125.02321	2.3
137.02364	2.0
143.04900	1.4
151.00267	5.1
163.00298	1.1
165.01825	2.8
178.99840	1.4
180.59990	1.2
197.38652	1.3
203.03380	1.9
204.16039	1.2
206.99223	1.3
227.03595	1.4
229.01375	1.6
230.02037	1.6
231.02853	1.4
243.02861	2.3
258.01688	10.9
259.02460	8.6
271.02502	8.2
272.03177	2.2
273.03943	6.5
274.01144	28.6
275.01895	5.9
285.03769	1.5
286.00992	1.4
287.01996	11.4
288.02765	9.5
289.03473	9.0
301.03494	25.0
313.03403	2.2
317.03006	65.1
318.03488	6.0
329.02975	2.4
331.04572	12.2
347.04105	21.9
348.04422	3.1
367.29068	1.6
385.59494	1.5
419.06198	2.0
421.07785	29.6
422.08069	4.1
437.07217	100.0
438.07629	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	857.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51344	7.5
71.51698	7.0
73.93683	5.0
92.26943	5.3
116.21852	6.0
211.85429	5.4
223.62981	4.9
243.02913	15.2
245.00931	7.0
258.01743	7.8
259.02417	11.7
271.02448	12.0
272.03281	12.2
273.00394	6.9
274.01166	7.8
275.01712	7.7
287.02042	14.2
288.02634	11.6
299.01785	12.1
301.03384	15.4
317.03009	6.1
329.02911	6.5
331.04584	7.8
345.02631	7.8
407.04178	6.4
460.65637	5.6
651.71539	5.4
695.09009	6.7
737.09784	18.9
839.12683	9.9
857.14264	100.0
858.15320	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	857.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83344	2.8
70.42736	6.1
83.33601	2.3
87.04079	2.6
125.02297	3.1
205.78947	2.9
207.09074	2.6
215.03317	2.9
229.01262	4.8
231.02692	3.3
242.02113	6.4
243.02957	16.4
245.00839	6.9
257.00891	3.8
258.01602	7.9
259.02438	15.6
271.02536	20.0
272.03201	6.1
273.00247	5.1
274.01218	9.0
275.01837	5.7
285.03699	2.7
287.01859	9.7
288.02658	4.6
289.03424	2.6
291.54745	3.2
299.01880	9.4
301.03470	19.4
314.03644	3.4
315.01270	7.7
317.02948	10.9
329.02927	9.8
331.04501	11.7
345.02411	4.4
347.03989	4.4
365.02975	3.6
379.04721	3.7
407.04126	3.1
419.05643	3.1
423.03662	3.1
437.05344	5.0
545.09088	3.8
571.07715	3.9
694.08307	7.0
695.08960	11.7
737.09827	21.0
738.10468	4.2
767.10931	8.5
839.12878	9.3
857.14093	100.0
858.14410	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	857.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55717	5.5
61.71416	6.0
67.93897	5.8
77.48559	6.0
84.88109	6.4
88.35755	6.5
90.21131	6.0
96.04771	6.1
138.51527	6.3
243.02870	11.8
245.00775	14.0
257.00967	5.8
259.02402	16.3
271.02499	25.3
272.03287	24.1
273.00418	18.6
273.04022	6.5
274.01144	6.6
287.01855	32.9
288.02524	6.7
299.02078	18.2
301.03500	35.6
315.01324	10.2
317.03159	15.5
329.03149	17.0
331.04657	19.7
345.02383	8.9
391.04483	6.4
423.03696	6.8
435.05835	9.8
453.04562	7.9
509.07407	7.2
695.08618	8.8
737.09723	38.5
738.10864	12.8
767.11194	14.0
797.11603	6.8
839.12933	15.1
857.14178	100.0
858.13940	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	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14376	0.4
69.03328	2.9
70.90186	0.9
71.00898	0.6
71.01253	6.7
72.99152	0.5
73.02802	1.4
77.49905	0.4
77.88292	0.4
81.03284	0.4
83.01231	1.4
83.04882	0.9
83.33216	0.4
85.02354	0.7
85.02824	10.3
87.00719	1.4
89.02312	4.7
93.49220	0.4
95.01231	0.6
96.95850	0.5
97.02828	2.6
97.03312	0.4
97.06470	4.1
101.02327	6.1
109.28292	0.4
111.08056	0.7
113.02336	3.5
113.09579	1.9
115.07522	1.3
118.23872	0.4
119.03367	1.5
119.08530	0.7
123.08088	0.5
125.09604	1.8
126.06769	0.4
127.11159	1.3
137.09619	3.1
141.09106	0.9
145.04939	0.8
151.11168	0.7
153.09134	0.5
153.12770	0.5
155.10641	1.3
161.04463	2.6
163.11147	0.4
165.12741	3.6
167.10690	0.5
167.14287	1.4
171.10173	32.0
172.10478	1.5
177.12703	1.1
179.05482	1.8
179.14195	0.5
181.12271	3.2
183.13890	3.7
185.11818	0.9
185.97110	0.5
193.12297	2.1
193.15874	1.0
195.13857	2.6
197.11780	1.5
201.11229	1.5
209.11766	1.3
211.13333	13.3
212.13693	0.9
221.11871	2.8
221.15413	2.2
225.53842	0.4
229.14420	9.9
230.14729	0.5
235.08171	6.0
239.12799	1.9
240.13704	0.5
247.20647	4.3
249.56760	0.4
253.09241	20.7
254.09607	1.5
263.20258	0.9
273.18683	2.3
281.21136	1.5
291.19656	36.4
292.20050	4.0
293.21118	2.0
307.19244	1.1
308.19467	1.0
309.20703	100.0
310.21048	11.9
311.22165	1.5
325.20255	0.5
327.21753	90.6
328.18414	0.8
328.22110	10.6
343.21057	0.8
397.96313	0.4
498.03793	0.5
527.28564	1.3
545.29657	19.5
546.30121	2.7
563.30872	5.0
564.30750	0.9
619.42285	1.8
786.44135	0.7
855.50983	8.3
856.51569	2.2
879.24231	0.6
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
59.85801	0.3
61.98673	0.6
62.20823	0.3
64.93871	0.4
67.01690	0.4
67.62305	0.3
69.03320	4.2
70.85072	0.9
71.01249	8.7
71.04853	0.4
72.99135	0.6
73.02814	2.2
80.02505	0.6
81.03329	0.6
83.01213	1.5
83.04856	1.3
84.02010	0.8
85.02820	11.3
87.00769	1.8
89.01833	0.4
89.02316	5.5
95.01234	0.8
95.04877	0.8
97.02262	0.4
97.02822	5.6
97.06461	3.3
99.00711	0.5
99.04345	0.4
101.01709	0.5
101.02320	8.1
109.02782	0.4
109.06406	1.0
110.01990	0.3
111.08035	6.0
113.02323	4.1
113.45368	0.3
119.03339	1.6
119.08508	0.9
123.04404	0.4
123.07967	0.5
125.02235	0.4
125.09607	2.1
127.07489	0.6
127.11164	2.2
133.04950	0.5
137.09607	4.5
143.03371	0.6
145.04906	1.0
151.11113	0.7
153.09027	0.4
153.12721	0.5
155.10631	0.9
161.04477	3.6
163.11115	1.6
165.09116	0.4
165.12749	3.7
167.14371	0.5
169.12230	2.0
171.10175	34.7
172.10489	1.4
177.12709	0.5
179.05534	1.1
179.10576	0.4
179.14211	0.6
181.12285	1.7
183.13821	4.3
185.11719	0.9
193.12213	1.5
193.15828	0.4
195.13821	0.7
197.11755	27.8
198.12053	1.4
199.13289	2.0
201.11206	1.6
203.10608	0.4
209.11760	3.3
211.13335	18.1
212.13643	1.2
213.11308	0.5
221.11710	2.8
223.13312	1.0
227.12819	3.0
229.14400	9.0
230.14716	0.5
235.08186	11.3
236.08418	0.7
239.12827	1.8
247.20636	2.1
251.16492	0.4
253.09261	37.4
254.09607	2.1
263.20074	1.6
265.18066	0.7
273.18546	1.5
291.19653	32.1
292.20041	2.9
293.21176	1.7
293.88516	0.4
308.19604	0.5
309.20697	92.5
310.21039	8.3
325.20450	0.4
327.21750	100.0
328.22079	10.0
343.21301	1.6
527.29089	0.6
545.29541	6.1
546.30042	1.0
563.30872	6.1
564.31189	1.1
619.42065	4.7
620.42828	1.3
680.04352	0.4
797.52313	0.4
855.51312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45855	15.7
61.98702	31.1
62.62976	14.4
64.06238	13.8
71.43194	18.0
78.95782	23.9
108.95747	15.0
116.92937	12.8
123.13761	13.0
133.64445	12.4
169.12329	24.6
172.28688	13.6
197.11684	17.5
209.11870	13.9
213.42610	15.5
235.08177	17.3
253.09282	35.4
277.21738	28.7
291.19574	100.0
292.19980	21.2
293.21265	35.2
307.19235	23.8
309.20697	92.0
310.20761	16.8
409.11444	16.0
545.29382	19.8
710.43823	15.1
819.48022	17.8
855.46912	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15627	2.3
70.99364	6.1
71.01245	4.1
71.05840	2.7
73.16711	2.4
77.34220	2.4
78.78857	2.7
96.15521	2.8
101.75919	2.6
122.05975	10.9
125.08176	2.6
134.05981	9.4
135.06723	3.5
136.03932	2.7
136.07570	2.7
138.05397	2.6
140.07089	12.4
145.29063	2.8
150.05453	4.6
160.03995	4.2
161.04713	11.2
162.05458	8.7
164.03438	3.7
164.07068	3.9
204.06551	10.7
211.08679	3.2
212.05862	14.5
213.10341	3.9
225.06706	3.6
229.09808	3.8
237.10304	10.7
239.08229	16.2
240.09018	6.3
241.09641	5.2
252.08946	5.0
252.12610	12.4
253.06297	15.1
253.09735	20.2
254.10181	4.3
255.11360	9.7
257.09232	5.3
266.06894	7.8
267.07681	24.0
267.11319	8.0
268.08337	12.5
268.12122	10.3
271.02594	2.9
273.12387	3.4
279.07721	7.2
280.08456	19.5
281.09326	32.1
282.09796	3.1
283.10852	10.4
285.09027	6.1
285.12411	11.5
295.10892	51.7
296.11615	31.6
297.12509	13.6
299.10358	14.5
300.11127	4.2
303.13498	19.6
311.10199	3.6
312.10989	2.8
313.11945	6.0
327.13379	15.6
339.09705	12.0
340.10422	7.2
341.11276	3.5
343.12787	4.0
371.12180	3.0
372.13077	4.8
373.13913	5.8
390.14413	8.9
406.13824	5.3
407.14819	4.2
420.15530	2.9
435.18015	4.0
436.00827	3.2
436.18152	2.8
438.16608	2.8
465.18967	3.4
466.16125	6.5
480.17523	6.4
511.19614	12.8
512.20203	3.5
601.22449	2.8
633.25629	52.0
634.25861	9.3
805.29114	9.7
823.29816	5.4
837.31989	100.0
838.32050	22.1
855.16040	5.7
855.32916	88.4
856.33398	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	855.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98683	4.0
71.01267	7.2
71.51595	6.1
89.02305	4.2
99.14380	4.4
102.44330	3.8
108.04420	6.5
110.05967	5.1
122.06011	18.1
134.06020	27.4
136.07591	9.6
138.05527	3.6
140.07086	33.6
146.06018	5.3
149.04701	7.0
150.05548	4.5
161.04689	6.1
162.05531	22.9
163.06221	4.4
164.03424	7.8
164.07051	20.9
166.04968	5.8
172.03984	6.9
190.05115	7.7
194.89732	4.0
203.05913	3.7
204.06633	15.9
211.08733	4.8
212.05869	15.8
213.10307	5.6
215.40268	4.1
225.10330	5.4
227.11761	5.9
229.09828	7.9
237.10321	14.1
238.07547	5.1
239.08138	19.5
240.08852	6.2
251.08281	5.0
251.11978	6.0
252.12677	10.9
253.06146	19.3
253.09831	30.9
253.12268	4.0
254.10289	4.4
255.11409	13.8
257.09378	10.9
261.12448	12.7
265.06113	7.0
265.09775	6.8
266.06992	15.0
267.07764	31.3
267.11304	11.1
268.08420	20.4
268.12088	11.7
269.12473	4.2
271.02432	5.7
273.12384	4.8
274.20828	4.6
279.07703	12.8
279.11078	3.9
280.08505	44.5
281.09308	40.5
283.02246	4.4
283.10886	16.0
285.08911	9.2
285.12482	21.3
295.10870	99.1
296.11578	39.7
297.12439	18.0
299.10397	12.9
300.11234	7.5
301.11917	5.6
302.12341	6.1
303.13538	61.1
304.13882	5.7
311.10315	7.0
313.12061	6.9
320.09686	4.6
327.13489	27.8
339.09854	26.1
340.10541	9.0
341.11435	8.7
371.12601	27.3
373.13950	10.7
390.14548	7.0
404.16208	9.9
420.15613	6.1
433.07877	20.0
439.16821	5.6
465.18832	17.5
466.16199	6.5
483.20313	6.0
511.19333	18.0
601.23071	24.5
633.25781	66.4
634.25879	10.1
656.78955	4.7
697.85590	4.6
761.30280	4.5
805.29590	49.8
806.29492	13.6
823.30438	67.5
824.30725	12.9
837.32001	100.0
838.33112	24.6
855.32953	80.7
856.33594	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	853.531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03572	0.3
60.98482	0.3
61.98693	0.7
69.03325	2.0
71.01250	7.3
72.99144	0.5
73.02819	1.0
75.00742	0.6
80.02533	0.4
81.03321	0.5
83.01234	0.7
83.04876	1.2
84.02024	2.2
85.02832	1.9
87.00736	0.9
88.50427	0.3
89.02328	4.1
95.01242	0.5
95.04899	1.0
96.95886	0.3
97.02814	1.1
97.06462	8.6
99.00752	0.4
99.04391	1.1
101.02313	5.5
107.04929	0.4
109.06456	0.5
111.08007	1.3
113.02315	3.1
113.09561	0.4
119.03368	1.1
125.05979	0.4
125.09608	1.7
127.07519	0.4
129.01814	0.3
131.03401	0.4
135.08034	0.4
137.09622	0.9
139.07504	1.5
139.11142	0.4
141.09148	0.4
142.75923	0.3
143.03374	0.6
143.09659	0.4
151.11189	0.5
155.10663	0.4
161.04468	3.0
163.11243	0.6
165.09041	0.4
165.12741	1.5
167.10632	0.5
171.08766	0.6
171.10168	10.1
172.10521	0.6
175.11182	0.9
177.12703	0.8
179.05550	0.7
179.14336	0.5
181.12189	0.6
183.13837	1.3
185.10208	0.5
185.11763	4.6
186.12115	0.4
193.12270	11.7
194.12582	0.5
195.13838	7.7
196.14441	0.8
197.11719	1.4
197.15442	0.7
201.11281	0.8
205.12326	0.9
207.10246	0.4
209.11794	2.3
209.13510	0.4
211.13329	5.2
212.13647	0.4
221.11780	0.7
223.13361	4.4
225.14906	17.5
226.15210	1.1
227.12766	0.5
228.13554	1.1
235.08075	2.2
239.12773	0.4
243.15982	7.4
245.19095	0.5
253.09254	31.6
253.14409	1.8
254.09578	1.5
256.13055	0.7
263.20200	0.7
265.21677	0.6
275.20230	4.3
277.21649	1.0
279.19641	0.5
289.18100	1.7
291.19675	5.1
293.21213	84.9
294.21545	8.2
305.17639	0.7
305.21042	0.6
306.17935	0.4
306.68204	0.3
307.19177	2.9
308.19513	0.4
309.20691	8.2
310.20947	1.4
311.22333	1.0
323.22107	0.9
325.20111	1.3
327.21725	0.9
341.23300	100.0
342.23676	9.2
487.51807	0.4
529.29791	0.7
545.29596	0.9
577.32312	3.7
578.32538	0.6
617.44165	7.1
618.44531	1.9
853.48621	1.0
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
61.98695	3.7
69.03322	3.6
71.01254	12.4
71.04882	2.4
71.31148	1.4
71.31492	0.9
73.02811	3.7
80.02541	2.1
81.03305	1.8
83.01237	2.0
83.04888	6.1
84.02016	1.2
85.02818	6.1
85.29458	0.8
86.62766	0.8
87.00742	2.2
89.02309	7.7
95.04906	1.9
97.02833	3.1
97.06463	3.6
99.04382	1.8
99.08038	0.9
101.02312	10.9
103.45662	0.8
109.06498	6.8
111.08039	12.2
112.05178	1.3
113.02346	4.5
115.07570	2.0
119.03430	2.2
121.02843	1.2
123.04406	1.3
123.08065	1.6
123.53853	0.8
125.09603	5.2
127.07513	3.3
127.11065	1.1
135.08076	4.4
137.09598	3.3
141.09106	1.5
145.04945	1.1
151.11166	3.2
153.09122	14.1
153.12671	2.1
155.10643	1.6
161.04448	4.1
163.11197	4.4
165.12819	4.7
169.12273	7.6
171.10185	29.5
172.10487	1.2
178.09879	2.5
179.05550	1.3
179.10629	1.0
181.12180	4.1
183.13799	2.2
185.11755	5.7
191.10703	1.6
191.14336	1.9
193.12270	2.5
195.13762	1.0
197.11766	71.3
198.12148	4.1
199.13350	4.0
207.10184	1.1
207.13724	0.9
209.11777	43.3
210.12097	2.3
211.11475	1.5
211.13356	20.5
219.13812	1.0
221.11836	1.2
223.13281	1.2
227.12903	4.6
229.14426	2.6
235.08231	9.0
235.13412	1.8
237.14789	1.2
238.12196	1.1
239.12866	1.2
245.19099	5.6
247.20570	2.2
253.09251	35.0
254.09506	1.7
263.20245	6.0
265.18079	1.8
267.16025	1.0
271.17023	0.9
273.18622	1.1
281.21268	1.7
289.18115	22.5
290.18433	2.3
291.19672	28.1
292.19861	1.9
293.21198	1.9
297.20685	1.8
306.21857	0.8
307.19144	65.3
308.19489	6.2
309.20712	100.0
310.21094	8.6
325.20193	54.7
326.20554	3.9
327.21735	20.4
328.22089	2.0
407.19214	1.7
433.20715	1.2
525.26917	3.9
543.28076	15.9
544.28552	2.0
545.29633	3.7
561.29047	4.1
617.40656	2.3
706.40973	1.1
755.43176	1.4
766.41180	2.1
835.48572	12.9
836.49335	2.2
853.49634	8.1
854.50177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	2.4
69.03326	1.1
71.01250	12.8
71.04877	2.0
72.99190	0.8
73.02802	2.2
80.02538	1.0
81.03340	2.0
81.56394	0.5
83.01244	0.8
83.04899	4.1
84.02015	1.6
85.02815	3.3
87.00746	1.2
89.02306	6.3
95.01259	1.5
95.04890	3.1
97.02838	1.7
97.06464	4.2
98.19675	1.2
99.00771	0.9
99.04400	1.6
99.08028	1.2
99.51525	0.6
101.02322	9.1
101.19991	0.5
107.04926	0.8
108.02053	0.7
109.06466	4.6
111.00737	1.7
111.08023	2.9
112.05196	1.5
113.02314	4.4
113.05904	0.6
113.09609	2.2
115.07513	2.3
119.03382	1.2
123.04389	1.3
123.08031	1.5
125.02287	0.7
125.05966	1.8
125.09579	4.1
127.07540	5.2
135.08075	2.9
137.09598	2.3
139.07558	1.4
139.11162	1.2
141.09064	2.9
145.04961	0.9
149.09549	0.9
151.11200	1.3
153.09122	16.4
153.12749	1.1
155.10664	2.0
158.26402	0.6
161.04442	4.1
163.11206	4.5
165.12796	4.5
167.10663	0.9
167.14304	2.6
169.12244	2.3
171.10175	28.9
172.10533	1.4
177.12666	0.6
178.09903	2.7
179.05487	1.7
179.10614	0.8
179.14339	0.8
181.12247	4.7
183.13742	1.2
185.11749	7.3
191.10657	2.1
191.14308	1.8
193.12271	2.6
195.13824	2.4
197.11771	25.1
198.12093	1.7
199.13379	1.4
209.11766	55.6
210.12160	2.9
211.13336	9.4
217.15791	0.7
219.13748	0.6
221.11859	0.9
221.15428	2.3
227.12846	2.2
229.14456	1.1
235.08218	7.4
235.13388	0.8
236.10562	1.0
237.14761	0.8
238.12051	1.9
239.12825	0.7
240.13490	0.7
241.14418	0.9
245.19061	4.9
247.20633	3.2
249.14938	1.1
251.16302	0.9
253.09230	21.1
254.09526	1.0
255.15948	1.7
256.13388	0.7
263.20135	3.9
265.18079	0.9
271.17133	0.8
273.18631	2.9
279.19656	1.7
281.21127	3.0
287.16449	0.9
289.18097	17.3
290.18411	1.7
291.19653	36.5
292.20004	3.4
293.21027	0.7
297.20645	2.1
305.17557	1.8
307.19128	78.0
308.19565	6.2
309.20694	100.0
310.21051	7.4
311.22180	1.3
325.20181	51.1
326.20544	4.1
327.21851	3.1
328.22296	0.8
361.23871	1.2
381.22308	0.8
407.19351	0.9
457.29614	0.7
474.21185	1.2
525.27283	2.4
527.28497	2.0
528.28607	0.7
534.91876	0.8
543.28082	26.2
544.28491	3.2
545.29547	8.8
546.30084	1.4
561.29089	6.3
562.29547	0.8
617.40234	0.8
693.38452	2.7
697.38837	0.6
699.39722	1.6
711.39764	0.9
737.41180	0.8
766.41077	4.5
767.41351	1.1
784.41974	1.1
812.97626	0.6
817.46606	1.5
835.48456	14.2
836.48468	3.0
853.49646	8.4
854.50323	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	853.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	2.3
66.63068	0.6
66.80127	0.6
69.03318	3.1
71.00877	1.0
71.01259	13.4
71.04887	1.9
73.02820	2.6
74.44984	0.6
78.59901	0.7
80.02537	1.8
81.03327	1.5
83.01269	1.6
83.04904	5.0
83.08848	0.7
84.02055	1.9
85.02820	5.9
87.00733	2.0
89.02318	6.1
95.01244	1.3
95.04894	3.2
96.95892	0.7
97.02832	7.2
97.06474	3.0
99.00687	0.8
99.04377	2.0
99.08007	0.9
101.02325	9.0
107.04946	0.9
109.06470	3.2
111.00750	0.7
111.08063	6.4
112.05160	1.7
112.19239	0.6
113.02335	6.0
115.07521	1.5
119.03391	2.1
119.08567	0.9
121.06458	0.7
123.04392	1.1
123.08035	1.9
125.02332	0.8
125.05975	1.6
125.09611	8.1
127.07537	4.7
127.11179	1.3
135.08051	4.2
137.09575	3.3
141.09052	1.2
141.12698	1.0
143.03387	1.1
145.04976	0.9
145.22900	0.7
149.09604	1.3
151.11208	1.5
153.09120	22.9
155.10675	2.1
161.04416	3.8
163.11185	6.9
165.12738	6.2
167.10645	1.2
169.12247	3.1
171.10185	40.5
172.10529	1.9
177.12770	0.9
178.09920	2.2
179.05527	1.8
179.10591	1.1
180.59268	0.7
181.12262	3.3
183.13843	1.7
185.11771	8.1
191.10748	1.4
191.14343	2.6
193.12274	2.0
195.13962	0.9
197.11772	36.7
198.12157	2.0
199.13336	2.0
201.11139	0.6
207.10207	1.2
209.11775	62.8
210.12097	2.8
211.13339	11.7
219.13829	1.0
223.13298	2.0
225.11305	0.8
227.12883	3.8
229.14369	2.3
235.08180	7.6
235.13115	0.8
236.10587	1.5
237.11287	1.2
237.14963	0.8
238.12045	1.7
239.12755	1.2
245.19070	6.0
247.20624	3.3
253.09253	25.8
254.09621	1.7
263.20093	3.5
265.18033	1.5
271.16971	1.4
273.18378	1.8
279.19547	1.7
281.21292	1.2
289.18118	23.2
290.18414	3.2
291.19662	41.4
292.19986	3.7
297.20639	2.2
307.19147	100.0
308.19522	8.1
309.20712	84.7
310.21094	8.1
325.20190	47.2
326.20532	3.9
327.21780	18.6
328.22018	1.1
407.19272	1.9
447.69296	0.9
474.20770	0.9
525.26996	3.7
526.27460	1.0
527.28448	1.2
543.28156	24.0
544.28674	3.1
545.29565	3.5
546.29871	1.1
561.29291	6.9
562.29956	0.8
563.30969	1.3
599.40149	0.9
600.80304	0.7
617.40485	1.5
766.41370	2.7
767.41034	0.9
835.48297	14.9
836.48834	4.6
853.49579	8.2
854.50110	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	853.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36915	0.6
61.98708	10.9
67.18022	0.6
69.03324	0.8
71.01258	9.1
71.04897	1.5
72.99191	1.3
73.02817	2.1
80.02515	0.7
80.96430	0.7
81.03305	2.0
83.01262	1.3
83.04900	4.2
84.02049	1.5
85.02826	3.0
85.06429	0.6
87.00739	1.9
89.02320	6.4
93.03309	0.7
95.01255	1.5
95.04897	2.6
97.02858	3.5
97.06466	3.0
98.03632	0.8
99.00732	1.1
99.04369	1.4
99.07991	0.8
101.02328	7.8
109.06478	4.3
111.04376	0.8
111.08038	2.1
112.05188	0.9
112.62405	0.6
113.02333	4.4
115.07509	2.3
119.03406	1.6
121.02857	0.8
123.04401	1.5
123.08015	2.1
125.05957	1.5
125.09634	6.4
127.07536	3.3
127.11165	1.2
130.53897	0.7
135.08038	2.1
137.09578	1.6
139.07578	0.8
141.09091	2.3
145.04944	1.2
151.11179	1.5
153.09135	17.2
153.12720	1.0
155.10695	1.3
157.08644	0.8
161.04454	3.3
163.11211	6.2
165.09059	1.1
165.12781	7.5
167.14352	0.8
171.10185	31.7
173.95370	0.7
177.12779	1.2
178.09891	2.8
179.10614	1.2
179.14377	2.2
181.12305	3.6
183.13831	1.5
185.11746	6.7
190.82414	0.7
191.10722	1.6
191.14386	1.5
193.12177	1.0
193.15871	1.0
195.10277	0.7
195.13875	1.3
197.11795	15.0
199.13388	1.1
201.11343	0.7
207.10234	1.3
209.11781	49.2
210.12122	2.7
211.13345	6.5
221.11838	1.4
221.15347	0.6
223.13351	3.4
225.14952	0.9
227.12807	1.8
229.14339	1.5
229.33278	0.8
235.08195	5.5
235.13387	2.1
236.10493	1.6
237.11285	0.7
237.14876	1.3
238.12050	0.7
245.19145	4.4
247.16925	0.7
247.20699	5.8
249.14856	1.2
251.16475	0.6
253.09264	22.1
254.09543	0.9
263.20081	1.8
265.18347	1.0
273.18643	2.5
279.19693	1.2
289.18100	19.3
290.18539	1.5
291.19669	66.1
292.19980	6.5
293.21274	1.4
297.20605	2.1
303.19629	1.0
305.73041	0.7
307.19147	73.0
308.19431	5.2
309.20715	100.0
310.21008	8.1
325.20193	43.8
326.20490	2.8
327.21808	6.2
335.22079	0.8
343.21393	0.7
465.06778	0.9
474.21292	1.5
516.68872	0.7
525.26990	2.3
527.28485	1.4
528.28632	0.9
543.28088	18.5
544.28375	3.0
545.29297	1.3
561.29272	5.2
599.16254	0.7
617.40125	1.1
675.38867	0.8
709.38251	0.8
762.09460	0.9
766.41760	5.3
767.41241	0.7
817.47241	2.1
835.48657	12.4
836.48834	2.1
853.49237	4.2
854.49341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98671	1.2
63.96107	2.0
66.74555	1.1
69.80516	5.3
71.01249	10.5
73.02809	2.5
78.26293	1.2
78.98465	8.4
79.95607	42.2
80.96391	100.0
85.02816	3.8
87.00742	4.1
90.71285	1.3
91.87922	1.2
94.97964	22.3
96.95860	2.1
97.02810	2.3
101.02319	3.3
106.97963	4.2
122.97471	5.6
125.02327	3.7
127.03880	1.6
134.97482	5.3
136.99022	2.4
148.99031	10.0
152.98515	5.1
164.98540	12.7
206.99614	5.1
225.00694	21.4
283.04898	1.6
341.05475	1.4
355.07190	1.8
429.68280	1.2
559.26080	2.5
631.27490	1.4
731.96521	1.5
853.47760	98.6
854.48053	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	853.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96105	1.2
69.80524	4.2
71.01254	7.6
73.02812	1.7
78.98457	5.4
79.95604	24.2
80.96389	67.4
85.02802	2.1
87.00750	2.6
94.97955	14.9
96.95882	1.0
97.02824	2.0
98.47207	0.7
101.02318	2.1
106.97960	3.6
108.25346	0.8
122.97456	2.9
125.02370	2.2
127.03872	0.8
134.97464	5.3
136.99022	1.4
138.64471	0.8
148.99042	5.5
152.98570	6.0
161.04440	1.2
164.98521	10.8
206.99629	4.2
225.00702	16.5
240.99983	0.9
277.58817	0.9
283.04968	2.3
325.01700	1.0
341.05362	1.6
533.35352	0.8
559.25861	2.3
853.47717	100.0
854.48126	29.1
854.64819	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	853.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.2
69.79382	0.7
71.93648	0.2
86.08363	0.2
109.02847	0.7
124.48165	0.1
148.01515	0.2
155.04974	0.3
157.02922	0.3
159.04395	0.3
161.64244	0.2
167.04927	0.3
171.04395	0.3
175.00308	0.3
183.04437	2.1
185.02359	0.6
197.02489	0.2
199.03883	0.9
209.02339	0.3
209.11815	0.2
210.03073	0.2
211.03937	3.4
213.01857	0.3
215.03349	0.3
226.02715	0.3
227.03445	5.6
227.05692	0.3
228.03856	0.3
229.05121	0.2
237.01921	0.4
238.02643	1.1
239.03438	1.8
240.03949	0.2
241.04977	0.4
243.02983	0.7
251.03210	0.2
253.01576	0.2
253.05055	0.3
254.02182	1.1
255.02957	10.0
256.03372	0.8
256.89105	0.2
258.01672	1.6
259.02426	2.2
265.01440	0.3
266.02209	0.7
267.02991	1.1
268.03799	0.6
269.04462	0.3
270.01749	0.4
271.02472	3.6
272.03198	3.7
273.03836	0.4
281.04523	0.7
282.01685	1.2
283.02463	100.0
284.02808	6.9
285.00824	0.3
285.04028	2.2
286.04422	0.3
287.22296	0.5
295.02286	0.2
296.03238	1.5
297.04004	2.0
298.01144	0.8
299.01920	0.4
301.03485	1.7
311.02020	1.0
313.03464	1.8
314.03952	0.2
324.02832	0.3
325.03528	6.1
326.03891	0.5
331.04596	1.1
343.04520	0.3
355.04480	1.1
367.04468	0.3
385.05600	0.5
403.06653	7.5
404.06903	0.7
449.27390	0.3
525.25079	0.3
543.26050	0.2
705.31567	1.4
733.30695	2.8
734.31757	0.5
745.30597	0.3
763.31635	0.3
853.34949	37.4
854.35260	7.9
874.51520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98398	0.1
63.75474	0.1
79.95618	0.5
80.96392	1.0
94.97972	0.2
98.20591	0.2
148.99095	0.2
164.61766	0.2
164.98569	0.3
185.52676	0.2
225.00784	0.4
229.37749	0.2
304.04422	0.1
627.67767	0.2
796.06891	0.2
853.47797	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	851.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.4
61.98661	1.0
69.03300	1.0
70.07968	0.8
70.08362	0.9
71.01249	6.0
73.02783	1.0
73.40517	0.4
81.03221	0.4
83.01241	0.9
83.04850	1.0
85.02788	1.9
87.00761	2.1
89.02316	4.2
95.01217	0.5
95.04877	0.7
97.02804	1.0
97.06432	0.9
99.00739	0.6
101.01733	0.4
101.02319	6.1
107.04875	0.5
107.63535	0.4
111.00704	1.3
111.08055	3.4
113.02318	2.9
113.09569	1.0
115.07495	1.0
119.03322	1.2
123.04420	0.6
123.08015	0.5
125.09621	2.7
139.11151	0.6
141.09079	1.2
143.03410	0.6
145.04970	0.8
151.11165	0.6
153.09048	0.7
153.12755	1.0
161.04535	2.1
163.11261	2.1
165.09093	1.3
165.12762	3.0
167.14270	1.4
167.71770	0.5
169.12234	1.1
171.10197	1.0
177.12784	0.6
179.05537	0.8
181.12273	4.3
183.13733	1.3
193.12267	1.3
193.15956	0.6
195.13780	2.1
197.11760	17.2
198.12180	0.5
199.13293	1.1
203.48782	0.5
207.10187	0.9
209.11766	1.0
211.13313	3.3
213.14946	0.5
214.15533	0.5
217.15965	0.6
221.11838	1.1
221.15433	1.4
235.08206	5.3
239.12776	2.3
240.13451	0.5
241.14314	0.6
247.20653	3.1
252.19116	0.5
253.09270	14.6
254.09583	0.7
255.23264	0.6
263.20200	1.7
265.18231	0.6
273.18594	3.2
277.21777	0.7
281.21262	0.6
291.19666	46.3
292.19946	4.0
293.21088	1.3
305.21362	0.9
307.19208	1.2
308.19891	2.5
309.20706	91.3
310.21024	6.2
311.22183	0.6
323.22260	100.0
324.22589	8.7
527.28528	3.7
545.29675	10.4
546.30060	1.2
559.31177	3.1
589.67700	0.5
597.41040	0.5
615.43317	0.9
782.45435	0.5
851.50861	3.6
852.51831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.4
61.98692	1.5
69.03320	1.5
70.66483	1.6
71.01252	6.5
72.99190	0.6
73.02821	1.1
73.47396	0.5
83.01275	1.2
83.04890	0.6
85.02831	2.3
87.00780	0.7
89.02312	4.1
90.02140	0.5
95.00704	0.6
95.01279	0.8
97.02813	0.7
97.06447	1.5
101.02325	6.3
109.06489	0.7
111.00748	1.4
111.08041	1.9
113.02360	3.0
113.09606	1.8
115.07555	1.0
119.03336	0.7
119.41312	0.5
123.08081	0.9
125.09570	1.6
133.05008	0.5
139.11156	0.7
141.09177	0.5
143.03322	0.7
149.09644	0.7
151.07520	0.5
151.11217	0.9
153.12816	0.9
161.04485	2.0
163.11234	0.9
165.12764	5.5
167.10719	0.7
167.14349	3.1
169.12270	0.8
171.10168	1.1
179.05505	1.4
179.14258	0.7
181.12271	4.5
183.13828	1.3
191.14388	0.9
193.12326	2.6
193.15875	0.6
195.13745	2.4
197.11844	3.1
209.11772	1.1
211.13321	3.6
213.14932	1.0
217.15990	0.9
221.11928	0.6
221.15469	3.2
229.14455	0.6
235.08127	3.7
240.13547	0.8
241.14301	0.8
245.19153	0.8
247.20717	5.5
248.20895	0.5
249.18620	0.7
253.09250	11.6
254.09476	0.6
255.23322	0.7
263.20099	1.6
265.21725	0.9
273.18661	4.1
274.18927	0.8
277.21796	0.9
281.21274	1.7
291.19669	67.0
292.19974	6.0
293.21213	1.9
295.22693	0.6
305.17755	0.6
307.19299	1.2
308.19897	1.0
309.20709	100.0
310.21094	8.9
311.22232	1.0
323.22272	63.3
324.22635	6.5
404.37634	0.7
519.15558	0.5
527.28729	4.1
528.28693	0.7
545.29626	19.9
546.29980	3.5
559.31451	2.7
568.62579	0.6
828.73621	0.6
851.51514	6.3
852.51636	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	851.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
60.73439	0.4
61.98676	0.5
69.03319	1.5
70.58263	0.4
71.01254	6.3
71.04913	1.1
72.99194	0.6
73.02810	0.9
75.17506	0.4
80.02536	0.8
83.01250	0.9
83.04929	0.9
85.02831	2.0
87.00755	1.9
89.02317	3.9
92.40708	0.4
94.65703	0.4
95.01254	0.7
95.04898	0.8
97.02818	2.6
97.06468	1.5
98.03668	0.5
99.00739	0.5
101.02321	6.1
107.04912	0.5
109.06485	0.7
111.00768	2.5
111.08044	1.7
113.02335	3.3
117.80219	0.4
119.03353	1.2
123.04391	0.7
123.08022	0.8
125.05975	1.4
125.09624	1.8
127.07536	0.4
137.09616	1.1
143.07028	1.4
151.11206	1.5
151.87257	0.4
161.04492	2.6
163.11221	2.8
165.09163	0.7
165.12781	7.5
167.10678	0.4
169.12267	4.6
171.10214	2.6
177.12790	1.1
179.14326	1.4
181.12274	2.5
183.13681	0.6
185.11798	0.7
191.14388	0.9
193.12267	1.9
193.15938	1.2
195.13847	2.8
197.11751	6.1
199.13463	0.5
207.10196	0.7
209.11803	2.6
211.13373	1.5
217.15880	0.9
221.11778	0.8
221.15486	1.4
223.13281	2.3
225.11389	0.5
225.14897	0.5
227.12785	1.0
235.08173	3.2
239.12825	0.9
247.20644	5.9
248.20990	0.5
253.09264	17.8
263.20071	0.9
273.18649	3.6
275.20245	0.6
277.21869	0.5
289.18164	0.9
291.19672	100.0
292.19977	8.9
293.21158	2.5
307.19019	1.3
308.20020	2.2
309.20718	86.8
310.21036	8.5
323.22287	84.8
324.22607	7.8
341.23273	1.9
430.53143	0.5
527.28314	2.1
545.29456	1.5
559.31140	3.5
597.41718	1.0
615.42804	1.8
725.41321	4.0
726.41846	0.8
851.47998	3.5
852.47858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.9
61.98697	8.4
67.01758	0.5
69.03331	2.4
71.01256	10.2
71.04884	2.2
72.99178	1.2
73.02810	2.2
75.00735	0.6
80.02538	1.0
81.03318	1.9
83.01275	2.9
83.04892	4.9
84.02045	1.2
85.02827	3.2
87.00742	1.9
89.02325	6.2
93.03333	1.3
95.01257	1.2
95.04891	3.8
96.95888	1.6
97.02847	2.9
97.06484	4.3
98.19816	2.0
99.00777	0.6
99.04399	2.4
99.08040	1.1
101.02316	7.4
106.04162	1.0
107.04907	1.7
108.02052	1.0
109.06484	2.5
110.03619	0.9
111.04392	0.9
111.08057	1.5
111.13913	0.5
112.05193	1.2
113.02328	4.4
113.06024	0.7
115.07494	1.4
119.03397	1.4
121.02844	0.8
121.06510	1.1
123.00703	0.6
123.04408	2.0
123.08060	2.5
125.02299	0.8
125.06013	1.5
125.09596	10.6
127.07529	3.3
127.11170	0.6
133.06570	0.7
133.76137	0.6
135.04402	0.7
135.08054	3.7
137.02362	0.8
137.09612	2.6
139.07553	1.0
141.12759	0.7
143.03374	0.8
149.05972	1.0
149.09592	1.2
151.07538	1.0
151.11200	1.6
153.09122	18.8
154.09534	0.7
155.10701	1.4
161.04489	2.6
161.09644	0.8
163.07553	0.9
163.11198	8.9
165.12749	4.4
167.10770	0.7
169.12308	1.0
171.10184	31.0
172.10591	1.3
175.11235	0.6
177.09082	0.6
177.12790	1.1
178.09914	3.4
179.05539	1.0
179.10634	0.8
181.12291	2.3
183.13808	1.2
184.53076	0.6
185.11739	10.6
187.09734	1.2
189.12732	0.6
189.39250	0.5
191.10718	3.2
191.14314	4.8
193.12323	1.5
195.13895	0.8
197.11766	12.4
198.12030	0.8
207.10211	4.2
209.11771	68.1
210.12086	4.9
211.13356	4.2
217.12146	0.6
217.15898	1.4
219.13809	1.0
221.11847	0.7
223.13293	0.6
225.11310	2.8
227.12891	2.6
229.53439	0.7
235.08092	3.8
235.13260	0.7
236.10596	0.9
237.11371	2.9
237.14903	1.1
238.12120	1.3
243.17445	0.9
245.19087	9.7
246.19368	1.0
247.13226	0.9
249.15009	0.9
252.13580	0.7
253.09261	16.7
253.18016	0.7
261.18698	0.6
263.20163	3.1
265.14328	0.7
265.18195	0.6
271.17053	1.7
279.16037	0.5
279.19608	2.9
281.21341	0.8
287.16559	2.7
289.18100	47.4
290.18439	4.9
291.19662	7.3
292.19919	0.7
293.21216	2.3
297.20679	1.4
303.16046	1.3
305.17606	7.5
306.18103	0.9
307.19141	100.0
308.19489	8.5
309.20712	11.3
310.20905	1.1
321.17075	0.8
323.18552	3.6
325.20184	30.3
326.20386	2.5
327.21762	2.3
349.20007	0.6
407.19116	0.6
445.20746	0.6
474.21194	1.2
499.30389	0.7
517.31763	1.0
525.27051	2.2
533.70367	0.6
541.26666	1.6
543.28125	18.1
544.28308	2.9
545.29810	0.8
561.29352	4.1
615.38196	1.1
633.40009	0.6
695.32983	1.4
717.38666	0.9
735.39575	5.5
736.39832	1.4
753.40442	2.1
764.39581	1.3
815.45850	1.6
833.46716	5.4
834.47211	1.7
851.48035	5.0
852.48810	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	851.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.3
61.98702	5.2
67.01818	1.4
69.03334	3.3
71.01252	13.6
71.51787	1.9
72.99200	2.5
73.02824	3.2
83.01273	1.6
83.04891	2.6
84.95441	1.3
85.02839	5.5
87.00772	3.0
88.98695	3.3
89.02295	9.2
94.51845	1.5
95.01265	1.6
97.02825	13.5
97.06487	8.8
101.02325	10.8
101.02979	1.5
104.60307	1.6
109.06496	2.7
111.00758	7.8
111.04406	1.8
111.08043	3.3
113.02335	4.1
118.34651	1.3
123.08091	1.5
125.05992	10.0
125.09595	2.6
137.09618	3.2
143.07036	30.4
151.11201	16.5
161.04495	4.1
163.11201	2.6
165.09164	1.7
165.12761	4.2
167.10760	1.8
169.12257	87.1
170.12657	3.9
171.10136	7.4
177.12733	1.3
179.05513	2.0
179.14256	1.7
181.12300	1.8
195.10115	2.0
195.13805	6.6
197.11742	10.7
207.10060	1.5
209.11676	1.9
211.13408	3.2
212.43504	1.3
213.11299	12.3
221.11917	1.5
221.15466	2.9
221.26700	1.3
223.13319	4.1
225.11238	3.0
227.12732	2.0
235.08174	3.6
239.12724	1.8
243.12575	1.7
247.20711	3.6
253.09291	29.4
273.18576	3.6
275.19934	1.3
291.19672	76.5
292.20087	7.0
293.21179	16.4
307.19012	1.8
309.20709	100.0
310.21051	9.0
323.22260	93.5
324.22528	8.9
341.22952	2.4
405.68301	1.4
461.20047	1.6
486.55099	1.4
527.28571	2.1
615.42889	2.5
725.41254	70.8
726.41547	15.7
851.47833	44.4
852.48145	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	851.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.5
61.98703	67.0
69.03336	2.1
69.82191	4.1
71.01250	12.0
71.04888	2.9
72.99178	1.1
73.02826	2.3
78.65533	0.8
79.95613	1.1
80.02533	1.5
81.03340	3.3
81.54652	0.7
83.01263	1.7
83.04878	3.9
84.02013	1.1
85.02840	3.6
85.06458	0.9
87.00762	2.3
89.02310	5.0
95.01263	1.4
95.04911	3.0
96.95891	6.3
97.02827	3.2
97.06476	3.6
99.00742	0.9
99.04398	1.3
101.02320	10.0
106.04130	0.9
107.04882	1.2
108.02074	0.9
109.06477	8.9
111.04398	0.9
111.08028	1.8
112.05178	1.0
113.02337	4.4
115.07560	1.6
119.03388	1.8
121.02853	1.1
121.06511	1.2
123.04404	2.4
123.08051	2.4
125.09605	7.3
127.07520	2.8
127.11180	1.4
135.08067	3.4
137.05948	1.0
137.09662	3.9
141.09117	0.9
141.12790	1.0
143.06985	1.0
145.04997	1.6
145.06516	1.2
151.11200	1.5
153.09103	14.2
154.09552	1.0
155.10736	1.5
161.04491	3.8
161.09636	0.9
163.11195	8.1
165.09097	1.4
165.12770	2.5
167.10649	1.1
169.12291	1.0
171.10173	31.3
171.11665	1.7
172.10541	1.7
175.11267	0.8
177.12758	1.4
178.09869	2.7
179.05609	1.5
179.10724	1.0
181.12276	2.6
182.82515	0.7
185.11752	12.2
191.10716	1.7
191.14351	8.6
193.12067	1.1
197.11749	14.1
199.13544	1.0
201.11201	1.1
203.14378	0.8
205.11874	0.9
207.10176	5.5
207.13800	1.0
209.11774	39.0
210.12088	2.8
211.13338	7.4
221.11952	1.1
223.13179	0.9
224.52853	0.8
225.11174	4.6
227.12773	1.4
229.14355	1.0
235.08159	6.1
235.13402	2.8
237.14809	1.1
238.11943	1.6
245.19051	17.1
246.19447	1.6
251.16530	1.0
253.09229	18.1
254.09874	0.9
261.18661	1.0
263.20245	0.9
265.18005	1.2
271.17035	3.0
279.19769	0.9
280.26083	0.9
287.16577	4.1
289.18088	100.0
290.18427	9.6
291.19678	5.9
297.20590	1.6
301.17981	0.9
305.17609	4.9
307.19125	84.7
308.19397	6.3
309.20685	6.3
310.21323	1.3
325.20193	34.2
326.20496	3.7
327.21725	2.2
335.22308	1.0
366.97717	0.9
407.19464	1.6
425.26773	1.3
471.03906	1.1
525.27252	4.9
543.27997	10.1
544.28296	1.8
561.29059	2.8
597.37903	1.8
629.31372	1.0
709.38037	2.0
764.39502	2.7
815.46082	5.5
816.45557	1.4
833.47009	11.2
834.47589	2.5
851.47510	2.9
866.54236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
59.55746	0.1
61.98701	100.0
62.98402	0.2
64.08511	0.1
68.17529	0.1
69.47119	0.7
71.01233	0.5
71.04904	0.1
72.99171	0.1
80.02584	0.1
80.96395	0.1
81.03339	0.1
83.04898	0.2
85.02843	0.1
87.00780	0.2
88.98678	0.1
89.02328	0.2
95.04916	0.2
96.95373	0.1
96.95875	0.4
97.06523	0.1
98.19810	0.2
101.02329	0.3
109.06492	0.5
111.04387	0.1
111.08078	0.1
113.02332	0.2
123.08053	0.2
125.00036	0.1
125.09632	0.2
135.06641	0.1
135.08038	0.2
151.11220	0.1
153.09117	0.5
159.55055	0.1
163.11211	0.2
165.12807	0.1
167.10672	0.1
171.10205	1.1
179.10773	0.2
181.12325	0.1
185.11794	0.3
191.14334	0.1
195.13885	0.1
197.11754	0.5
209.11777	1.8
211.13351	0.2
223.13240	0.1
235.08247	0.2
237.15047	0.2
245.19101	0.3
253.09285	0.7
263.20123	0.1
271.16983	0.1
287.16595	0.2
289.18091	4.9
291.19727	0.3
303.15878	0.1
305.17719	0.4
307.19125	2.7
307.22601	0.1
309.20840	0.5
325.20169	1.3
405.62851	0.1
421.95074	0.1
525.27454	0.2
543.28278	0.6
764.92517	0.1
775.42548	0.1
815.46222	0.3
833.46960	0.5
851.47089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.1
63.96114	2.2
69.03337	0.8
69.86724	1.8
71.01247	10.9
72.01582	0.4
72.99162	0.7
73.02827	2.3
78.98458	8.3
79.95606	19.6
80.96387	98.5
81.03313	1.0
82.95966	1.4
85.02813	3.3
87.00748	3.3
94.97958	23.5
95.01247	1.0
96.95882	1.8
97.02827	2.0
99.00761	1.0
101.02325	3.3
106.97958	4.2
113.02323	0.6
122.97473	5.5
125.02343	4.2
127.03925	1.1
134.97485	7.0
136.99037	3.2
148.99036	9.1
149.08093	0.5
152.98540	9.6
164.98535	20.6
167.00064	1.2
179.00140	0.6
206.99640	5.2
223.72510	0.6
225.00700	34.8
226.00946	0.7
255.23306	2.6
283.04956	1.5
355.07086	0.7
537.26935	2.2
591.25092	2.6
695.97296	0.6
847.48712	100.0
848.49152	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
71.01244	1.6
75.69366	0.8
77.39287	1.0
78.95773	80.1
78.98458	1.3
79.91171	0.8
79.95613	3.1
80.96385	11.9
83.99448	1.0
94.97948	2.6
96.96844	16.8
98.20603	1.3
113.09605	1.3
122.97475	1.6
141.01559	1.2
152.98364	1.3
152.99490	17.0
164.98528	1.2
171.10141	1.6
195.13826	12.2
217.00337	1.0
223.00092	6.3
225.00700	2.7
241.01138	29.1
242.01341	1.4
255.23250	48.3
256.23642	6.2
259.02203	1.7
277.21701	12.7
278.22137	1.5
279.22971	1.4
293.21304	1.5
294.21521	1.3
295.22791	29.8
296.23145	2.9
297.03806	1.1
391.22552	3.4
431.21994	1.5
553.27917	2.2
571.28333	1.0
766.87488	0.9
849.51117	100.0
850.51599	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	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.5
59.18749	0.3
61.98707	0.5
63.96112	2.3
69.03328	0.8
69.86691	0.8
69.87088	0.6
71.01253	8.2
72.99197	0.4
73.02814	1.5
73.66349	0.3
74.68913	0.3
78.98463	7.1
78.98888	0.6
79.95609	15.4
80.96391	79.5
81.03356	0.8
81.96350	0.4
82.95980	0.8
83.01236	0.3
83.09850	0.3
85.02818	2.9
87.00751	3.5
94.97961	18.8
96.95896	1.7
97.02842	2.2
97.67548	0.3
99.00753	0.9
99.04443	0.4
101.02339	2.7
106.97978	3.3
113.02332	0.7
122.97467	4.0
125.02340	3.9
127.03899	0.9
134.97481	6.3
136.99042	1.8
146.97449	0.7
148.97931	0.2
148.99039	7.2
152.98540	7.4
158.73302	0.3
161.04422	0.5
164.98543	15.8
165.98962	0.4
167.00137	0.4
188.98599	0.6
206.99637	3.8
225.00710	25.4
226.01091	0.8
241.00229	0.5
255.23296	1.9
283.04794	0.8
333.81244	0.4
341.05246	0.4
537.27228	1.6
591.24988	2.2
847.48755	100.0
848.49091	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	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
63.96114	1.8
64.96899	0.4
65.20897	0.3
69.03335	0.7
71.01249	8.6
73.02819	1.9
78.95760	0.5
78.98464	7.1
79.95608	19.2
80.96389	81.4
81.03326	0.6
82.95964	1.2
85.02821	3.1
87.00742	2.7
87.04317	0.3
94.97962	18.8
95.01276	0.9
96.95885	1.4
97.02818	2.2
98.19789	0.8
99.00758	1.0
99.04409	0.5
101.02325	2.8
106.97985	3.3
113.02369	0.6
122.97476	4.5
125.02333	3.3
127.03918	0.9
134.26447	0.3
134.97476	5.9
136.99008	1.7
148.99055	7.0
152.98544	6.3
160.65996	0.3
161.04477	0.3
164.98543	14.9
166.98015	0.3
167.00018	0.7
170.67912	0.4
175.65904	0.3
182.97333	0.3
196.89432	0.5
206.99658	3.8
225.00693	23.9
226.00967	1.1
227.00073	0.4
255.23286	2.1
275.37180	0.4
280.51776	0.4
283.05005	1.0
291.19598	0.5
341.05588	0.6
537.27509	1.8
591.24811	1.6
653.57111	0.4
846.46930	0.5
847.48694	100.0
848.49097	24.9
848.65759	0.8
848.92090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.7
61.98682	1.5
63.96103	1.6
69.03333	1.0
71.01253	7.7
73.01795	0.4
73.02815	1.6
76.03990	0.5
78.98470	6.0
79.80833	0.5
79.95605	17.2
80.96390	74.4
81.03342	0.6
82.96014	0.5
85.02819	3.7
87.00736	2.5
93.97128	0.5
94.97958	17.6
96.95896	1.6
97.02837	1.8
99.00749	0.6
101.02324	2.2
106.97958	3.1
119.37605	0.5
122.97455	3.0
125.02340	3.5
127.03923	0.8
129.62187	0.5
134.97464	5.3
136.99025	1.9
148.99043	6.7
152.98526	6.4
164.98537	12.6
206.99611	2.7
225.00705	21.5
226.01053	1.0
255.23248	1.9
283.04822	0.6
395.51718	0.5
443.66187	0.6
464.84348	0.5
537.27368	1.9
591.24426	1.5
633.00684	0.6
736.50964	0.5
847.48724	100.0
848.49030	24.5
848.65509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	3.2
64.48164	2.5
71.01244	7.2
71.15084	4.2
78.98457	6.2
79.95607	14.2
80.96390	88.5
87.00724	3.1
94.97964	18.4
106.97969	3.9
122.97474	5.7
134.97440	5.8
148.99046	6.6
152.98532	7.8
158.36983	2.7
164.98538	12.6
181.06178	2.5
190.18098	2.2
225.00677	20.3
402.92401	2.7
589.24268	3.1
708.57513	3.3
845.47308	100.0
846.47742	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	843.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83633	3.4
67.30620	3.3
69.80465	14.1
70.00054	3.5
80.96896	3.9
102.70222	3.4
134.07048	3.6
138.57710	3.4
208.47292	3.9
258.01599	22.3
259.02368	27.2
271.02475	19.0
272.03235	29.5
273.03806	11.4
285.04135	7.0
301.03528	67.9
302.03888	3.9
331.04544	43.1
403.06708	5.0
421.07684	100.0
422.08090	9.6
637.48407	3.8
723.10974	4.9
843.15253	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	843.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.5
61.98705	5.6
69.17391	7.0
69.17808	1.5
71.01247	6.4
72.99178	1.7
73.02803	1.9
80.46056	0.8
83.01225	1.8
85.02811	4.9
85.21479	0.7
95.01246	1.6
95.43324	0.9
99.00787	2.0
101.02322	3.3
106.07411	0.9
108.02053	60.7
109.02877	9.8
113.02311	2.5
116.92766	1.2
118.16668	0.8
123.00745	1.6
125.02309	1.0
133.02800	0.9
134.31412	1.0
135.04417	1.1
151.03841	1.8
152.01057	100.0
153.01843	5.9
154.14404	0.9
163.03915	4.2
165.01790	1.3
165.05508	1.0
177.01889	1.3
179.03439	1.3
192.06392	0.9
195.06516	1.3
222.84169	0.8
235.16954	1.6
271.02475	1.0
273.03561	1.0
315.07248	2.4
373.82339	0.8
429.10379	9.6
430.10254	1.1
447.11441	1.9
551.17932	1.0
665.28174	2.7
843.16968	2.6
843.32758	62.8
844.33167	18.0
844.86206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.6
61.98709	8.8
69.03339	0.8
71.01256	14.6
71.51984	0.8
72.99185	1.4
73.02831	1.8
75.00746	2.3
78.95804	0.7
83.01266	1.9
83.04896	0.9
83.71107	0.7
85.02839	2.4
87.00772	3.4
89.02322	10.1
95.01242	0.8
95.04903	1.4
97.02865	1.2
97.06469	14.5
101.02329	8.5
113.02343	4.0
119.03389	2.4
123.08046	6.6
125.02360	2.5
125.09615	93.7
125.45500	0.6
126.09960	3.9
132.73656	0.6
143.03375	1.1
143.10742	1.3
161.04494	1.3
169.08699	3.0
171.10194	1.7
179.05501	1.6
185.11827	0.6
187.09689	67.7
188.10060	3.5
201.11278	0.9
209.11786	1.2
211.09679	1.1
211.13379	1.6
221.06520	3.8
225.11266	1.1
235.08179	1.0
253.09341	1.6
261.13272	0.8
263.07599	1.0
277.21725	12.0
278.22180	0.9
291.19690	0.9
293.21191	1.3
295.22766	1.3
296.23178	1.0
297.23444	0.8
397.13464	2.3
415.14581	1.1
461.19891	0.6
567.23041	3.1
585.23889	8.1
603.87115	0.7
715.23712	0.8
845.45367	100.0
846.45740	28.5
846.61981	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	843.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82984	1.7
79.40917	0.3
98.20458	0.6
101.09832	0.4
107.01293	0.5
108.02048	0.4
109.02822	1.9
111.00742	0.5
123.00674	0.4
125.02322	1.0
125.93274	0.4
151.00279	3.4
161.02321	1.1
163.00317	1.0
163.77026	0.4
187.03926	0.5
190.99834	0.7
199.04054	0.4
215.03421	1.4
227.03497	1.7
229.04964	1.1
230.02229	0.6
241.04959	0.5
243.02979	1.7
255.02997	0.6
257.04608	0.9
258.01685	39.5
259.02420	19.4
260.02744	1.2
271.02481	24.1
272.03229	14.6
273.04034	19.4
274.04376	1.6
283.02475	1.5
285.04022	7.1
286.04388	0.7
298.01151	1.1
299.01865	1.2
301.03528	100.0
302.03873	9.2
304.02222	2.6
313.03543	9.5
314.03778	1.1
325.03638	0.4
329.03024	0.8
331.04584	61.4
332.04962	5.8
343.04529	2.3
361.05566	0.7
367.04599	0.6
385.05588	0.6
403.06622	1.2
421.07751	89.5
422.08096	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	841.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.0
62.71470	0.8
63.43585	0.7
63.96111	1.7
71.01258	9.6
71.50385	1.0
73.02798	1.6
78.95766	1.8
78.98460	7.8
79.95606	20.8
80.96390	100.0
82.95969	2.7
85.02804	3.6
87.00748	3.6
94.93942	0.9
94.97961	21.8
96.95869	1.3
97.02839	1.8
99.00705	1.0
101.02300	2.8
106.97958	3.6
113.21935	0.8
115.82977	0.8
116.73079	0.8
122.97466	3.8
123.02731	0.7
125.02332	2.6
127.01857	0.9
134.97464	7.0
136.99005	1.6
148.99036	4.7
152.98532	4.2
164.98570	8.9
206.99565	1.2
225.00699	10.9
229.01379	1.0
231.97755	0.8
242.02119	1.5
243.03024	4.5
258.01578	0.9
259.02292	1.9
271.02475	6.7
272.03235	4.3
273.03943	1.3
283.04932	1.0
299.01920	3.2
301.03470	7.1
302.03769	1.0
329.02924	3.7
331.04572	2.3
419.06326	0.8
559.25934	1.3
721.10657	2.0
722.10443	1.3
751.12445	1.0
841.15326	12.0
841.51276	74.5
842.15735	4.6
842.51648	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	841.532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.7
61.98702	1.1
63.56937	0.3
69.03322	1.2
70.28482	1.0
71.01244	1.5
71.04899	1.2
73.02818	0.4
77.99569	0.3
78.95785	0.3
80.96394	0.9
81.03342	0.5
83.04904	1.4
84.02061	0.3
85.02811	0.6
85.06474	0.9
87.00730	0.4
87.04375	0.4
87.57835	0.3
89.02330	0.7
95.04895	0.4
97.02826	3.7
97.06474	1.2
98.03597	0.4
101.02312	1.0
104.59098	0.3
109.06477	1.3
111.04398	0.8
111.08044	3.2
113.02332	0.6
113.09615	0.6
119.08549	0.5
123.07995	0.5
125.09610	0.9
127.07548	0.3
128.03435	0.4
137.09604	1.3
140.80775	0.3
151.11159	0.3
153.12704	0.4
161.04384	0.5
163.11220	1.3
165.12798	2.7
169.12248	1.1
171.10173	4.1
177.12659	0.5
179.10640	0.5
179.14343	1.3
181.12245	1.0
183.13776	1.0
185.11787	0.4
193.12236	1.2
195.13841	7.0
197.09958	0.5
197.11758	8.2
198.64574	0.3
199.13297	0.4
205.12222	0.7
209.11734	1.7
211.13318	3.0
217.15947	0.3
221.15462	3.5
222.15677	0.5
223.13400	3.1
225.11232	0.4
227.12863	1.1
229.19522	0.5
233.15506	0.4
235.17053	0.3
239.16469	0.8
243.02992	0.7
247.20613	2.8
251.16310	0.4
253.09262	9.3
254.09645	0.4
263.20029	0.4
271.02499	1.1
272.03162	0.8
273.18500	1.3
277.18683	0.4
277.21741	2.6
289.17776	0.3
291.19662	27.6
292.20038	2.5
295.22784	25.4
296.23044	1.8
299.02029	0.4
301.03604	1.3
309.20706	100.0
310.21057	8.1
311.21661	0.3
329.03143	0.7
331.04688	0.7
368.42737	0.3
487.85989	0.3
512.50513	0.3
531.31641	0.4
721.10938	0.5
841.14771	1.8
841.50842	1.1
842.15289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27597	0.8
68.83998	0.8
70.47879	2.6
74.99184	0.8
75.06615	0.9
76.12113	0.8
109.02808	1.4
135.03278	0.8
138.98105	0.9
140.13799	0.9
214.02650	2.4
215.03340	3.0
217.04881	1.4
227.03238	1.5
229.01334	3.5
230.01981	2.5
231.02969	1.2
241.01297	2.9
242.02136	12.0
243.02954	31.6
244.03551	3.6
245.04547	2.4
255.02884	2.7
257.00827	1.8
258.01675	10.2
259.02463	16.7
269.00824	2.3
270.01645	2.9
271.02475	47.5
272.03192	26.3
273.03912	7.6
273.48013	0.9
283.02502	3.0
285.00949	1.0
285.04053	4.7
287.01965	1.6
298.00955	1.6
299.01941	21.9
300.02545	1.3
301.03516	44.4
302.04022	4.6
311.01984	2.4
313.03598	5.4
329.02979	21.1
330.03485	2.1
331.04523	16.5
341.02936	1.7
365.03134	1.3
373.05670	2.5
377.03159	1.1
378.03629	2.3
379.04416	1.5
401.05072	1.7
407.03891	2.7
419.06171	5.2
437.05072	2.6
479.05807	1.0
601.05725	2.1
631.07281	2.1
661.07819	1.9
703.08325	1.4
721.10480	21.0
722.10565	3.1
751.11353	5.5
752.11639	1.7
805.12781	1.2
823.13721	6.6
824.13580	1.8
841.14655	100.0
842.15033	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42808	1.0
71.06818	1.8
114.96539	1.0
120.33466	1.1
214.02744	1.1
215.03421	1.9
229.01413	1.6
230.02214	1.4
242.02171	5.8
243.02910	11.6
244.03523	2.0
255.03093	1.8
257.00940	2.0
258.01718	4.9
259.02414	9.9
269.00836	1.6
270.01605	2.2
271.02484	30.8
272.03125	11.1
273.03955	4.5
283.02469	2.1
285.03986	2.8
299.01944	18.3
300.02301	1.6
301.03534	36.4
302.03836	2.5
311.02008	1.2
313.03552	3.3
329.03024	23.1
330.03403	2.1
331.04626	14.0
332.04922	1.5
341.02615	1.2
343.04495	1.6
373.05652	2.6
378.04141	1.6
379.04120	1.6
401.05173	1.2
407.04242	2.9
419.06171	5.8
437.05231	6.2
544.06079	1.7
601.05994	1.8
631.07306	3.4
661.08356	1.6
721.10565	23.7
722.10852	5.4
736.22803	1.1
751.11511	6.5
823.13409	5.1
824.13306	1.7
841.14667	100.0
842.14972	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14094	0.5
65.00191	0.6
70.79514	0.9
70.79877	1.3
72.21827	0.6
75.76015	0.5
79.01794	0.6
108.48678	0.5
109.02829	0.7
112.21941	0.5
125.02330	0.9
137.02322	1.1
149.02361	0.8
151.00272	1.1
163.00310	1.1
165.01849	1.2
171.04446	0.7
199.03876	1.1
214.02652	2.1
215.03392	2.6
223.02298	0.8
227.03287	1.3
229.01384	5.1
229.04988	0.9
230.02139	2.9
231.02809	1.0
241.01367	4.1
242.02164	12.8
243.02936	34.5
244.03479	4.4
245.04611	2.6
255.03006	4.2
256.03470	0.6
257.00998	3.0
257.04483	2.1
258.01691	9.2
259.02454	18.6
260.02771	1.2
267.03009	0.8
269.00937	2.4
270.01727	4.8
271.02481	49.2
272.03207	22.5
273.03973	8.7
274.04498	0.7
282.01572	0.6
283.02502	4.3
284.03088	0.9
285.04068	5.4
287.01907	1.0
297.03903	1.0
298.01218	3.0
299.01965	25.9
300.02344	3.0
301.03525	59.2
302.03897	4.7
304.02274	0.8
311.01883	2.5
313.03549	6.3
313.06998	0.9
314.03751	1.0
315.04953	0.9
321.04160	1.1
325.03506	1.4
329.03009	31.2
330.03360	3.1
331.04572	22.0
332.04926	2.3
339.05722	0.6
341.02893	2.1
343.04486	2.2
355.04422	1.4
359.04330	0.7
364.02252	2.1
365.02927	2.6
371.04025	1.0
373.05521	2.7
377.03033	2.4
378.03870	4.8
379.04456	1.7
383.04187	0.9
385.05673	0.9
391.06705	1.5
401.05258	1.1
403.06647	1.0
407.04059	5.3
419.06311	3.6
437.05069	6.1
438.05652	0.9
500.07312	0.9
544.06696	1.0
601.06122	2.4
613.06451	1.0
631.07288	4.3
643.07275	0.7
661.08118	1.8
703.09357	0.8
721.10370	23.6
722.11139	6.5
733.09344	0.8
751.11469	7.6
752.11713	1.9
823.13641	6.6
824.14282	1.5
841.14661	100.0
842.14935	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	841.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00037	2.1
71.50922	0.8
74.58340	0.8
164.35670	0.8
199.03937	1.1
214.02654	1.7
215.03355	1.3
217.04948	0.9
227.03354	1.8
229.01344	1.7
230.02151	2.2
241.01436	1.3
242.02202	7.0
243.02930	24.4
244.03526	3.9
245.04353	1.4
255.03004	1.9
257.00861	2.6
258.01675	7.2
259.02420	13.8
269.00858	1.5
270.01666	4.7
271.02466	45.8
272.03232	31.2
273.03876	5.2
283.02594	3.1
284.02826	1.3
285.04001	5.3
287.02051	1.5
294.31210	0.9
298.01111	2.1
299.01950	25.6
300.02435	2.8
301.03519	45.7
302.03915	5.6
304.02307	2.2
311.01880	2.3
312.02908	1.0
313.03473	5.0
329.02966	23.9
330.03415	2.4
331.04608	15.5
332.04935	1.5
341.03229	1.2
343.04718	1.2
355.04739	1.2
355.74225	0.9
359.04050	1.6
373.05667	1.9
384.59494	1.1
391.06693	2.1
401.05194	2.0
403.06610	1.1
419.06219	13.6
420.06659	1.7
559.05725	1.0
595.91559	0.9
601.06097	2.2
620.25995	1.0
631.07324	2.9
661.07330	1.8
721.10339	24.4
721.22266	1.8
722.11218	4.3
733.11346	1.5
751.11505	8.3
752.11859	1.4
823.13550	6.1
841.14667	100.0
842.14917	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	839.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.0
61.98699	14.4
63.87369	0.8
68.19709	1.0
68.64281	0.7
69.03322	2.3
69.52292	3.2
69.52702	1.9
71.01243	2.6
77.21016	0.8
78.95758	1.0
79.95583	0.8
80.96378	3.6
83.04895	1.3
87.00724	1.0
96.95875	4.9
96.96795	0.9
97.02839	9.8
99.00751	1.0
101.02337	1.0
103.34887	0.8
106.95908	0.8
113.09602	0.9
125.09590	3.0
137.09615	1.9
162.44028	0.8
163.11198	2.0
165.12790	4.6
171.10207	7.6
181.12256	1.4
183.13724	1.4
185.11769	2.4
189.12904	1.0
193.12248	2.5
195.13876	1.1
197.11642	1.2
209.11761	2.7
211.13376	8.9
223.13318	1.2
225.11235	1.2
227.12791	2.9
246.41672	0.9
247.20673	4.1
253.09296	5.8
273.18628	1.5
291.19653	49.0
292.20026	11.2
293.21204	40.8
294.21591	2.9
309.20697	100.0
310.21060	18.0
311.21863	5.6
312.23065	0.9
344.66891	1.0
348.68738	0.9
509.92535	0.9
529.29834	1.2
535.72247	1.0
572.60809	1.0
716.63629	0.9
719.31769	1.1
839.38971	4.6
840.45758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.7
61.98693	1.6
69.03320	1.2
70.01235	1.1
71.01249	7.2
71.04895	0.4
72.99172	0.7
73.02816	1.8
78.95782	0.6
81.03332	0.5
83.01261	0.8
83.04912	0.9
84.02050	0.7
85.02835	2.4
87.00734	2.3
89.02316	4.5
91.03896	0.4
94.49197	0.3
95.01277	0.8
95.04894	0.8
96.95874	0.5
97.02810	1.9
97.06438	1.8
98.27069	0.3
99.00748	0.6
99.02557	0.4
99.08030	1.0
101.02325	6.4
102.02696	0.4
108.55219	0.3
109.06463	0.8
111.08067	3.1
113.02336	3.1
113.09609	2.5
115.07554	0.5
119.03406	1.5
121.10136	0.7
123.08079	0.6
125.02284	0.5
125.09596	0.7
127.07569	0.7
127.11177	0.7
129.09111	1.6
132.06897	0.4
132.98322	0.4
137.09613	0.6
139.11168	1.1
141.09113	1.0
143.03398	0.5
145.04982	1.3
151.11172	0.9
153.09062	0.4
153.12729	0.8
155.10681	0.6
161.04439	3.1
163.11179	1.0
165.12782	3.0
167.10672	1.0
167.14377	2.6
169.12256	1.6
171.10165	7.2
177.12743	0.4
179.05502	0.9
179.10716	0.5
181.12296	3.3
183.13789	2.5
184.92729	0.4
185.11703	1.4
193.12260	3.0
193.15952	0.6
195.13843	5.6
196.14180	0.5
197.11761	17.0
198.12082	1.2
199.13356	2.6
201.11333	0.8
209.11792	1.9
211.13342	13.0
212.13663	0.8
213.14917	0.7
221.15459	2.2
223.13297	1.1
227.12839	1.0
229.14456	2.4
231.17384	0.4
235.08197	7.3
237.14912	0.5
247.20630	1.9
253.09254	23.3
254.09628	1.4
260.37061	0.4
263.20148	1.3
265.18054	0.4
265.21600	1.3
267.67236	0.4
273.18588	1.6
275.20181	0.8
277.21722	16.2
278.22031	1.6
281.21179	0.9
283.23019	0.4
289.17972	0.7
291.19662	26.0
292.19992	3.8
293.21219	18.1
294.21512	2.2
295.22409	0.7
307.19125	1.1
308.19501	0.4
309.20706	70.9
310.21039	8.5
311.22260	100.0
312.22595	8.8
325.20151	2.3
327.21805	4.8
343.21228	11.3
344.21628	0.6
400.68466	0.4
527.28632	3.1
528.29156	0.6
529.30634	0.8
545.29657	8.1
546.30322	2.1
547.31049	5.1
548.31946	0.8
563.31165	0.4
603.42657	1.3
664.91840	0.4
770.43707	0.6
821.49866	0.5
839.51154	8.2
840.51312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.7
69.03340	1.5
70.11845	0.3
70.12178	1.4
71.01251	6.1
71.04883	0.5
72.99180	0.3
73.02831	1.7
74.19221	0.3
83.01223	0.9
83.04866	0.6
84.02030	0.4
85.02825	8.1
87.00750	1.3
89.02320	4.4
95.01270	0.7
95.04889	0.6
97.02805	1.6
97.06462	2.8
99.00730	0.4
101.02323	5.7
109.06456	0.3
111.08025	0.6
113.02312	3.5
113.09583	0.5
119.03385	1.5
123.08030	0.6
125.02251	0.3
125.09589	1.2
127.11167	1.4
127.12065	0.3
131.03246	0.3
137.09630	1.6
143.03384	0.7
145.04926	0.8
153.09099	0.3
155.10666	1.1
161.04471	3.3
165.12785	0.9
167.10698	0.5
167.14320	0.7
171.10178	21.6
172.10487	1.0
175.11180	0.5
177.12776	0.9
179.05530	0.9
179.14276	0.8
181.12299	0.3
182.70483	0.3
183.13846	3.4
185.11771	1.1
193.12230	0.9
195.13835	7.1
196.14471	0.9
197.11719	0.7
201.11211	1.0
203.10638	0.5
205.12292	0.6
205.15994	0.4
209.11772	1.8
211.13330	16.0
212.13680	1.0
221.11795	2.9
222.12163	0.4
223.13332	5.8
224.13745	0.3
227.12846	0.5
228.13632	0.6
229.14401	11.0
230.14758	0.6
235.08185	5.8
236.08502	0.4
239.12827	1.8
247.20627	0.8
249.22028	0.3
253.09264	33.8
254.04701	0.3
254.09590	2.1
256.13193	0.9
265.21707	0.8
275.20132	4.9
276.20511	0.5
291.19690	5.2
292.20029	0.4
293.21225	100.0
294.21524	9.2
303.49811	0.3
309.20715	8.1
310.21085	0.8
310.28375	0.3
326.14706	0.3
327.21765	85.0
328.22107	9.6
353.34128	0.3
481.29651	0.4
492.22443	0.6
529.30420	1.3
545.29498	1.1
563.30634	5.8
564.31421	0.8
575.79272	0.3
603.42627	4.2
604.42938	0.9
839.52173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.0
61.73282	0.4
61.98708	1.1
69.03329	0.7
69.27913	3.6
71.01256	6.2
73.02808	1.3
83.01265	0.7
83.04904	0.6
85.02827	2.2
87.00763	1.4
89.02322	3.5
95.01260	0.7
95.04960	0.5
97.02823	1.1
97.06474	1.3
99.00755	0.6
99.08017	0.5
101.02331	5.9
111.08015	0.5
113.02353	2.6
113.09605	2.2
115.07551	2.1
119.03397	0.7
125.09655	0.5
127.07567	0.7
128.08311	0.7
141.09140	0.8
143.07207	0.4
151.11218	0.5
161.04483	1.7
163.11211	0.6
165.12775	2.7
167.10661	0.7
167.14282	4.2
171.10196	1.4
176.11880	0.5
177.12718	0.5
179.05516	0.7
181.12196	3.4
183.13841	2.5
185.11584	0.5
193.12282	1.3
193.15886	0.7
195.13831	11.1
196.14178	0.8
197.11671	0.8
207.93398	0.5
209.11789	0.7
211.13326	4.5
213.14943	1.2
221.15430	2.0
229.14389	1.2
235.08188	5.1
240.13599	0.7
241.14455	1.0
242.15109	1.5
245.19022	0.7
247.20642	3.6
248.21068	0.8
249.22046	0.4
253.09259	10.1
254.09521	0.7
263.19919	0.5
265.21667	2.0
266.22104	0.6
273.18622	2.0
277.21750	1.9
281.21271	1.4
291.19666	31.4
292.20062	4.1
293.21234	12.5
294.21527	1.5
295.22885	0.6
307.19299	0.5
309.20706	80.2
310.21033	9.6
311.22269	100.0
312.22614	9.9
313.23819	0.5
327.21768	1.0
343.21271	1.0
527.28687	2.4
529.30145	1.2
545.29633	13.6
546.29791	3.0
547.31213	7.1
548.31995	1.1
603.42157	0.7
697.39691	0.6
821.51056	0.7
839.51190	12.0
840.52063	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	839.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
60.32678	0.3
61.98705	2.5
63.99115	0.3
67.01754	1.1
69.03310	0.4
69.17059	1.6
69.17493	1.4
69.66403	0.2
71.01254	0.6
80.96390	0.9
83.04890	0.7
85.02814	0.3
89.02280	0.3
93.03391	0.3
93.06982	0.8
94.97934	0.3
95.04971	0.3
96.95901	0.4
97.06467	1.4
111.08050	0.7
121.10120	6.2
122.10461	0.4
123.08029	1.0
125.08736	0.5
125.09618	6.2
126.09946	0.5
137.09610	1.0
139.11140	0.4
141.12724	0.8
147.08029	0.6
154.99835	0.5
161.04568	0.4
163.11221	0.5
164.98434	0.3
167.14345	1.0
171.10194	3.8
173.00822	0.5
175.11284	0.4
185.11758	10.8
186.12065	0.6
195.13797	1.6
197.11732	2.3
209.11763	1.0
211.13336	56.9
212.13652	2.4
223.13316	1.4
225.00853	0.4
225.11189	0.4
245.19034	0.8
246.19406	0.4
247.13391	0.4
247.20578	1.1
253.09268	5.1
254.09732	0.4
273.18597	1.0
275.20126	0.6
289.18118	2.8
290.18433	2.7
291.19656	100.0
292.20007	9.3
293.21191	10.4
294.21567	1.2
295.21881	0.3
307.19138	2.5
308.19525	2.1
309.20694	17.4
310.21149	1.7
781.22937	0.3
839.40930	1.3
840.41583	0.6
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
59.01249	3.3
61.98702	58.4
62.98426	0.5
62.99176	0.5
63.99138	0.7
65.71127	0.6
69.03323	0.7
71.01279	1.9
71.04904	1.4
71.52823	0.5
71.53198	0.5
74.42497	0.5
76.77424	0.6
79.95626	1.0
80.02577	1.1
80.96396	3.5
81.03373	1.7
82.55545	0.6
83.01285	0.5
83.04894	1.3
89.02348	0.7
94.97988	0.5
95.04917	1.2
96.95916	1.1
97.02853	2.2
97.06506	1.5
99.04527	0.5
101.02341	0.7
103.56567	0.5
106.04160	0.7
107.04910	0.8
109.06499	3.7
110.03648	0.6
111.04440	1.3
121.06534	1.5
121.10133	0.7
123.04410	4.0
123.08076	1.2
125.05997	0.7
125.09623	5.4
127.07505	0.9
135.08063	1.8
137.05978	0.7
137.09616	5.5
141.12778	1.8
149.06041	1.5
149.09705	0.8
151.11270	1.0
161.09639	0.9
162.10452	0.5
163.07541	1.1
163.11185	7.0
164.08313	0.7
164.98573	0.7
167.10757	0.7
171.10254	1.4
177.12823	1.2
179.10754	1.2
181.12283	2.0
185.11768	11.4
187.84087	0.6
191.14336	8.6
195.13820	1.3
207.10229	5.7
209.11829	1.3
211.13318	3.8
217.15984	1.4
223.13326	1.1
225.00691	1.4
225.11298	6.1
226.11769	0.7
227.18039	1.0
245.19075	18.4
246.19415	1.5
253.09227	7.4
271.17145	2.6
275.20129	1.0
287.16556	0.6
288.02658	0.6
288.67142	0.5
289.18094	100.0
290.18454	7.2
291.19644	6.8
292.19943	1.0
293.21219	18.9
294.21548	1.5
307.19141	88.9
308.19507	6.8
309.20703	1.5
310.21130	0.6
335.37595	0.6
430.68750	0.6
529.30426	0.7
668.58698	0.6
798.80505	0.6
837.39899	3.2
838.40009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.7
59.03257	0.3
61.98697	0.3
68.53172	0.3
69.03340	0.4
69.27803	1.1
69.28228	1.1
71.01255	4.8
72.06938	0.3
72.99173	0.3
73.02834	1.1
81.03285	0.2
82.17517	0.2
82.52863	0.3
83.01279	0.8
83.04893	0.8
83.72336	0.2
85.02835	1.0
87.00763	0.6
88.25835	0.3
89.02319	3.1
95.01208	0.4
97.02837	0.9
97.06474	1.0
98.20558	0.6
99.86149	0.3
101.02333	4.5
109.02787	0.3
109.06431	0.4
111.00747	0.3
111.08039	2.3
113.02326	2.3
113.05956	0.3
113.09637	1.3
115.07540	0.6
119.03385	0.7
120.05749	0.4
125.05926	0.3
125.09638	0.9
127.11198	0.5
137.09634	0.6
139.07561	0.7
139.11168	0.6
141.09151	0.6
143.03427	0.3
145.04956	0.5
151.11194	1.0
153.09097	0.6
153.12761	2.3
155.10722	0.4
161.04465	1.4
163.11232	0.7
165.12807	2.3
167.10669	1.2
167.14363	0.7
169.12267	0.5
171.10179	0.8
175.11185	0.3
177.12715	0.4
179.05542	0.5
179.10748	0.3
179.14391	1.3
181.12262	4.0
182.12625	0.3
183.13808	0.4
185.04655	0.3
185.11734	1.3
193.12291	0.9
193.15865	0.8
195.13857	1.7
197.11758	3.7
198.12215	0.6
199.13367	0.9
201.11234	1.9
207.13815	1.4
209.11780	0.9
211.13319	2.4
212.13866	0.3
213.14960	0.4
215.12834	0.8
217.15930	0.6
221.15410	1.6
223.90524	0.3
227.12769	0.8
228.13388	0.4
229.14386	0.5
235.08217	4.1
237.22093	0.3
240.13724	0.3
241.14436	0.8
245.19098	0.7
247.20615	4.5
253.09276	7.0
255.16028	0.6
255.23346	0.5
263.20135	1.0
265.21729	5.2
266.22076	0.4
273.18570	2.8
274.19031	0.3
281.21271	1.6
289.18015	1.5
291.19666	37.6
292.20004	3.3
293.21225	1.4
307.19162	2.5
308.19373	0.7
309.20706	100.0
310.21069	7.9
311.22256	3.6
377.26962	0.4
383.24533	0.4
527.28595	2.6
543.28271	0.7
545.29651	16.1
546.29877	1.7
547.31024	0.3
717.49451	0.3
768.42615	0.6
801.47882	0.4
819.49139	1.2
837.50043	11.0
838.50409	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	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.9
69.03351	0.3
69.71651	0.2
71.01258	3.8
71.28621	0.6
73.02868	0.3
76.17306	0.3
80.02581	0.4
83.01338	0.4
83.14646	0.3
85.02885	1.2
87.00808	1.1
89.02304	2.6
95.01325	0.5
97.02892	0.6
97.06462	1.4
99.00810	0.4
101.02318	2.5
111.08073	0.7
113.02357	1.9
113.09599	2.0
115.07600	0.9
116.72626	0.3
119.03453	0.6
123.00784	0.3
125.06008	0.7
126.06776	0.4
131.10965	0.3
139.11240	1.0
141.09193	1.3
143.03462	0.4
145.04996	0.6
151.11205	0.7
154.09940	0.4
160.02791	0.4
161.04428	1.9
165.12759	3.4
167.10745	0.8
167.14322	1.7
179.05579	0.5
179.14395	0.3
181.12263	3.3
183.13950	0.9
193.12347	1.1
193.15958	0.6
195.13818	3.2
209.11865	0.4
211.13304	3.8
213.14867	0.7
221.15434	3.0
222.90385	0.3
229.14459	0.8
229.19545	0.3
231.17644	0.4
235.08191	3.4
239.12886	0.4
240.13719	1.1
241.14503	0.5
245.19101	0.6
247.20663	4.1
248.21239	0.3
253.09254	6.3
253.21786	0.5
255.15948	1.0
263.20135	0.7
265.21686	1.2
273.18552	2.8
274.18774	0.5
281.21219	1.5
289.18063	0.8
290.18460	0.3
291.19669	39.7
292.20001	3.1
293.21060	0.8
307.19205	1.4
308.19696	0.5
309.20706	100.0
310.21033	9.2
311.22220	2.9
345.24295	0.5
345.34802	0.4
363.25360	0.9
527.28815	2.3
528.28870	0.4
545.29675	15.5
545.38110	0.7
546.29730	2.1
583.39441	0.6
695.40118	0.7
768.42621	1.3
769.85779	0.4
801.46851	0.4
819.48206	1.3
837.50031	4.5
838.50317	0.9
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
59.01249	4.3
69.03358	0.8
71.01253	3.2
72.99225	0.4
73.02860	0.9
81.03371	0.3
83.04926	0.6
85.02853	1.0
87.00813	0.9
89.02303	3.7
95.01270	0.3
95.04926	0.4
97.02844	1.5
97.06514	0.9
98.20595	0.5
101.02328	3.3
108.11138	0.3
109.01669	0.3
109.06520	0.4
111.00800	0.4
111.08049	3.2
113.02316	1.7
113.05974	0.4
113.09659	1.1
115.07545	0.4
119.03437	0.6
125.05983	0.5
125.09642	0.9
126.06794	0.3
127.07573	0.3
139.11273	0.4
141.09132	0.6
143.03459	0.4
151.11179	0.4
153.12759	0.8
161.04454	1.4
163.11201	1.6
165.09152	0.4
165.12755	4.5
166.09932	0.3
167.10730	0.7
167.14349	1.0
169.12238	1.4
171.10168	1.6
175.11237	0.3
177.12794	0.5
179.05562	0.6
179.14375	1.2
181.12248	2.9
183.13823	0.7
185.11855	0.3
193.12282	1.0
193.15945	0.9
195.13857	1.2
197.11754	13.4
198.12193	0.6
199.13350	0.9
207.10265	0.3
209.11794	1.1
211.13333	3.7
213.14940	0.6
219.17529	0.3
221.11807	0.6
221.15421	1.7
223.13396	0.8
225.14870	0.4
227.12865	0.9
229.14439	0.5
229.48999	0.3
235.08243	1.8
241.14511	0.6
244.06004	0.3
245.18964	0.3
247.20605	5.1
250.12134	0.3
253.09248	10.6
254.09602	0.3
263.20038	1.3
265.18204	0.3
273.18634	2.3
281.21286	0.9
289.18076	0.6
291.19650	49.6
292.19995	4.2
293.21112	0.5
309.20691	100.0
310.21036	8.3
311.22171	0.5
327.21646	0.3
420.63113	0.3
527.28851	1.3
533.65222	0.3
545.29712	9.0
545.37976	0.6
546.29895	1.1
591.80487	0.3
601.40906	0.8
634.75946	0.3
837.50311	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	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
69.03336	0.7
69.87854	1.4
71.01246	3.7
72.99162	0.3
73.02810	0.9
83.04900	0.5
85.02818	1.1
87.00738	0.8
89.02312	3.0
97.02812	1.5
97.06470	0.8
101.02319	3.5
107.04952	0.3
111.08036	3.9
113.02348	2.1
113.09595	1.2
115.07494	0.5
119.03370	0.7
123.04419	0.4
123.08040	0.4
127.11189	0.3
129.01779	0.3
137.09637	0.4
141.09131	0.8
145.04962	0.5
149.09674	0.3
151.11179	0.4
151.85875	0.3
153.12769	0.4
161.04501	1.8
163.11188	0.9
165.09093	0.4
165.12758	2.8
167.14333	0.8
169.12209	1.8
171.10141	1.5
177.12694	0.3
179.05530	0.4
179.10701	0.4
179.14241	0.4
181.12236	2.0
183.13841	0.8
185.11818	0.4
193.12262	1.3
193.15887	0.9
195.13887	1.9
197.11768	19.9
198.12137	1.0
199.13322	1.0
209.11766	0.8
211.13341	4.7
213.14793	0.4
221.15387	1.7
223.13356	0.4
227.12840	1.0
229.14412	0.4
229.19438	0.6
231.17458	0.5
235.08203	2.8
240.13719	0.5
241.14474	0.6
247.20674	3.4
253.09265	10.2
263.20203	1.6
265.18115	0.7
273.18692	2.1
281.21198	1.1
291.19666	37.3
292.20044	3.3
293.21259	0.8
309.20703	100.0
310.21045	8.2
311.22275	0.7
443.09564	0.3
527.28375	1.6
528.28625	0.5
545.29651	11.7
546.30017	1.4
601.41138	0.8
837.50238	4.6
838.50446	1.3
866.45648	0.3
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
59.01252	4.4
62.62969	0.3
69.03341	0.5
71.01252	3.7
72.99173	0.4
73.02818	1.1
79.92981	0.3
83.01254	0.7
85.02817	1.0
87.00733	0.9
89.02306	2.3
95.01241	0.4
95.04911	0.6
97.02866	0.5
97.06467	1.3
99.00762	0.4
101.02332	3.4
102.02691	0.3
106.04126	0.4
109.06496	0.4
111.00791	0.4
111.08049	4.5
113.02349	1.8
113.09605	1.2
115.07515	0.7
119.03390	0.5
125.09616	0.3
127.07547	0.6
139.11093	0.4
141.09160	0.7
143.03398	0.4
145.04987	0.4
151.11197	0.7
153.12747	0.8
161.04379	1.7
163.11212	0.4
165.12767	1.9
167.10632	0.6
167.14304	1.1
169.12263	1.9
171.10181	0.4
179.05528	0.6
181.12254	1.8
183.13879	0.8
185.11737	0.3
193.12309	1.0
193.15877	0.6
195.13814	1.5
197.11771	23.4
198.12122	1.4
199.13326	1.7
209.11739	0.7
211.13351	4.7
211.15202	0.5
212.13712	0.4
213.14948	0.5
221.15483	1.4
227.12785	0.7
229.14296	0.3
235.08183	3.0
240.13589	0.5
241.14261	0.3
247.20657	2.7
253.09258	11.2
254.09465	0.4
263.20151	1.8
273.18610	2.0
281.21225	1.2
289.18015	1.1
290.18332	0.5
291.19666	30.1
292.19955	2.9
293.21109	1.2
307.19238	0.8
308.19614	0.5
309.20706	100.0
310.21051	8.4
311.21979	0.9
527.28729	1.8
545.29688	13.9
546.29974	2.2
570.70483	0.3
601.41095	0.6
837.49677	3.4
838.49896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.7
61.98735	0.3
67.01768	0.3
67.61105	0.3
69.03358	1.1
71.01252	4.3
71.04904	0.6
73.02859	1.0
80.02582	0.3
81.03346	0.4
83.01292	0.6
83.04946	0.8
85.02827	1.3
87.00758	0.5
89.02309	3.1
91.04906	0.3
95.01245	0.3
95.04950	0.6
97.02828	2.9
97.06538	1.0
98.20630	0.8
99.00853	0.4
99.91241	0.3
101.02321	3.8
101.02892	0.3
108.59293	0.3
109.06466	1.7
111.08040	2.8
113.02332	1.9
119.03414	0.7
121.10143	0.5
123.04459	0.4
123.08096	0.9
125.02356	0.4
125.06003	0.3
125.09595	1.7
127.07658	0.4
135.08153	0.4
137.09653	1.1
145.05032	0.4
151.11278	0.7
152.94008	0.3
153.09045	0.3
153.12856	0.5
161.04468	1.8
161.09641	0.3
163.11230	2.6
165.12759	5.3
165.14059	0.3
167.14351	0.8
169.12254	1.4
171.10202	2.9
177.12820	0.4
179.05603	0.9
179.14362	1.7
181.12224	2.0
183.13878	0.8
185.11818	1.0
193.12296	0.7
193.15947	1.1
195.13872	1.3
197.11765	13.6
198.12244	0.7
199.13353	1.0
207.10271	0.4
209.11757	1.4
211.13329	10.3
212.13641	0.7
217.15906	0.4
219.17511	0.3
223.13300	2.1
227.12779	1.4
235.08241	2.3
235.13400	0.4
239.12790	0.5
247.20647	5.4
248.21025	0.7
253.09261	14.5
254.09544	0.5
263.20212	0.9
265.18106	0.4
273.18619	2.2
274.19220	0.4
275.20087	0.3
289.18100	0.9
291.19659	69.1
292.19986	5.3
293.21237	9.1
294.21683	0.6
309.20694	100.0
310.21036	7.3
311.22321	1.2
323.22269	1.3
325.20178	4.6
326.74075	0.3
327.21667	0.4
426.99646	0.3
481.98795	0.3
527.28748	2.0
545.29822	2.8
546.29565	0.6
601.40833	1.0
739.42474	0.9
837.49176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.8
60.09902	0.3
61.98709	0.3
69.03358	0.9
71.00932	0.5
71.01258	3.7
71.04909	0.5
73.02866	1.0
80.02584	0.4
81.03373	0.5
83.01308	0.6
83.04943	1.0
84.02095	0.4
85.02845	0.8
87.00777	0.6
89.02312	3.0
95.01292	0.4
95.04939	1.1
97.02827	1.7
97.06503	0.8
99.04447	0.3
101.02327	3.9
108.86166	0.3
109.06506	1.2
111.08078	1.4
113.02350	2.3
113.05959	0.4
118.29605	0.3
119.03439	1.0
121.10129	0.4
123.04456	0.5
123.08100	1.0
124.96124	0.3
125.09608	2.7
127.07600	1.0
135.08118	0.9
137.09637	0.8
141.09122	0.4
141.12822	0.5
143.03416	0.5
150.10277	0.3
153.09120	3.5
153.12794	0.6
161.04443	1.8
161.09575	0.4
163.11205	3.6
165.09164	0.6
165.12769	6.3
165.14085	0.5
166.13216	0.5
169.12262	0.5
171.10184	7.1
177.12881	0.7
179.05559	0.7
179.14383	2.1
181.12267	1.8
183.13910	0.4
185.11765	1.8
189.12718	0.4
191.10835	0.7
191.14406	0.6
193.12263	0.5
193.15965	1.7
195.13850	1.5
197.11774	6.0
197.15459	0.3
199.55565	0.3
207.14163	0.4
209.11781	10.3
211.13321	6.6
212.13779	0.5
217.15935	0.5
221.11928	0.4
223.13326	3.1
235.08183	2.8
238.11996	0.5
245.19031	1.0
247.20645	6.2
248.21091	0.6
253.09251	16.4
254.09589	0.6
256.13065	0.4
263.20081	0.9
273.18613	2.3
275.20157	1.5
277.21814	0.5
289.18088	4.1
290.18423	1.1
291.19659	81.0
292.19971	6.7
293.21225	20.9
294.21677	1.5
297.20850	0.5
303.19611	0.4
307.19128	12.5
308.19565	2.0
309.20700	100.0
310.21036	9.8
311.36078	0.4
323.22272	6.0
324.22571	0.6
325.20212	8.0
326.20401	0.7
327.21774	0.5
407.19003	0.5
411.28665	0.4
429.30389	0.4
525.26624	0.6
527.28577	1.6
543.28143	3.9
545.29376	1.2
561.29095	1.1
578.43207	0.3
583.39703	0.7
601.40747	0.5
647.37622	0.5
665.97345	0.3
750.41388	1.2
819.48932	3.6
820.48474	1.2
837.50122	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	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.3
61.98700	2.4
62.59181	1.0
69.03312	2.3
71.01250	12.7
72.99146	1.2
73.02808	2.4
73.13162	0.8
78.95743	1.5
80.02556	0.9
83.01243	2.5
83.04924	1.2
85.02814	3.5
87.00743	2.9
89.02316	6.4
95.01241	1.4
95.04912	1.2
96.95876	4.4
97.02811	2.8
97.06463	3.0
99.08025	1.1
101.02332	8.4
107.04920	1.0
111.08054	4.7
113.02316	5.8
113.09566	1.1
115.07481	1.7
119.03378	1.5
123.04482	1.1
123.08074	1.1
125.09647	2.5
127.07516	1.4
129.01830	0.8
139.11066	0.9
139.57507	0.9
151.11183	1.7
153.12827	1.6
161.04462	3.6
163.11127	1.6
165.12831	5.4
167.10712	1.9
167.14336	1.5
171.10161	3.7
176.46068	0.8
179.05531	1.1
179.14471	1.1
181.12245	4.6
183.13846	1.9
185.02396	1.1
191.14359	1.8
193.12216	2.2
195.13846	2.5
197.11749	6.6
198.11934	1.5
201.11220	4.1
209.11778	11.0
210.12024	1.6
211.13400	6.7
221.15503	2.0
227.12769	2.6
235.08192	4.6
237.11328	1.3
239.12872	1.1
241.14424	1.4
245.19119	3.2
246.19244	1.0
247.20630	9.6
253.09247	12.8
254.09488	1.5
263.20181	2.3
265.21729	74.8
266.22046	5.4
273.18588	3.1
277.18994	1.0
277.21619	5.3
281.21204	1.6
289.18054	9.1
290.18445	3.6
291.19659	46.3
292.20053	7.1
293.21158	11.0
294.21552	2.9
295.22495	1.9
307.19089	11.2
308.19424	4.3
309.20715	72.5
310.21036	12.8
311.22159	12.7
324.22708	1.2
337.28293	1.0
341.19571	1.5
527.28619	3.3
543.28412	1.3
545.29584	7.9
546.29993	1.9
547.30750	1.3
549.69464	1.2
556.73645	1.3
581.08197	0.9
601.40796	1.3
784.66559	1.3
837.50024	100.0
838.50397	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	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70800	0.9
63.96104	2.5
71.01243	8.2
73.02821	2.0
78.98464	7.5
79.95606	18.3
80.96391	94.0
85.02822	3.6
87.00740	3.1
94.97958	18.9
96.95848	1.5
97.02832	1.7
98.19677	1.7
99.59078	0.8
101.02310	2.2
101.90003	0.9
103.76739	0.9
106.97944	3.3
114.59918	0.9
118.01875	0.8
122.97448	4.5
125.02345	3.3
134.97458	5.3
136.99020	1.4
148.99033	7.3
152.98541	5.6
164.98557	11.6
206.99579	2.7
225.00694	15.7
243.34555	0.9
277.21805	1.8
289.75705	1.0
559.25885	2.4
837.48260	100.0
838.48566	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	837.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.8
64.36632	1.1
71.01255	5.3
71.05722	2.8
73.02797	1.4
83.01274	1.6
85.02809	2.0
87.00739	2.4
94.06516	1.4
99.00725	1.1
101.02312	2.1
106.06480	2.2
110.06016	1.4
115.07549	3.0
121.05207	1.7
122.06010	9.3
134.06044	5.3
136.07581	2.0
140.07069	21.2
148.03929	1.4
148.07661	1.6
149.04694	2.1
150.05557	2.6
152.07054	2.4
161.04752	1.9
162.05524	3.8
164.07051	5.2
165.44891	1.2
166.04991	1.4
172.03915	1.7
174.05527	2.4
188.03578	1.1
196.07646	4.1
198.05600	1.4
204.06589	2.0
211.05098	3.9
211.08727	4.0
212.05869	6.9
213.06332	1.4
215.11783	1.5
223.08687	3.1
224.05733	2.0
224.09235	1.3
225.06613	5.0
225.10313	4.6
226.07220	2.8
227.08266	2.6
227.12030	1.4
227.60442	1.4
229.09772	1.6
237.10400	1.3
238.07440	2.5
239.08220	18.9
239.11903	1.6
240.08914	7.8
241.09750	5.3
242.10413	3.1
243.11406	3.6
249.06538	1.9
250.07742	1.0
251.04562	2.8
251.08276	2.8
251.11934	1.2
252.05411	3.7
252.09230	3.6
253.06175	15.2
253.09746	6.8
254.06734	2.7
254.10547	2.4
255.11316	9.8
257.09375	2.5
259.10956	1.6
261.12418	8.4
262.07510	1.7
264.08984	3.5
265.06238	3.3
265.09857	6.1
266.06906	3.9
267.07718	35.0
267.11322	3.9
268.04916	5.1
268.08405	6.7
269.09158	5.0
269.12793	1.7
270.10074	9.4
271.10858	3.6
273.12488	1.7
277.09836	2.2
278.07397	1.4
279.07721	7.6
279.10910	2.6
280.08365	6.1
281.09332	13.4
282.09860	1.3
283.10950	5.7
284.04382	2.2
284.07944	2.4
285.09213	3.0
285.12411	39.2
286.12695	4.9
293.09473	8.0
294.10150	1.8
295.10886	15.5
296.11508	3.5
297.12485	13.8
298.09528	1.3
299.10349	6.2
300.07718	1.7
300.11078	4.4
301.11813	6.1
303.13531	7.7
309.08905	1.8
311.88104	1.5
313.11908	3.0
321.08813	11.5
322.09180	1.6
323.10361	17.6
324.10669	2.1
339.09860	1.7
341.11508	5.1
353.11407	2.5
355.12955	4.2
365.14627	5.1
373.14130	1.6
374.14893	2.0
378.14581	1.7
426.18488	2.5
432.15747	1.3
433.15811	2.4
434.17050	2.4
438.16788	2.0
460.15210	2.1
463.17261	2.5
478.16644	1.2
575.18939	3.2
577.20270	3.8
759.28491	2.0
787.28192	20.5
788.28558	4.6
791.31372	2.3
805.29767	5.6
809.31946	1.4
819.30969	100.0
820.31158	25.5
837.32025	42.0
838.32648	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	835.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.3
71.01254	4.7
71.43747	0.8
73.02827	0.6
74.08754	0.5
77.87321	0.4
83.01283	0.5
85.02814	2.0
87.00745	0.7
89.02301	3.3
95.04903	0.6
101.02344	4.0
107.04934	0.7
111.00746	0.7
111.08042	1.3
113.02325	3.0
113.09562	0.6
119.03389	1.2
120.91696	0.5
125.09609	1.1
141.09081	0.7
146.97139	0.6
161.04468	2.0
163.11198	1.2
165.12735	3.3
171.10071	0.7
179.05519	0.7
181.12239	1.3
183.13797	0.7
190.42792	0.5
193.12286	0.9
195.13876	7.7
197.11699	1.3
209.11775	0.9
211.13313	1.1
217.15790	0.6
222.74315	0.5
223.13322	5.8
228.13582	0.9
231.21150	0.7
235.08243	3.6
241.90762	0.5
247.20624	2.1
253.09265	20.7
254.09731	0.9
256.13098	1.1
273.18582	2.4
275.20148	7.0
277.21567	0.6
289.17847	0.6
291.19656	39.6
292.20071	3.6
293.21219	100.0
294.21570	9.5
305.20993	0.7
307.19467	1.1
307.22882	0.8
308.19879	1.5
309.20688	1.1
323.22266	91.9
324.22571	9.9
527.28241	0.9
529.30463	1.5
559.31042	5.2
583.19427	0.7
734.43036	1.0
835.52411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.5
61.98697	2.2
69.03322	1.6
71.01257	10.1
71.31466	0.7
71.31792	0.6
72.99206	0.7
73.02814	1.8
73.93462	0.5
74.14801	0.5
81.03352	0.9
83.01260	0.8
83.04897	2.1
85.02829	2.5
87.00754	2.3
89.02326	4.8
91.44232	0.6
95.04901	2.0
97.02826	0.9
97.06475	6.1
99.00766	0.8
101.02317	7.0
108.02113	0.6
109.02797	0.6
109.06472	1.8
111.00746	1.2
111.08035	1.9
113.02348	3.6
113.09605	1.6
115.07526	1.1
119.03401	1.7
123.04360	0.8
123.08044	0.8
125.05936	0.6
125.09589	1.5
127.07588	0.7
133.24080	0.6
137.05937	1.0
137.09645	0.9
139.07516	0.8
139.11162	1.1
141.09093	1.6
145.05013	0.9
145.93111	0.6
149.09644	1.1
151.11188	5.0
153.09117	1.2
155.10670	2.2
161.04454	2.1
163.11208	3.0
165.12772	8.0
167.10703	1.8
167.14330	2.1
169.12262	2.0
177.12788	1.6
179.05598	0.8
179.10670	2.9
181.12270	8.4
183.13817	2.3
191.10715	2.9
191.14391	1.8
193.12247	1.6
195.13792	2.6
197.11781	1.7
199.09650	0.9
205.12231	1.8
209.11772	18.7
210.12033	1.1
211.13335	6.8
213.14714	0.6
221.11656	0.6
221.15364	3.2
223.13345	0.8
225.11253	1.1
227.12880	5.7
228.13029	0.8
229.14417	0.9
235.08224	5.4
239.12981	1.0
241.14244	1.1
245.19106	7.6
247.20711	4.8
253.09306	11.2
255.15967	1.0
261.18658	0.6
263.20145	8.4
265.21716	4.7
266.21835	0.7
271.17093	1.0
273.18591	2.8
277.21582	1.0
279.19812	1.2
281.21176	2.0
289.18127	13.5
289.21191	0.5
290.18423	1.6
291.19666	41.3
292.19995	4.1
293.21231	1.4
307.19150	37.0
308.19644	3.4
309.20715	100.0
310.21085	8.7
311.22311	1.1
315.87805	0.6
445.20856	5.5
460.19226	0.9
483.30988	1.5
501.32281	1.6
525.26801	0.9
527.28302	3.3
543.28058	5.8
544.28241	0.9
545.29785	12.9
546.29791	1.6
546.37805	0.7
681.38287	0.8
719.39978	1.6
737.41479	2.3
752.39795	1.2
799.47089	0.8
817.48083	1.4
835.48584	7.5
836.48700	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	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.6
61.28074	0.5
61.98695	1.0
63.67417	0.6
68.99673	0.6
69.03328	2.7
69.25914	0.7
70.26283	2.2
71.01251	12.4
72.99188	1.3
73.02827	2.5
78.97096	0.5
80.02567	1.3
81.03335	2.6
83.01261	3.2
83.04887	2.4
85.02834	3.7
87.00755	3.1
89.02309	7.4
95.01252	1.4
95.04903	2.7
97.02822	3.3
97.06493	5.8
99.00745	0.8
101.02325	9.9
106.04130	0.7
109.06463	1.9
110.97289	0.6
111.08042	3.6
113.02325	5.4
113.09582	1.6
115.07545	1.6
119.03389	1.5
121.06476	1.1
123.04424	3.1
123.08042	2.4
125.05967	1.9
125.09614	8.4
127.07562	1.1
129.01872	0.7
135.08116	1.2
137.05936	0.6
137.09634	3.4
141.09100	1.0
141.12727	0.9
143.03459	1.1
143.07051	0.5
145.04927	1.3
149.09637	0.9
151.11200	2.6
151.35722	0.6
153.12753	1.0
155.10695	0.8
158.47580	0.6
161.04485	3.7
161.09616	1.0
162.10394	0.8
163.07483	0.8
163.11198	7.7
165.09125	0.6
165.12772	5.0
167.10696	2.0
167.14349	1.9
169.12297	1.4
171.10237	2.0
175.11237	1.0
177.12759	1.5
177.88498	0.6
179.05515	0.8
179.10707	1.9
181.12267	5.4
183.13786	2.1
185.11748	9.3
187.09647	0.9
189.12866	0.6
191.10742	1.6
191.14357	7.8
193.12288	2.1
195.13826	3.6
197.11760	9.9
203.10846	0.7
203.14441	0.8
207.10178	3.7
207.13873	1.1
209.11778	21.8
210.12119	0.9
211.13348	7.0
212.13803	0.6
213.14798	0.7
217.15898	1.5
221.11757	1.5
221.15442	3.7
223.13350	1.1
225.11253	3.0
226.11876	0.7
227.12862	2.3
229.14432	1.2
235.08188	7.1
237.11232	3.4
237.22069	0.6
239.12767	0.6
240.13498	0.6
241.14465	1.0
243.17599	1.0
245.19075	14.7
246.19370	0.9
247.16861	0.9
247.20631	3.5
253.09253	20.0
263.17145	0.8
263.20123	8.1
264.20291	0.7
271.16983	2.5
273.18597	2.7
281.21207	1.7
287.16586	0.6
289.18097	57.5
290.18393	5.0
291.19669	39.5
292.19949	3.4
293.21219	0.9
305.17349	1.0
307.19159	57.1
308.19501	4.1
309.20715	100.0
310.21008	7.7
311.22177	0.8
315.19604	2.4
325.20361	1.0
333.20636	1.1
445.20743	2.6
477.56012	0.7
483.31107	1.8
501.32251	3.2
525.26941	1.9
527.28729	2.1
543.27924	3.8
544.28473	0.7
545.29785	5.9
599.39166	4.8
617.40839	1.7
701.39136	0.8
719.40363	2.6
737.41180	3.8
738.41010	0.8
799.46094	0.8
817.47632	2.0
835.48663	8.4
836.48767	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.6
59.01248	11.5
61.98700	30.4
62.98409	0.5
68.50375	0.5
69.03339	1.5
71.01249	9.6
71.04909	1.8
72.99189	0.7
73.02840	1.3
78.95823	0.5
80.02534	0.9
81.03353	1.9
83.01268	1.1
83.04918	1.3
84.10951	0.5
85.02841	2.9
87.00770	1.8
89.02308	4.9
89.33096	0.5
92.73769	0.5
93.03336	0.6
95.01281	1.4
95.04905	1.9
97.02827	3.2
97.06483	2.7
98.80570	0.5
101.02325	5.9
106.04123	1.1
107.04922	0.7
108.02002	0.5
109.06459	2.8
110.03641	0.7
111.00716	0.5
111.08058	2.1
113.02325	3.8
119.03421	1.4
119.08548	0.8
121.06510	1.6
123.04366	2.8
123.08072	2.0
125.05994	1.1
125.09601	4.8
127.07542	1.2
127.11203	0.6
135.04472	0.5
135.08072	1.1
137.09636	3.5
141.12750	1.1
142.02672	0.8
145.05035	0.7
145.06485	0.8
148.08820	1.0
149.09610	0.8
151.11165	0.6
153.09177	0.9
161.04482	2.8
161.09605	0.8
162.10460	0.5
163.07576	0.9
163.11179	10.6
164.11497	0.7
165.12755	8.4
166.09944	0.8
167.10735	0.5
171.10165	13.2
172.10545	0.7
175.11185	0.8
177.12784	1.2
179.05566	0.7
179.10678	0.6
179.14319	2.7
181.12253	2.1
185.11769	7.5
186.12051	0.5
189.12688	0.5
191.14314	7.6
193.15921	1.6
195.13855	1.2
197.11766	5.8
199.13199	0.5
202.13492	0.5
205.16014	0.6
207.10217	4.1
209.11729	4.0
211.13333	2.0
217.15915	1.9
221.11742	1.0
223.13310	2.7
225.11305	3.5
225.14735	0.6
229.19804	0.5
235.08192	4.4
235.13335	1.4
241.14211	0.6
245.19052	12.9
246.19394	1.3
247.20631	6.9
248.20941	0.9
251.73584	0.5
253.09247	20.8
254.09567	1.0
255.17519	0.7
261.18683	0.7
263.20065	0.7
269.58640	0.5
271.17053	2.6
273.18576	2.6
287.16522	1.9
289.18079	100.0
290.18433	9.2
291.19632	76.6
292.19965	7.4
293.21164	2.3
299.20166	0.7
303.19843	0.6
305.17575	1.3
307.19119	33.6
308.19461	3.8
309.20682	93.9
310.20972	8.4
323.15192	0.5
325.20428	1.2
360.04318	0.6
407.18884	0.6
409.27444	1.7
427.28409	1.6
525.27545	2.8
527.28381	0.8
543.27844	0.8
545.29510	1.6
581.38281	0.8
599.39526	0.8
600.39661	0.7
691.36804	0.7
817.47607	4.8
818.46344	1.2
835.49786	3.2
836.49445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.4
68.39165	0.9
69.16914	10.8
71.01252	14.3
72.99187	1.4
73.02818	1.3
78.45773	0.9
80.04939	1.8
83.01260	2.1
84.07263	1.0
85.02825	4.5
87.00768	2.1
89.02313	9.7
90.36397	1.0
95.01267	1.3
101.02325	7.0
104.10732	1.0
106.06509	3.2
107.03696	1.2
113.02328	5.7
119.03412	3.5
120.04460	1.1
122.05994	8.3
126.10011	1.1
132.04475	1.4
134.06000	23.8
136.07571	1.3
146.06091	1.4
152.07039	5.0
158.06065	1.3
160.03947	1.5
160.06310	1.6
161.04430	1.1
174.05492	2.3
180.06534	1.3
190.04991	1.9
209.11794	6.7
211.08942	1.2
213.10214	7.3
215.21564	1.1
225.10249	2.1
226.11079	1.1
227.12936	2.4
235.08524	2.0
237.10217	1.6
239.11823	5.9
241.13481	3.7
249.10320	3.3
250.07590	1.3
251.08238	3.3
251.11984	3.5
252.09131	1.8
253.09901	4.5
263.08234	2.6
264.09079	1.9
265.09824	4.8
267.11383	3.2
277.06012	1.0
277.09814	4.1
278.06995	2.8
278.10590	5.4
279.07721	4.4
279.11310	7.0
283.02383	1.6
285.12527	9.0
289.09888	1.1
291.07742	1.4
292.08417	2.6
293.09311	10.5
293.12625	2.2
294.10004	3.7
295.10806	5.7
296.11618	1.0
305.09283	3.5
307.10901	6.3
309.12457	2.1
314.12442	1.2
321.08929	4.5
333.08835	1.8
337.08334	2.5
337.12027	1.8
338.09155	1.2
339.09991	4.5
342.12463	1.2
351.09860	2.3
356.13745	1.3
356.17795	1.2
357.14539	1.2
358.15457	2.4
372.17075	1.4
384.13562	2.4
397.13693	3.5
398.15015	2.9
399.15607	1.5
400.16516	6.4
412.16721	3.2
413.17368	1.4
425.16864	1.3
441.16739	1.1
458.17416	1.6
468.15677	1.4
486.16772	2.3
517.17963	1.3
580.24609	1.0
605.23810	1.2
607.12610	1.2
620.22473	4.1
621.23456	1.3
638.23499	6.4
648.22174	4.7
649.22644	3.8
664.52295	1.0
666.23035	27.8
667.23792	3.6
680.24634	4.2
698.25769	1.5
712.27075	12.0
713.27484	1.5
727.30164	7.8
728.30084	1.8
759.32104	2.8
771.14520	1.5
771.28815	56.8
772.29071	10.6
803.31409	100.0
804.31769	23.4
835.34106	15.5
836.34448	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	835.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	32.3
60.99176	1.4
61.98715	2.8
65.17954	1.0
71.01256	11.7
71.52318	1.4
72.99172	1.5
73.02834	1.3
73.08936	1.3
79.81058	1.2
83.01265	1.3
85.02798	1.8
87.00772	1.8
88.98672	12.7
89.02318	15.7
93.03325	1.5
95.01244	1.3
96.95920	1.5
101.02329	7.3
108.02090	2.5
109.02851	1.4
113.02337	6.0
119.03400	5.0
121.01691	0.9
121.02820	3.4
123.00807	1.7
123.04375	2.2
134.03674	2.3
136.01538	10.7
137.02368	13.3
139.04128	1.1
142.30829	1.3
143.03423	2.2
148.15466	1.0
149.02365	4.0
149.05966	2.0
150.03140	2.1
151.00284	2.8
151.03876	9.5
152.00992	2.1
153.01694	1.2
159.04504	1.2
160.01532	3.1
160.05208	1.4
161.02303	1.5
161.04482	2.1
161.05902	1.1
163.03889	1.6
164.01057	1.3
164.04811	1.3
165.01840	100.0
166.02559	8.9
167.03439	1.4
175.03880	2.1
176.04707	1.5
177.01848	21.3
178.02167	1.6
179.03418	18.2
179.05479	3.6
180.04198	71.4
181.04935	10.1
182.01768	1.2
188.04732	1.3
189.05463	2.6
190.06268	2.0
192.04213	16.7
193.04674	1.8
194.05740	8.3
195.06557	98.7
196.06877	3.9
206.05827	2.0
207.06566	22.2
208.06868	1.5
209.08139	1.1
209.11656	1.5
210.05270	15.6
221.08109	1.3
222.06778	1.1
225.07629	98.1
226.07965	5.5
233.08061	1.2
257.25815	1.2
258.01694	1.8
259.02475	1.6
271.02332	1.3
272.03171	2.9
278.05881	2.4
283.02563	2.5
293.08212	5.5
294.05231	2.3
294.08514	1.1
297.07547	1.6
301.03632	8.8
302.04007	1.6
307.09702	2.5
308.10541	4.1
309.07629	5.3
309.11035	1.1
311.09412	1.4
313.03238	1.2
324.10019	11.6
326.11566	1.7
331.04465	2.3
339.08698	2.1
339.12354	19.1
340.13034	1.1
342.11139	2.5
354.10596	1.2
357.13452	17.0
358.13632	1.7
368.12677	1.4
369.13422	11.1
381.59821	1.1
387.13852	3.4
399.14432	16.2
400.14661	3.1
407.12057	1.2
417.15549	3.7
429.15533	13.0
430.16150	1.8
447.16602	1.9
501.17410	1.2
547.19586	1.6
565.20752	1.4
577.20953	2.9
595.21893	14.3
596.22479	2.9
607.21582	3.1
613.23041	8.1
614.23212	2.1
619.21747	1.6
655.23798	17.8
656.23883	4.1
673.24591	2.3
835.27313	3.7
836.27246	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	834.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
61.98702	100.0
68.13221	0.1
71.01275	0.6
72.99667	0.1
78.95771	0.3
79.86646	0.1
80.91558	0.1
80.96375	0.3
83.04874	0.2
89.02335	0.2
92.64830	0.1
97.02850	0.4
98.20651	0.3
101.02352	0.5
109.06487	0.3
111.08144	0.1
117.06971	0.1
121.06593	0.1
125.09586	0.2
125.75470	0.1
133.00085	0.1
135.08139	0.1
137.09630	0.3
137.67291	0.1
152.31242	0.1
171.10208	0.4
185.11804	0.2
195.13849	0.1
197.11815	0.4
209.11780	0.2
211.13412	0.5
212.13684	0.3
235.08272	0.3
245.19016	0.2
253.09241	1.1
255.23399	0.2
271.16998	0.2
282.01575	0.2
283.02451	0.2
287.16507	0.3
289.18082	4.0
291.19662	1.7
292.20148	0.1
293.21387	0.3
305.17667	0.2
307.19131	1.1
309.20697	3.6
310.21100	0.3
311.22287	0.2
459.85144	0.1
525.27338	0.2
684.10028	0.1
723.80927	0.1
816.46527	0.3
817.48047	0.2
834.50195	0.3
835.44043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5184
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01250	1.4
69.13704	0.7
71.01250	1.4
76.36742	0.8
78.95773	100.0
79.95612	1.6
80.96394	8.7
81.95198	0.7
82.95962	1.2
94.97955	0.8
96.96840	22.9
97.70205	0.7
116.92602	0.6
122.66621	0.7
122.97492	1.6
134.98439	1.4
152.99490	28.1
164.98535	1.0
223.00075	9.1
225.00664	1.1
241.01151	39.8
242.01497	1.5
255.23274	72.1
256.23663	7.5
257.23907	0.9
259.02292	3.7
277.21704	1.6
278.22156	1.6
279.23282	58.4
280.23611	4.0
297.03818	1.9
315.04797	1.0
391.22571	6.9
392.22705	1.5
415.22498	1.3
432.59091	0.9
553.27875	7.1
577.27802	1.0
736.41321	0.7
833.51764	99.0
834.52087	25.4
838.41876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.9
61.98703	9.7
67.01770	0.5
69.03326	0.8
71.01256	6.2
71.04877	2.1
71.51636	0.5
73.02810	0.9
75.00752	0.5
75.86320	0.3
80.02563	0.7
81.03320	1.4
83.01258	1.8
83.04885	1.2
85.02817	1.6
87.00726	1.1
89.02323	3.1
95.04887	2.4
97.02811	1.0
97.06455	2.1
101.02322	4.2
106.04126	0.9
109.06474	6.5
110.06808	0.3
111.04381	2.2
111.08027	1.3
112.05256	0.4
113.02338	2.4
119.03399	1.1
119.04853	0.4
120.68649	0.3
121.06463	1.1
121.15770	0.4
123.04398	1.5
123.08079	2.0
125.02368	0.4
125.09622	3.4
127.07504	1.2
135.08054	1.4
136.05302	0.4
137.05997	0.5
137.09598	2.2
139.11337	0.3
143.10684	1.2
145.04935	0.6
145.06485	1.2
147.07970	0.6
149.05977	0.5
149.09627	0.7
151.11179	0.9
153.09171	0.5
159.08125	0.5
161.04475	1.4
161.09549	0.5
163.11189	3.0
165.09123	0.4
165.12749	1.2
167.10661	1.4
171.10141	1.2
175.11099	0.6
177.12747	1.0
179.05525	0.8
179.10663	1.0
181.12213	1.2
183.13594	0.4
185.11737	4.6
189.12729	0.8
191.10606	0.6
191.14345	3.2
193.12206	0.4
195.13759	2.6
197.11790	0.8
207.10216	1.2
209.11763	8.2
211.13339	0.8
217.15907	0.6
225.11258	1.4
235.08183	2.7
237.11269	1.4
237.14967	1.8
243.17532	1.0
245.19092	8.3
246.19405	1.0
247.20517	0.5
253.09259	10.0
261.18567	0.5
263.20117	2.1
271.17050	2.3
287.16455	5.0
288.16800	0.6
289.18088	100.0
290.18417	9.0
291.19659	3.4
293.21167	0.7
301.18344	0.4
303.16071	0.6
305.17584	3.8
307.19144	28.9
308.19373	1.9
309.20657	4.6
453.98773	0.5
481.29428	1.0
499.30634	0.9
517.31720	0.8
525.26935	1.4
543.28253	1.0
579.36871	1.1
597.38190	1.3
717.38928	0.7
735.39380	0.9
765.52747	0.4
797.43732	0.5
815.46307	2.0
833.47687	3.0
834.47382	0.9
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
59.01249	0.3
61.98704	100.0
62.18544	0.1
70.23199	0.1
71.01271	0.4
71.52231	0.1
71.52581	0.1
75.00751	0.4
78.95812	0.2
79.95613	0.1
80.96380	0.6
83.57321	0.1
88.98700	0.2
89.02332	0.2
94.55454	0.1
94.98003	0.2
101.02339	0.2
138.40543	0.1
159.10193	0.2
164.98590	0.1
171.10168	0.1
183.90442	0.1
207.10475	0.1
209.11783	0.2
211.13458	0.1
225.00771	0.1
225.11298	0.2
248.85229	0.1
253.09317	0.2
255.23317	0.1
277.21863	0.5
279.23077	0.1
289.18253	0.1
293.21216	0.8
309.20813	0.2
356.88916	0.1
397.13620	0.2
759.07422	0.1
833.37189	0.3
833.52374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.2
70.38064	1.1
71.01241	3.1
78.95776	47.1
78.98451	1.2
79.95611	5.9
80.96391	19.7
81.03304	0.4
84.60345	0.3
87.00735	1.2
94.97969	3.3
96.95903	0.6
96.96839	11.6
106.97957	0.7
122.97471	2.9
125.02392	0.5
134.97423	1.8
134.98396	0.7
148.98999	1.2
152.98541	1.3
152.99512	15.5
164.98528	2.6
171.00444	0.4
179.00215	0.4
206.99623	0.5
223.00078	5.9
223.02182	0.8
225.00693	4.1
241.01154	27.4
242.01436	0.6
250.55786	0.4
253.21616	0.7
255.23268	45.5
256.23587	3.5
259.02264	2.2
275.20306	0.4
277.21713	26.6
278.22055	2.7
279.23264	0.8
297.03833	1.7
320.14063	0.4
322.40396	0.4
333.25519	0.5
335.03888	0.4
391.22519	6.8
409.23596	0.7
413.20987	1.0
413.70255	0.4
553.27899	6.5
554.28595	1.0
571.28619	1.1
575.25940	1.6
831.50079	100.0
832.50421	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	831.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
61.98706	0.5
63.45020	0.3
63.96102	1.5
69.03326	0.8
71.01255	7.6
71.84354	0.3
72.99157	0.7
73.02821	1.7
75.00761	0.5
78.98464	5.7
79.95608	26.0
80.96393	71.7
81.03333	0.7
82.95945	0.3
85.02831	2.4
87.00745	2.1
93.97210	0.5
94.97961	16.2
96.95900	1.5
97.02835	1.5
101.02316	2.4
106.97958	2.7
113.02370	0.4
118.26437	0.3
122.97478	4.3
125.02337	2.7
127.03899	0.9
134.97467	5.2
136.99063	1.7
148.99042	6.2
152.98529	6.0
157.93394	0.3
161.04494	0.7
164.98553	11.0
167.00226	0.3
167.31976	0.4
179.00043	0.4
189.95459	0.4
206.99634	3.4
224.03522	0.4
225.00705	19.3
226.01108	1.0
226.55028	0.3
241.00246	0.7
255.23166	1.6
283.04968	2.2
341.05307	1.7
355.07187	1.0
383.09833	0.4
411.13321	0.4
537.27368	1.5
538.28149	0.4
575.25250	1.3
609.29669	1.0
623.30084	0.4
637.32263	0.7
651.34357	0.4
693.38989	0.8
733.42676	0.5
831.49347	100.0
832.49609	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	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
63.96113	2.0
65.01185	0.4
69.03331	0.9
69.92873	1.9
71.01261	9.9
72.99189	0.9
73.02820	2.4
73.80470	0.5
78.98462	7.7
79.95119	1.0
79.95610	45.9
80.96394	100.0
82.95967	0.7
83.01250	0.8
85.02821	3.4
87.00734	3.7
94.97964	22.7
96.95888	2.1
97.02844	2.2
98.20514	0.5
99.00742	0.8
101.02312	3.1
106.97973	4.5
122.97456	5.7
125.02337	3.8
127.03910	1.1
134.97490	6.3
136.99045	2.7
146.97507	0.7
148.99049	8.9
150.96986	0.5
152.98555	8.3
161.04439	1.3
164.98544	16.7
179.00076	0.7
206.99646	4.5
225.00710	28.3
226.01106	1.3
241.00121	1.0
255.23250	2.1
283.04849	2.7
341.05405	1.8
355.07086	1.7
397.11581	0.7
411.13327	0.8
537.27386	3.3
575.25269	0.6
586.59326	0.6
609.29285	1.4
623.30817	0.8
637.32434	0.9
651.34076	0.6
693.38928	1.0
733.42584	1.1
831.49353	76.1
832.49707	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	831.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
63.96105	1.3
69.03344	1.0
71.01254	7.0
71.35587	0.5
73.02798	1.4
75.00732	0.7
76.00463	0.5
78.98468	6.0
79.95604	29.7
80.96388	74.5
81.03322	0.7
83.01263	0.6
83.04433	0.6
83.83344	0.6
85.02829	2.6
87.00759	2.4
90.57832	0.6
94.97957	16.3
96.95901	1.6
97.02843	1.7
101.02325	3.2
106.97964	3.0
122.97450	4.3
125.02330	2.8
127.03931	0.7
134.97470	4.4
136.99046	1.5
148.99037	6.4
152.98534	6.4
161.04472	0.9
164.98546	10.7
179.00058	0.8
206.99660	3.3
225.00677	17.9
226.01126	1.1
255.23293	1.6
283.04929	2.5
341.05374	1.1
355.07233	0.7
411.13260	0.7
519.80908	0.6
537.27350	1.8
575.24982	1.2
609.29266	0.9
637.31610	0.9
665.35162	0.8
761.41864	0.7
774.51715	0.6
831.49323	100.0
832.33813	1.4
832.49597	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.6
59.01245	7.9
61.98702	47.0
66.02718	0.5
69.03323	1.3
71.01274	3.2
71.04868	0.7
71.31805	0.9
72.99178	1.5
73.02820	0.7
74.26676	0.6
75.00752	1.3
78.91757	0.6
78.95766	1.7
80.96407	0.6
85.02813	1.4
87.00759	0.8
88.98679	1.5
89.02307	2.3
93.19112	0.6
97.02821	2.1
97.48919	0.6
101.02333	3.4
111.08059	2.8
113.02310	1.7
117.06992	1.3
119.03324	0.6
125.09641	1.0
152.99496	1.2
161.04466	2.0
165.12793	1.7
167.10834	0.9
167.14426	0.6
171.10184	2.4
179.95973	0.6
181.12277	0.9
181.56786	0.5
183.13832	7.1
185.11774	0.9
193.12300	2.0
197.11763	10.2
209.11783	1.8
211.13338	100.0
212.13701	5.0
223.13321	0.6
227.12758	1.0
235.08197	5.0
247.20503	1.3
253.09296	11.4
263.20068	0.8
277.21860	0.8
289.18051	1.1
291.19650	16.5
292.20016	1.5
307.19193	0.6
309.20703	38.1
310.21173	3.1
393.83191	0.6
447.22412	9.8
448.23059	0.9
503.33841	0.9
527.29315	1.3
545.29669	2.6
739.43103	1.7
831.45880	1.7
832.46338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
61.98705	100.0
62.98431	0.1
71.52253	0.2
72.99188	0.3
75.00745	1.1
75.93235	0.1
88.98694	0.3
92.86573	0.1
101.02367	0.1
108.15718	0.1
117.19934	0.1
146.43721	0.1
157.08614	0.2
171.10187	0.2
209.11746	0.2
211.13362	0.3
218.55727	0.1
244.88977	0.1
250.12494	0.1
253.09442	0.2
272.03232	0.2
291.19760	0.2
293.21329	0.3
309.20892	0.3
503.97485	0.1
507.90134	0.1
770.79498	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	829.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.5
61.98705	11.3
63.10613	0.6
69.03315	0.9
71.01252	4.6
71.51897	0.9
73.02855	0.8
75.00726	1.4
78.95789	0.8
83.01260	1.1
83.04879	1.1
85.02811	1.3
87.00764	1.2
88.98683	1.8
89.02319	2.7
97.06438	1.1
101.02328	4.3
112.99425	0.8
113.02301	2.4
115.22205	0.7
123.04387	1.2
125.09586	1.7
133.38889	0.7
137.09547	1.7
161.04555	1.2
163.11169	2.5
165.12770	1.2
171.10170	7.0
181.12241	1.0
183.13786	6.5
185.11810	3.2
191.14326	3.2
193.12286	1.8
193.57425	0.8
207.10197	1.4
209.11800	7.1
211.13338	100.0
212.13680	6.1
225.11284	1.1
235.08209	4.4
237.11333	1.4
245.19054	5.9
253.09232	8.8
263.20230	1.4
271.17139	0.8
277.21829	4.2
289.18106	26.4
290.18390	2.3
291.19702	0.9
307.19159	26.9
308.19498	1.9
315.25580	0.8
397.13666	1.8
447.22324	4.9
483.31094	1.0
501.32443	1.2
525.27319	0.9
543.28119	1.5
621.32874	3.4
682.73785	0.9
737.41528	1.4
748.75983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.0
61.98705	86.9
69.03314	5.7
71.01250	13.6
71.52111	4.6
71.52487	5.5
72.99181	14.7
75.00755	7.2
80.96385	6.6
83.01323	4.9
83.04864	4.9
85.02828	14.6
89.02294	6.9
97.02812	5.8
97.06428	4.7
99.00770	4.7
99.96914	4.1
101.02352	8.3
113.02333	7.2
116.92699	6.6
117.05428	4.3
167.10739	5.7
171.10204	47.1
188.04135	5.1
195.13792	16.9
197.11890	6.0
201.11359	6.2
205.12274	15.6
209.11888	21.5
211.13307	15.3
223.13358	100.0
224.13675	5.8
225.11313	6.2
235.08255	24.2
243.78592	5.9
247.56734	4.4
253.09274	37.8
291.19617	10.4
293.21240	13.4
309.20746	27.5
327.21814	77.8
328.21924	12.1
358.09415	4.4
449.07196	4.5
459.22125	15.0
545.30042	5.1
563.30621	10.2
600.92889	5.4
768.74603	5.8
769.43451	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	823.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.3
61.98705	1.3
69.03324	2.0
71.01249	8.5
71.04890	0.7
71.51592	0.8
71.51993	0.7
73.02814	1.1
77.80024	0.8
80.02525	1.1
81.03319	1.1
82.21395	0.7
83.04895	4.0
85.02868	0.6
93.03325	0.7
95.04914	2.6
97.06445	3.8
99.08041	0.7
107.04961	1.0
107.64812	0.7
111.08060	4.0
113.09621	4.6
115.07530	0.8
123.08106	1.2
125.05982	0.7
125.09598	1.1
127.11247	0.8
129.09064	1.4
135.08066	1.1
137.09593	0.9
139.11185	1.6
145.10095	1.0
147.11713	1.4
149.09598	0.7
151.03911	1.4
151.07544	2.9
151.11188	22.0
152.08353	1.5
152.11537	1.2
153.09085	1.0
153.12740	2.8
163.11209	3.2
165.12759	24.4
166.13005	0.7
167.10678	1.9
169.12233	0.9
171.10233	1.2
177.09042	0.8
179.10686	8.0
179.14420	0.8
181.12268	25.0
182.12634	1.5
191.10704	14.4
193.12268	0.8
195.10300	0.9
197.11723	2.9
209.11771	100.0
209.15294	3.5
210.12057	5.4
211.13338	4.7
212.13745	0.8
227.12883	4.9
247.20703	5.0
253.09274	2.5
263.20169	2.1
265.21741	3.5
266.22202	0.7
273.18512	0.8
277.18207	2.1
277.21741	10.5
278.22144	1.4
281.21295	4.1
291.19669	14.0
292.20050	2.5
293.21011	1.4
295.19000	4.6
309.17087	6.5
309.20651	50.9
309.74655	0.8
310.21051	5.6
531.27893	0.7
536.76422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	1.0
59.01252	11.4
68.99698	0.4
69.03330	2.5
69.37209	1.6
69.37608	0.9
71.01252	8.6
72.99154	0.6
73.02819	2.0
73.03150	0.3
77.85567	0.3
78.70004	0.4
83.01252	1.5
83.04892	0.8
85.02821	10.1
87.00750	1.3
89.02319	6.1
91.03906	0.9
95.01260	0.5
95.04878	0.9
97.02833	2.5
97.06458	3.4
99.00782	0.7
99.08023	0.4
101.02328	8.3
111.04398	0.5
111.08029	1.2
113.02326	4.8
119.03391	1.9
123.08075	0.5
125.02350	0.8
125.09602	1.4
127.11184	1.7
131.03358	0.6
133.04971	0.4
137.09637	3.0
143.03409	1.2
145.04933	0.6
155.10687	1.1
155.14307	0.5
158.21848	0.3
161.04434	3.7
163.11172	0.5
165.09091	0.4
165.12720	0.8
167.14400	0.5
169.12198	0.4
171.10184	29.0
171.64029	0.3
172.10547	1.4
174.73694	0.4
177.12732	1.3
179.05521	1.8
181.12289	0.5
183.13824	2.8
185.11809	0.8
193.12172	0.9
195.13853	1.8
196.14084	0.5
197.11765	3.2
199.13283	0.5
201.11217	1.5
203.10756	0.7
209.11775	1.8
211.13330	16.8
212.13646	1.2
221.11816	3.2
227.12831	1.0
229.14406	12.6
230.14742	0.8
233.22678	0.4
235.08199	10.6
236.08667	0.5
239.12837	2.1
247.20551	0.9
253.09264	33.3
254.09641	1.9
273.18481	0.4
275.20218	0.8
277.21716	87.1
278.22064	9.2
291.19672	7.8
291.22485	0.3
292.19888	1.0
293.21207	2.8
294.21573	1.2
295.22766	9.4
296.23071	1.0
309.20715	23.4
310.21005	3.0
311.22098	1.6
327.21759	100.0
328.18414	0.6
328.22122	8.5
398.54376	0.4
513.30627	0.4
545.29700	3.4
546.30219	0.6
563.30652	5.5
564.30328	0.7
587.43396	2.8
588.43402	1.1
823.49524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.9
59.84126	1.4
61.46957	1.2
61.98700	18.3
69.03325	2.3
69.26950	1.3
71.01254	93.8
71.51968	1.6
72.99180	44.0
73.02822	2.8
74.02351	1.7
78.95795	1.7
83.01266	1.9
85.02810	4.3
87.00739	2.7
89.02320	20.4
96.95895	6.8
97.02809	3.8
97.06483	1.9
101.02333	16.4
108.66553	1.6
113.02330	8.1
113.09612	2.0
114.93288	6.0
114.99480	2.6
115.00258	47.9
116.92743	5.9
119.03361	4.5
121.02843	1.3
124.69311	1.3
125.02299	3.7
133.01317	45.2
137.02321	1.8
139.11107	1.4
143.03441	1.9
161.04439	3.0
165.12721	2.8
166.14807	1.5
171.10104	1.9
175.02310	1.6
179.05605	1.8
181.12283	3.8
183.13829	1.6
193.12247	1.5
195.13824	2.3
211.13313	4.7
221.06657	2.9
235.08191	2.7
235.32355	1.5
247.20610	4.6
273.18732	3.2
281.21146	2.3
283.02423	7.9
291.19653	47.1
292.20026	6.0
309.20700	100.0
310.21100	11.6
397.13480	23.9
415.14532	22.6
661.46173	1.4
707.34900	69.1
708.35193	11.9
805.34930	13.5
806.35852	3.3
810.83569	1.8
823.35895	49.3
824.36432	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	823.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.3
59.01250	30.0
61.98703	21.5
69.03342	2.9
71.01256	83.3
71.52000	2.7
72.01583	2.0
72.99184	36.1
73.02829	9.8
75.00755	3.2
81.03279	2.4
83.01220	2.5
85.02834	4.8
87.00755	5.3
89.02317	20.7
94.83688	1.5
96.95913	2.5
97.02843	2.9
99.00105	1.8
99.00758	4.9
99.92474	3.7
101.02330	17.5
110.20446	1.7
111.08077	2.2
113.02323	10.6
114.93311	4.2
115.00261	25.2
116.91897	3.0
116.92742	62.9
117.01839	9.8
117.92776	3.7
119.03400	5.7
123.00829	1.8
124.52896	1.6
125.02345	4.3
133.01321	15.2
153.12872	2.1
155.10730	1.9
161.04462	3.8
167.10699	3.7
171.10208	4.5
179.05544	3.7
179.14340	2.1
193.13931	1.9
197.11794	5.2
207.13989	2.8
209.11748	2.5
211.13338	4.9
215.12923	2.0
219.23936	1.8
235.08241	4.8
247.20656	6.4
291.16705	3.3
291.19678	37.8
292.19894	3.3
309.20731	100.0
310.21097	9.2
329.23315	2.8
382.68970	1.8
397.13452	30.8
415.14514	24.6
707.34937	69.7
708.35382	14.2
805.35107	18.6
806.35785	3.5
823.36127	29.8
824.36694	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	823.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.8
61.98698	16.9
62.87334	1.3
69.03339	2.2
70.68269	1.3
71.01256	70.9
71.52228	2.0
72.01617	1.8
72.99181	29.6
73.02803	5.6
83.01270	1.8
85.02821	4.5
87.00758	5.1
89.02318	19.0
95.01250	1.9
97.02797	3.4
99.00772	2.2
99.92439	3.7
101.02319	15.1
101.06014	1.4
108.31760	1.7
109.02806	1.6
111.22973	1.7
113.02357	7.2
114.93287	3.8
115.00257	20.4
116.92746	63.1
117.01807	6.1
117.92725	4.0
119.03380	4.7
123.92107	1.6
125.02327	5.8
126.60806	1.5
133.01308	11.8
143.03302	2.2
153.12727	3.1
161.04489	2.4
167.10689	1.9
169.12234	2.4
171.10159	5.1
179.05495	4.2
179.14455	1.9
181.12263	2.5
197.11671	3.4
199.13199	2.2
199.53246	1.5
209.11722	3.2
211.13377	3.1
235.08189	3.9
247.20677	3.0
253.09286	1.5
276.94351	1.5
281.21219	2.5
291.19656	28.8
292.19949	1.8
305.09299	1.6
309.20718	100.0
310.21039	8.1
329.23254	2.7
396.11551	1.5
397.13489	30.6
398.13602	3.1
415.14517	21.4
416.14844	1.8
669.66376	1.7
707.34882	57.7
708.35193	14.1
805.34595	10.1
806.35461	1.9
823.36279	21.8
824.36462	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.00488	0.3
59.01249	4.8
61.19067	0.4
61.98702	12.7
67.01773	0.6
70.89315	0.7
71.01253	4.3
73.02831	0.5
80.96376	0.8
83.01224	0.5
83.04916	0.5
85.02827	1.3
85.96703	0.3
87.00742	0.8
89.02318	2.1
95.01286	0.4
97.06473	0.8
99.00793	0.4
101.02335	3.8
101.02936	0.5
111.08049	0.6
113.02322	1.8
119.03379	1.2
121.10127	2.2
125.09607	3.3
137.93582	0.4
141.01578	0.5
145.05025	0.5
147.08112	0.5
150.60146	0.4
161.04404	2.3
167.10709	0.7
167.14349	1.2
171.10184	6.2
179.05595	0.8
179.14212	0.6
181.12253	0.5
185.11737	3.8
195.13850	9.4
196.14401	1.0
197.11778	1.2
205.12262	0.8
209.11700	0.5
211.13336	66.1
212.13708	4.1
223.13347	5.6
225.00571	0.4
228.13658	0.8
235.08160	2.8
253.09264	20.4
254.09544	0.7
256.13062	0.9
265.21689	0.5
273.18607	0.9
275.20123	7.9
276.20593	0.8
277.21979	0.4
290.18726	0.5
291.19656	48.8
292.19974	5.3
293.21216	100.0
294.18225	0.7
294.21548	10.4
309.20703	4.5
310.20950	1.3
313.46912	0.3
447.22385	1.6
448.22678	0.4
450.50180	0.3
487.34290	1.0
527.28656	3.0
528.28937	0.8
529.30084	2.2
567.40253	0.7
740.48474	0.4
754.37695	0.5
803.48840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68454	0.1
59.01256	2.4
61.18726	0.1
70.48346	0.3
71.01266	0.6
73.02810	0.3
75.77648	0.1
83.01273	0.1
91.56281	0.1
95.80673	0.1
95.81477	0.1
98.19854	0.1
101.02312	0.3
121.02846	0.5
121.06455	0.1
122.03680	0.2
135.04332	0.1
147.04401	0.8
148.05205	95.7
149.05537	3.6
163.07559	100.0
164.07896	4.8
203.05563	0.4
283.02524	0.1
283.42365	0.1
284.16797	0.1
353.51935	0.1
367.13867	0.6
503.26559	0.1
660.50781	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.00460	0.4
58.86678	0.3
59.01247	4.9
60.35962	0.3
61.96977	0.2
61.98704	1.3
69.03327	1.3
69.39040	2.0
71.01251	5.1
73.02814	0.8
83.01242	0.5
83.04887	0.7
83.97876	0.3
85.02824	1.1
87.00744	1.0
89.02319	3.4
95.01273	0.6
95.04893	0.4
97.02826	2.8
97.06458	0.5
101.02325	4.9
109.06464	0.6
111.08040	6.3
113.02332	2.6
113.09614	0.4
119.03393	1.1
119.08490	0.2
121.10033	0.3
123.08098	0.4
125.09584	0.5
127.07521	0.6
131.03380	0.3
137.09651	0.6
141.09132	0.3
143.03412	0.5
151.11191	0.6
153.12773	0.4
155.14308	0.3
161.04477	2.6
163.11209	0.8
165.12733	2.1
167.10654	0.6
169.12268	2.6
171.10204	2.4
179.05507	0.7
179.14342	1.1
181.12224	1.4
183.13800	0.9
193.12332	0.5
195.13841	7.9
196.14432	0.9
197.11758	27.9
198.12137	1.7
199.13347	1.7
205.12259	0.7
205.15881	0.6
207.81633	0.3
209.11757	1.1
211.13327	5.2
212.13647	0.5
223.13350	6.6
224.13837	0.6
225.14844	0.5
227.12886	2.0
228.13499	0.5
231.21164	0.4
235.08177	2.1
247.20648	1.7
249.14708	0.3
253.09259	26.1
254.09576	1.5
256.13153	1.1
263.20288	1.6
265.18057	0.8
265.21646	0.4
273.18616	1.4
275.20135	6.0
276.20407	0.4
291.19656	23.0
292.19992	3.2
293.21213	100.0
294.21548	11.0
295.22595	0.3
309.20697	63.3
310.21021	6.9
367.58438	0.3
433.20874	0.5
492.21967	0.4
497.52731	0.3
518.75714	0.3
527.28400	0.3
529.30396	0.6
545.29370	1.5
585.41724	2.1
586.41791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.0
57.34366	0.5
59.01253	7.2
69.03345	1.4
71.00030	1.1
71.01253	6.0
73.02846	1.6
83.01293	1.0
83.04892	0.6
85.02859	2.0
87.00780	1.5
89.02309	3.7
97.06519	0.8
99.04395	0.7
101.02321	6.2
111.08083	1.1
113.02371	2.0
113.09634	2.1
115.07585	1.4
119.03394	1.4
127.07449	0.6
139.11153	0.7
141.09123	1.4
161.04482	2.3
161.48772	0.5
165.12708	2.8
167.10686	1.3
167.14323	1.4
179.05536	0.7
179.14359	1.1
181.12244	2.7
183.13831	0.8
193.12236	1.8
193.15935	0.9
195.13843	11.2
196.14359	1.1
205.12271	0.9
211.13336	2.9
221.15388	3.1
223.13347	6.0
231.20944	0.6
235.08188	3.7
240.13640	1.0
245.18881	0.6
247.20633	4.3
253.09277	18.3
265.21741	0.8
273.18597	2.5
275.20166	4.7
281.21143	1.6
291.19672	35.6
292.20004	2.9
293.21222	96.6
294.21579	7.9
309.20700	100.0
310.21094	8.4
311.22235	1.2
347.28931	0.6
364.26489	0.5
424.35864	0.6
480.72449	0.6
527.28497	3.5
529.30408	1.2
545.21741	1.2
545.29584	16.9
546.29822	2.0
585.41913	1.0
691.13123	0.6
752.43103	1.5
821.50671	8.7
822.50269	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.00482	0.4
59.01251	6.7
60.51379	0.3
61.98693	0.7
63.66969	0.4
69.03335	0.7
69.24890	3.3
71.01249	5.1
71.04904	0.4
72.99173	0.5
73.02823	1.0
73.45632	0.4
81.03338	0.6
82.37708	0.4
83.01259	0.4
83.04897	0.6
85.02821	1.5
87.00761	1.0
89.02317	4.4
95.04931	0.7
97.02841	1.7
97.06474	0.8
98.03596	0.4
101.02327	4.5
109.06499	0.8
111.08054	2.9
112.62657	0.4
113.02304	2.8
119.03394	0.7
123.08048	0.4
125.09598	1.1
127.07490	0.7
133.04840	0.4
147.28819	0.4
150.05711	0.4
151.11160	0.6
152.06999	0.4
153.12854	0.4
161.04480	2.8
162.10339	0.4
163.11159	2.4
165.12753	4.7
166.09903	0.4
167.10666	0.7
169.12288	0.8
171.10178	1.7
177.12796	0.7
179.05528	0.9
179.14349	2.0
181.12247	1.7
183.13840	0.8
193.12350	0.6
193.15927	1.2
195.13820	9.7
196.14377	0.9
197.11766	9.8
198.12215	0.8
199.13344	0.4
205.12297	0.9
205.15955	0.8
207.13881	0.5
209.11818	1.3
211.13277	3.0
223.13344	7.2
224.13925	0.8
227.12860	0.7
228.13576	0.7
229.04314	0.5
235.08203	1.9
247.20622	5.3
248.20990	0.6
253.09265	29.1
254.09679	1.5
256.13199	1.3
263.20087	0.9
265.21722	0.9
273.18719	2.0
275.20145	6.9
276.20441	0.6
291.19666	70.8
292.20016	7.2
293.21222	100.0
294.21567	10.2
294.24664	0.3
309.20706	99.5
310.21045	10.7
527.28607	1.2
529.30829	0.6
545.29785	1.5
570.98779	0.4
585.41528	2.0
586.42065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55349	1.4
58.97647	1.4
59.01254	9.5
61.46587	1.4
61.98709	21.6
63.63233	1.4
71.01261	6.5
72.99156	1.9
73.02795	2.2
74.76949	1.7
78.64346	1.5
78.95749	1.8
80.87884	1.4
80.96396	4.3
83.01260	2.0
85.02843	2.4
89.02320	6.0
92.45938	1.6
94.98012	1.8
101.02338	6.6
111.07999	2.7
113.02329	2.7
119.03374	1.6
119.08552	2.1
125.09438	2.0
141.09041	2.1
161.04475	3.8
165.12796	2.5
171.10213	4.7
181.12271	4.1
183.13890	3.8
185.11737	2.3
195.13914	8.0
197.11798	4.6
198.12231	2.3
211.13300	6.8
221.11687	2.3
222.52390	1.6
223.13336	4.4
228.21133	1.7
235.08197	5.0
237.50101	1.8
247.20654	5.0
253.09273	25.6
254.09570	2.0
273.18561	3.6
275.20142	8.7
277.21710	11.1
289.18082	5.4
291.19656	49.0
292.20035	11.2
293.21225	93.4
294.21683	7.6
307.19150	3.2
308.19339	2.6
309.20712	100.0
310.21005	10.5
311.22083	7.9
325.20126	4.7
367.41574	1.8
527.28619	3.0
545.29578	12.9
546.29926	2.4
585.41614	3.3
629.45929	2.1
734.03278	1.7
821.52502	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	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
58.00439	0.8
59.00961	0.4
59.01250	6.0
61.98693	0.5
69.03301	0.9
69.24971	0.5
69.25378	2.4
71.00897	0.4
71.01250	5.0
72.99143	0.4
73.02798	1.0
73.23486	0.3
83.01235	0.5
83.04877	0.5
85.02798	1.2
87.00732	1.0
89.02328	3.3
95.01251	0.3
95.04890	0.5
97.06452	0.4
98.20586	0.7
101.02322	4.9
111.07292	0.5
111.08041	7.6
113.02331	2.6
113.09613	0.5
119.03371	0.9
125.02318	0.4
127.07494	0.9
141.09116	0.4
143.03398	0.4
146.80663	0.4
151.11171	0.7
153.12770	0.7
161.04486	2.6
167.10689	0.7
169.12248	3.6
179.05548	1.0
179.10661	0.5
179.14267	0.8
181.12282	1.8
183.13808	0.7
193.12297	0.4
195.13855	8.7
196.14302	1.0
197.11765	36.8
198.12109	2.1
199.13322	2.2
205.12282	0.3
205.15907	0.4
211.13327	6.2
223.13333	5.6
225.14977	0.5
227.12830	0.6
228.13626	0.5
231.21091	0.5
233.88412	0.3
235.08195	2.3
247.20502	0.4
253.09254	31.2
254.09616	1.2
256.13290	1.4
263.20203	2.4
264.20456	0.4
265.18069	1.3
265.21793	0.5
273.18646	0.7
275.20154	5.2
276.20535	0.6
291.19669	13.2
292.20038	1.2
293.21213	100.0
294.21548	11.1
309.20700	56.4
310.21033	6.0
320.28552	0.4
452.37689	0.3
492.22107	0.5
527.28204	0.4
529.30121	1.1
545.29443	1.7
585.41565	2.8
586.42108	0.8
821.50830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
58.31831	0.7
69.47931	0.6
71.01239	0.7
71.07301	1.0
77.07969	0.7
77.49836	0.7
81.03328	10.9
83.01263	1.8
85.02818	1.1
93.03335	1.1
94.74144	0.7
95.04916	5.5
97.02842	3.2
99.04405	8.3
103.18571	0.7
111.04418	2.0
113.02380	0.8
117.03343	10.6
119.03933	0.7
121.02844	3.1
123.04385	5.2
125.02336	30.3
126.02667	1.2
135.04419	0.8
137.02385	4.3
139.03915	1.6
151.99680	0.7
161.02324	2.0
167.03415	100.0
168.03745	4.3
179.03439	2.4
193.01315	1.9
197.04485	22.4
198.04884	1.5
209.04480	1.5
235.02432	5.4
249.06229	1.0
265.03500	1.2
269.06644	1.2
287.07831	4.1
329.06674	53.9
330.07074	4.8
359.07736	7.4
371.09991	4.0
372.10101	0.8
431.09760	2.4
449.10895	20.0
450.11319	2.3
458.04114	0.7
586.01215	0.9
610.04370	0.7
633.01953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
61.97400	0.8
63.96092	1.9
66.03333	0.7
66.87115	0.7
67.22836	0.7
69.03301	1.3
69.84802	0.7
70.84103	2.0
71.01252	11.6
71.72591	0.7
73.02813	1.8
78.95770	3.4
78.98463	8.3
79.95601	15.9
80.96389	96.1
81.03322	1.2
81.95188	2.0
82.95975	8.1
82.96765	1.0
85.02820	3.6
87.00745	4.2
94.97961	23.2
96.95881	2.0
96.97534	1.4
97.02815	2.8
101.02294	2.9
106.97993	3.8
122.97470	3.9
125.02328	3.5
127.03912	1.8
134.97469	6.4
136.99025	2.2
148.99083	6.4
152.98492	7.9
164.98549	14.6
165.98758	0.8
168.00334	0.9
206.99599	2.9
225.00717	17.7
226.00989	1.3
227.00391	1.3
244.08954	0.8
255.23251	3.0
279.23206	2.0
281.24792	1.7
347.11804	0.9
563.28705	2.2
571.03937	0.9
685.67462	0.9
818.51953	0.8
819.52643	100.0
820.53162	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	819.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01250	8.8
59.01538	0.6
61.98703	8.5
69.03332	1.3
71.01249	6.7
71.01614	0.5
71.04874	0.4
72.99192	0.5
73.02830	1.2
78.95780	0.6
80.02536	0.4
81.03342	1.2
83.01270	1.4
83.04928	1.0
85.02808	2.0
87.00770	1.5
89.02325	3.7
91.03928	0.5
93.03347	0.4
95.01284	0.7
95.04903	2.0
97.02841	1.3
97.06476	3.7
101.02319	6.5
102.39292	0.3
109.06503	0.8
111.08043	1.6
113.02328	3.8
113.09637	0.5
119.02576	0.4
119.03393	1.1
119.08564	0.4
121.06488	0.6
123.04385	1.7
123.08046	1.4
125.02348	0.4
125.05986	0.4
125.09622	4.1
131.03403	0.5
135.08023	0.9
137.09633	1.8
141.09154	0.5
141.12794	0.8
142.02582	0.4
143.03424	0.5
145.05000	0.4
146.71664	0.4
149.05972	0.4
149.09695	0.5
161.04433	2.3
163.07613	0.4
163.11218	4.0
164.11609	0.4
165.12770	1.5
167.10663	1.2
171.10193	1.3
177.12791	1.1
179.05508	0.9
179.10751	0.8
179.14317	0.8
181.12204	1.6
185.11780	4.4
186.12152	0.5
191.10666	0.4
191.14345	6.2
193.12201	0.4
195.13831	9.9
196.14403	1.0
197.11830	0.8
198.98700	0.4
205.12291	0.7
207.10257	1.6
209.11769	10.8
210.12186	1.0
211.13339	2.3
217.16002	1.2
223.13347	6.1
225.11269	1.8
227.78009	0.3
229.71088	0.5
235.08221	3.5
237.11307	4.4
243.17522	0.4
245.19078	11.1
246.19342	0.6
247.20644	1.2
253.09259	25.3
254.09587	0.9
256.13107	1.5
256.30399	0.3
263.20135	4.0
264.20294	0.5
265.21643	0.6
271.17075	1.5
273.18698	0.7
275.20151	6.0
276.20438	0.4
277.21774	0.9
279.71414	0.4
281.21191	1.2
287.16605	0.4
289.18103	55.8
290.18433	5.3
291.19659	28.3
292.19977	2.6
293.21225	100.0
294.21533	9.4
305.17471	0.5
307.19147	53.9
308.19427	4.7
309.20712	15.8
310.21057	1.3
445.20804	0.4
525.27020	1.0
527.28607	2.6
539.40674	0.4
543.28143	1.1
545.29504	1.4
583.39771	1.2
750.42621	0.4
801.47870	0.8
819.49316	2.7
820.49304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01251	4.8
61.98704	10.1
63.59731	0.2
63.90768	0.2
69.03316	0.5
70.11083	0.5
70.11469	0.4
71.01253	4.0
71.04913	1.2
72.99185	0.3
73.02818	0.8
80.02534	0.6
80.96387	0.7
81.03327	0.9
81.85950	0.2
82.46275	0.2
83.01250	0.6
83.04897	0.8
85.02863	1.0
87.00741	0.6
89.02308	2.7
93.03325	0.3
95.01240	0.5
95.04893	1.0
97.02817	0.6
97.06466	0.6
98.03583	0.6
99.00733	0.2
101.02319	3.9
104.96301	0.2
106.04106	0.6
107.04904	0.2
109.06475	7.6
110.06804	0.3
111.00774	0.3
111.04407	2.2
111.08060	1.5
112.05177	0.2
113.02323	2.3
119.03386	0.9
121.06498	0.4
121.10110	0.5
123.08026	1.2
127.07543	1.1
131.03371	0.2
132.05725	0.2
135.08083	0.3
135.11690	0.2
137.05922	0.3
137.09608	0.6
139.07486	0.2
141.09108	0.3
143.03397	0.4
143.10645	0.8
145.04956	0.4
145.06479	1.5
149.06010	0.3
149.09615	0.9
151.11188	0.7
151.86143	0.3
153.09134	0.3
158.36768	0.2
161.04453	1.5
161.09550	0.2
163.11218	0.3
165.12746	0.5
167.10689	1.8
171.10188	0.9
177.12703	0.6
179.05540	0.7
179.10715	1.0
179.14334	0.6
181.12230	0.5
183.13719	0.3
185.21840	0.2
191.14305	0.5
195.13840	8.8
196.14272	0.6
205.12286	0.7
205.15862	0.3
211.13269	0.5
215.14331	0.4
223.13365	4.4
224.13780	0.3
225.14879	0.7
228.13678	0.5
231.21164	0.5
233.15480	0.3
235.08234	2.6
235.13350	0.6
236.08566	0.2
239.12773	0.3
245.19073	4.5
245.21600	0.2
246.19389	0.2
247.20761	0.3
249.22284	0.2
251.16484	0.4
253.09248	16.0
254.09552	0.6
256.13092	1.0
259.13513	0.2
261.18549	0.2
263.20111	0.3
265.21814	0.4
271.16977	1.3
273.14975	0.6
273.18408	0.4
275.20145	5.1
276.20572	0.4
287.16550	1.7
288.17041	0.3
289.18094	100.0
290.18457	9.1
291.19693	3.0
292.19943	0.5
293.21216	71.9
294.21561	6.4
307.19153	4.8
307.28882	0.2
308.19424	0.3
309.20660	1.1
423.79581	0.2
439.62222	0.2
492.22244	0.3
525.27020	3.3
526.27252	0.6
529.30267	0.5
565.38812	0.6
750.42645	0.2
777.86462	0.2
801.48578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	0.3
59.01254	6.9
67.01777	0.5
68.70971	0.3
69.80899	1.8
69.85874	0.3
71.01250	1.2
72.99229	0.3
79.05388	0.6
85.02779	0.3
89.02323	1.3
95.04919	0.6
96.95883	0.6
101.02338	1.0
106.06516	0.3
108.04444	0.7
109.02856	0.4
113.02351	0.7
119.03377	0.4
120.01227	0.4
120.04424	2.5
121.05219	2.2
122.05999	5.5
127.72280	0.3
134.06020	2.9
135.06793	1.3
136.07576	11.2
137.07893	0.6
146.05981	0.6
148.07600	0.3
152.66449	0.3
158.02402	1.0
160.04019	0.3
161.07100	0.9
162.05502	0.5
165.01929	0.4
165.05550	0.4
167.03387	0.4
171.11725	2.0
181.05049	0.6
186.09142	0.8
189.10254	0.5
190.05013	5.2
198.09155	1.8
199.09938	1.9
214.07462	0.5
214.12318	12.8
215.12674	0.6
225.06647	0.4
226.07399	0.6
227.08269	1.9
228.08960	0.7
229.09776	4.9
230.09872	0.3
230.11856	4.4
231.12086	0.6
239.11909	0.7
241.09793	8.1
242.10561	15.7
243.10887	1.3
256.12057	0.7
257.12927	82.6
258.13242	6.1
268.07449	0.5
274.09430	0.4
283.02435	0.4
283.10800	0.9
300.11057	0.5
301.11917	100.0
302.12225	9.4
308.06906	0.5
309.07764	0.5
311.09247	0.5
312.06573	0.5
323.09225	1.0
324.06232	0.4
324.09848	0.7
327.08752	1.6
337.11816	1.7
338.11966	0.8
339.08667	2.7
339.12369	0.8
342.11075	2.3
354.11017	1.5
357.09464	0.4
357.13498	6.2
358.13687	0.6
369.13385	8.0
370.13669	1.1
387.14548	0.4
517.18243	20.3
518.18622	3.3
597.23431	5.4
598.23767	1.3
715.26343	0.5
775.31476	0.5
787.28729	0.7
819.31348	3.1
820.32007	1.1
852.94739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	0.3
59.01254	6.9
67.01777	0.5
68.70971	0.3
69.80899	1.8
69.85874	0.3
71.01250	1.2
72.99229	0.3
79.05388	0.6
85.02779	0.3
89.02323	1.3
95.04919	0.6
96.95883	0.6
101.02338	1.0
106.06516	0.3
108.04444	0.7
109.02856	0.4
113.02351	0.7
119.03377	0.4
120.01227	0.4
120.04424	2.5
121.05219	2.2
122.05999	5.5
127.72280	0.3
134.06020	2.9
135.06793	1.3
136.07576	11.2
137.07893	0.6
146.05981	0.6
148.07600	0.3
152.66449	0.3
158.02402	1.0
160.04019	0.3
161.07100	0.9
162.05502	0.5
165.01929	0.4
165.05550	0.4
167.03387	0.4
171.11725	2.0
181.05049	0.6
186.09142	0.8
189.10254	0.5
190.05013	5.2
198.09155	1.8
199.09938	1.9
214.07462	0.5
214.12318	12.8
215.12674	0.6
225.06647	0.4
226.07399	0.6
227.08269	1.9
228.08960	0.7
229.09776	4.9
230.09872	0.3
230.11856	4.4
231.12086	0.6
239.11909	0.7
241.09793	8.1
242.10561	15.7
243.10887	1.3
256.12057	0.7
257.12927	82.6
258.13242	6.1
268.07449	0.5
274.09430	0.4
283.02435	0.4
283.10800	0.9
300.11057	0.5
301.11917	100.0
302.12225	9.4
308.06906	0.5
309.07764	0.5
311.09247	0.5
312.06573	0.5
323.09225	1.0
324.06232	0.4
324.09848	0.7
327.08752	1.6
337.11816	1.7
338.11966	0.8
339.08667	2.7
339.12369	0.8
342.11075	2.3
354.11017	1.5
357.09464	0.4
357.13498	6.2
358.13687	0.6
369.13385	8.0
370.13669	1.1
387.14548	0.4
517.18243	20.3
518.18622	3.3
597.23431	5.4
598.23767	1.3
715.26343	0.5
775.31476	0.5
787.28729	0.7
819.31348	3.1
820.32007	1.1
852.94739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.2
61.98704	100.0
62.98417	0.2
71.01267	0.3
75.00734	0.1
80.96393	0.5
89.02318	0.2
94.97986	0.1
98.19756	0.3
101.02325	0.2
113.02372	0.2
121.02858	0.2
125.09734	0.1
161.04514	0.2
165.03908	0.1
171.10170	0.5
185.11780	0.4
195.13918	0.1
197.11789	0.1
209.11777	0.2
211.13385	0.4
212.13718	0.2
223.13431	0.1
231.47552	0.1
233.15503	0.1
235.13524	0.1
253.09322	0.6
275.20114	0.1
289.18143	0.9
290.18625	0.2
291.19672	1.4
292.19995	0.6
293.21213	1.6
294.21524	0.2
307.19202	0.7
307.22446	0.1
308.19537	0.2
309.20709	0.3
401.57819	0.1
490.32819	0.1
527.11304	0.1
654.75079	0.1
801.49109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
59.03910	0.3
61.98696	1.4
67.64062	0.3
70.65907	0.4
70.66248	0.8
71.01252	0.9
80.93664	0.4
80.96367	0.4
87.91431	0.3
89.02303	0.6
91.50147	0.3
96.95870	0.7
101.98456	0.3
109.02872	0.8
109.87785	0.3
121.02718	0.4
148.01508	0.4
149.02310	0.9
165.05472	0.6
167.03508	0.5
175.00249	0.4
179.03407	0.5
183.04445	1.6
195.06618	0.4
199.03940	0.8
209.08023	0.4
209.11559	0.3
211.03891	2.5
227.03453	6.0
237.01999	0.5
238.02803	0.4
239.03438	1.3
243.02921	0.6
249.11235	0.4
252.04266	0.4
253.01314	0.4
254.02101	1.0
255.02977	8.4
256.03311	0.6
258.01697	1.2
259.02466	1.8
260.02655	0.5
266.02182	0.9
267.02884	1.0
271.02478	3.6
272.03198	5.0
273.03662	1.2
281.04575	0.7
282.01752	1.4
283.02472	100.0
284.02777	7.5
285.03925	2.1
295.02396	0.5
296.03162	1.5
297.04156	1.9
298.01208	0.6
299.01871	0.5
301.03571	3.7
302.03799	1.8
303.04099	0.9
306.07767	0.5
311.02130	0.6
313.03577	1.4
325.03580	7.4
326.03857	0.8
330.03369	0.4
331.04596	0.6
342.54608	0.4
355.04660	1.5
357.13162	0.5
385.05725	0.6
403.06720	10.9
404.07071	1.4
404.26993	0.4
491.20929	0.9
519.20313	0.6
535.19495	0.6
539.95026	0.5
548.13202	0.4
549.21454	0.6
639.24292	1.0
655.23993	9.2
655.40472	0.6
656.24408	1.9
697.24908	2.4
757.25177	0.4
817.29211	31.0
818.29449	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	816.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98703	100.0
69.03307	0.1
70.22382	0.1
71.01266	0.6
71.52393	0.2
72.99188	0.2
75.00769	0.2
78.98463	0.2
79.95614	0.3
80.96394	2.2
81.03312	0.1
85.02823	0.2
87.00758	0.3
88.98696	0.3
89.02336	0.3
94.97987	0.5
97.02847	0.2
97.84421	0.1
101.02375	0.3
103.00298	0.1
109.06499	0.2
136.99062	0.1
148.99060	0.2
152.98523	0.2
164.98531	0.3
171.10193	0.4
171.31119	0.2
183.13837	0.2
207.10283	0.6
209.11766	0.3
211.13388	1.1
213.14937	0.2
223.13489	0.4
224.13725	0.2
225.00783	0.4
225.11310	0.3
227.12852	0.2
253.09416	0.3
286.23926	1.1
291.19812	0.3
293.21478	0.2
309.20807	0.4
310.21390	0.3
327.21704	0.3
397.13626	0.3
406.92526	0.1
799.38055	0.4
815.50171	0.4
816.50366	1.6
817.38049	0.4
817.51410	0.4
836.76855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
61.98706	1.7
70.26498	0.5
70.26861	1.4
71.01266	1.3
89.02326	0.8
91.33192	0.5
95.01273	0.5
96.95912	0.5
108.02078	1.4
109.02844	1.4
113.02328	0.7
137.02412	0.7
163.00323	0.6
165.01781	0.6
168.77679	0.4
175.02486	0.5
181.04910	0.6
187.03906	0.5
188.04652	0.7
191.03464	0.4
209.11812	1.1
215.03419	1.4
216.04141	0.5
227.03404	2.5
229.01361	0.6
229.04990	0.5
242.02055	0.6
243.02946	4.8
244.03757	2.8
255.03030	1.9
258.01678	11.6
259.00345	0.3
259.02448	18.2
260.02814	1.9
271.02490	35.3
272.03262	100.0
273.03714	9.7
283.02591	3.0
284.03262	0.7
285.00397	3.2
285.04031	4.2
286.01025	0.5
286.04697	1.3
287.01993	13.7
288.02289	1.0
297.04181	1.0
298.01212	1.2
299.02063	4.8
300.02853	2.2
301.03540	48.0
302.03784	3.0
304.02310	5.1
311.01849	0.7
313.03455	4.4
315.04950	1.1
330.03870	1.4
331.04587	24.1
332.05026	1.9
343.04562	1.5
373.05734	0.8
390.33340	0.5
390.84555	0.4
403.06708	1.8
421.07764	47.2
422.08209	4.6
463.08960	0.6
601.40350	0.5
659.88422	0.5
697.24945	12.1
698.25269	1.7
727.25983	3.0
728.26056	0.7
817.29169	38.8
818.29395	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	816.403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
61.98704	100.0
62.98421	0.2
69.18617	0.6
69.19041	0.3
71.01253	0.3
78.95819	0.2
79.95600	0.2
80.09819	0.1
80.96380	0.7
87.00770	0.1
88.98718	0.1
93.70081	0.1
94.98002	0.1
98.19740	0.2
101.02325	0.2
116.92754	0.2
126.70277	0.1
127.02947	0.1
131.52116	0.1
168.50882	0.1
185.11757	0.2
197.11815	0.4
199.13408	0.3
209.11775	0.3
211.13376	0.2
225.00688	0.2
227.12932	0.4
253.09282	0.2
291.19800	0.4
309.20676	0.6
310.21292	0.2
311.22589	0.1
411.17252	0.1
448.66638	0.1
553.80481	0.1
816.49347	0.4
817.37543	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
59.01249	0.4
61.98703	100.0
62.98397	0.2
65.38110	0.1
68.57421	0.1
70.16488	0.1
71.01257	0.3
71.07507	0.1
71.07835	0.1
79.95634	0.1
80.96388	0.6
82.90956	0.1
83.04866	0.1
87.00766	0.2
89.02317	0.2
94.97962	0.1
101.02351	0.2
113.01489	0.1
113.02304	0.1
119.86494	0.1
169.12254	0.2
171.10281	0.2
181.12582	0.1
183.13907	0.1
185.11732	0.1
197.11824	0.2
199.13370	0.5
200.52788	0.1
207.10295	0.3
209.11841	0.3
211.13315	0.5
212.13705	0.2
223.13393	0.2
224.13850	0.1
227.12827	0.4
228.13345	0.2
235.08287	0.1
253.09326	0.2
291.19849	0.3
292.20184	0.2
307.19418	0.2
309.20642	0.5
310.21136	0.2
320.62000	0.1
397.13681	0.1
411.51721	0.1
456.82443	0.1
651.16730	0.1
733.13043	0.1
735.40051	0.3
799.37750	0.1
816.50311	0.3
817.37799	0.2
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
59.01249	0.4
61.98704	100.0
62.98405	0.2
71.01276	0.6
71.52184	0.3
72.99168	0.2
73.52374	0.2
74.22672	0.1
75.00749	0.2
78.98479	0.2
79.95630	0.4
80.96395	1.8
86.49345	0.1
88.98665	0.2
89.02336	0.2
94.97986	0.3
95.36197	0.1
96.95898	0.2
97.02798	0.2
101.02322	0.4
104.84564	0.2
109.06457	0.2
116.87324	0.2
116.92774	0.3
128.19977	0.2
169.12343	0.2
171.10210	0.8
185.11783	0.2
197.11807	0.6
199.13443	0.5
200.13660	0.2
209.11794	1.3
210.12204	0.5
211.13344	0.3
226.11578	0.2
227.12936	0.5
228.13087	0.2
235.08276	0.2
253.09352	0.4
254.09651	0.2
291.19574	0.9
292.20059	0.5
309.20810	1.6
310.21161	0.8
311.22171	0.3
646.26318	0.2
816.50177	0.7
817.37640	0.5
817.51349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98704	100.0
62.98405	0.2
71.01276	0.6
71.52184	0.3
72.99168	0.2
73.52374	0.2
74.22672	0.1
75.00749	0.2
78.98479	0.2
79.95630	0.4
80.96395	1.8
86.49345	0.1
88.98665	0.2
89.02336	0.2
94.97986	0.3
95.36197	0.1
96.95898	0.2
97.02798	0.2
101.02322	0.4
104.84564	0.2
109.06457	0.2
116.87324	0.2
116.92774	0.3
128.19977	0.2
169.12343	0.2
171.10210	0.8
185.11783	0.2
197.11807	0.6
199.13443	0.5
200.13660	0.2
209.11794	1.3
210.12204	0.5
211.13344	0.3
226.11578	0.2
227.12936	0.5
228.13087	0.2
235.08276	0.2
253.09352	0.4
254.09651	0.2
291.19574	0.9
292.20059	0.5
309.20810	1.6
310.21161	0.8
311.22171	0.3
646.26318	0.2
816.50177	0.7
817.37640	0.5
817.51349	0.3
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
57.03312	0.2
59.01250	0.5
63.96115	1.3
69.03333	0.7
71.01257	6.3
71.01659	0.3
73.02833	1.3
73.24972	0.1
78.98463	5.5
79.30019	0.2
79.95605	9.2
80.96391	63.2
81.03328	0.7
81.96332	0.2
82.06259	0.2
82.95975	0.2
85.02824	2.5
87.00757	2.5
87.04362	0.2
89.39931	0.2
94.97960	14.3
95.01271	0.3
96.95870	1.1
97.02817	1.4
98.20608	0.3
99.00748	0.5
99.04403	0.3
101.02307	2.2
101.02928	0.2
106.97972	2.7
113.02325	0.4
122.97461	2.9
125.02329	2.9
127.03897	1.2
134.97475	5.1
136.99037	1.5
141.01636	0.2
146.97433	0.3
148.99046	6.4
152.98540	7.1
161.04466	0.2
164.98549	12.3
165.98865	0.4
167.00127	0.5
179.00102	0.2
188.98616	0.4
206.99620	2.9
212.94960	0.2
225.00693	19.3
226.01047	0.5
255.23221	1.8
256.23489	0.3
277.21704	1.3
283.05057	0.5
327.13708	0.1
329.71109	0.2
436.98819	0.2
478.07523	0.2
537.19897	0.2
537.27490	1.4
537.68890	0.2
559.25934	1.9
560.26202	0.3
662.75940	0.2
815.49817	100.0
816.50153	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	815.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.1
61.98378	1.1
61.98705	22.2
65.94633	0.4
66.57331	0.5
69.03313	0.5
70.47192	0.5
71.01254	3.3
72.99184	0.7
73.02840	0.6
75.00752	1.6
79.88464	0.5
80.96400	0.9
84.42820	0.5
85.02804	0.6
87.00759	0.7
89.02327	2.2
95.01289	0.6
98.19740	1.1
101.02330	2.8
113.02337	0.6
117.07015	1.5
119.03371	0.8
145.54973	0.7
147.28819	0.5
158.30515	0.5
161.04433	2.1
183.13837	5.3
184.14153	0.7
193.04764	0.5
193.12302	1.3
195.13840	4.7
199.13498	0.5
207.55940	0.5
211.13342	100.0
212.13705	7.0
223.13423	3.6
235.08261	4.1
253.09285	12.4
275.20203	3.9
277.21695	1.1
291.19757	0.8
293.21234	62.8
294.21527	6.6
397.13327	0.8
447.22318	10.9
448.22702	0.9
487.34265	0.9
511.29349	0.6
529.30078	2.2
723.42773	1.0
815.46869	2.1
816.47333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68652	0.4
59.01254	1.1
61.98714	1.1
69.64265	2.2
71.01280	0.6
73.65944	0.3
76.72028	0.3
79.00546	0.4
80.96407	0.5
83.01218	0.4
85.02860	0.3
88.98677	0.8
95.01318	0.4
108.02052	0.7
109.02839	2.4
125.02348	0.3
135.00728	0.4
137.02286	0.4
149.02307	0.5
163.00250	0.8
165.01840	0.7
185.05962	0.5
190.99806	0.4
191.03410	0.4
192.00478	0.4
199.03841	0.5
201.05525	0.6
215.03423	1.9
217.01389	0.7
227.03473	1.2
229.01332	0.6
229.04973	0.9
230.02301	0.5
243.03006	2.8
244.03703	1.1
245.04451	0.9
255.02974	1.5
257.04535	0.6
258.01682	19.0
259.02444	17.6
260.02759	1.0
269.04559	0.5
270.01730	0.6
271.02472	21.6
272.03244	30.0
273.03967	7.2
283.02487	3.1
284.03189	0.5
285.04001	6.5
286.04605	0.8
287.01874	1.0
297.03995	0.9
298.01157	1.3
299.02011	1.7
300.02515	0.5
301.03525	100.0
302.03867	8.0
304.02353	0.8
311.02032	1.5
313.03580	3.0
315.05045	0.7
325.03482	0.4
329.03003	0.6
331.04568	29.0
332.05045	1.8
340.16748	0.4
343.04526	1.9
367.04663	0.8
385.05725	2.7
403.06699	10.0
404.07053	0.9
653.18982	1.5
713.21002	0.7
755.21777	0.4
797.24304	0.7
815.23999	36.0
816.24390	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	814.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.1
61.98703	100.0
62.98403	0.2
70.03646	0.3
70.03990	0.1
71.01263	0.1
75.00745	0.1
80.96394	0.1
117.93459	0.1
137.40527	0.1
177.55327	0.1
211.13414	0.2
291.19888	0.1
291.31757	0.1
293.21381	0.1
472.89520	0.1
608.38672	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	815.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
69.59955	0.4
71.01266	0.5
80.96368	0.4
88.98665	1.2
93.03288	0.4
98.20545	1.1
108.02110	0.6
109.02841	2.4
125.02367	0.5
127.28055	0.4
136.27719	0.4
151.00230	0.6
161.02251	0.3
163.00279	1.1
168.80891	0.4
170.14900	0.4
183.04564	0.4
187.03784	0.5
190.99829	0.7
192.24039	0.4
194.35432	0.3
215.03444	1.2
227.03381	1.1
229.05008	0.7
230.02139	0.7
243.02980	2.3
244.03638	0.9
255.02982	1.3
258.01682	17.4
259.02435	15.6
260.02832	1.1
269.04315	0.4
271.02475	20.9
272.03241	28.2
273.03912	7.5
274.04431	0.4
283.02417	4.1
285.00818	0.5
285.04004	5.2
286.04553	0.5
287.01932	0.9
297.04044	0.5
298.01111	1.6
298.04276	0.5
299.02005	2.3
300.02713	0.5
301.03525	100.0
302.03836	7.4
304.02277	0.7
311.01865	1.1
313.03568	3.1
315.05011	0.7
325.03488	0.7
331.04596	25.7
332.04938	2.5
343.04529	1.8
361.05630	0.7
367.04593	1.1
385.05463	3.2
386.06070	0.5
403.06729	11.1
404.07028	0.8
483.37265	0.4
591.90192	0.4
653.18378	1.4
654.19360	0.5
713.20599	0.8
797.23126	1.1
815.24023	32.5
816.24292	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	812.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
61.98703	100.0
71.01285	0.3
71.51707	0.2
87.00774	0.3
88.98695	0.2
98.54884	0.2
101.96307	0.2
116.52320	0.2
125.09681	0.2
202.41376	0.2
209.11867	0.5
223.13364	0.6
224.13893	0.3
225.27179	0.2
240.01797	0.1
253.09386	0.2
277.21790	0.4
283.19400	0.2
289.18167	0.2
291.19815	0.2
309.20499	0.3
408.76480	0.2
666.19904	0.2
732.88373	0.2
749.42883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.9
61.98704	22.8
69.80643	8.7
71.01255	8.4
71.37743	1.4
72.99200	3.2
75.00737	2.9
80.96395	5.5
83.04878	2.7
85.02805	2.8
87.00738	3.4
88.98670	4.1
89.02351	2.5
95.01258	2.4
97.02848	13.1
97.06458	2.2
99.00753	12.5
101.02330	6.1
111.08025	4.3
113.02287	4.1
115.41076	1.7
125.09595	7.4
137.09631	3.1
143.03339	1.7
161.04459	3.3
163.11191	11.4
164.11545	2.1
165.12708	4.6
169.12259	4.1
171.10129	7.9
173.70193	1.8
179.10732	2.6
181.12234	15.4
185.11743	3.8
197.11752	15.9
199.13318	6.6
207.10207	52.4
209.11804	8.6
211.13326	5.6
223.09639	3.7
223.13371	3.6
225.11272	100.0
226.11607	5.9
227.12784	9.2
235.08253	3.2
243.12379	12.1
247.20607	4.0
253.09209	11.3
289.18079	5.8
291.19638	30.4
292.20285	2.0
293.21222	6.5
294.21552	1.8
307.19046	5.4
309.20685	63.5
310.21045	5.7
443.19128	3.7
445.20844	1.8
461.20218	29.5
462.20758	2.6
517.31390	2.2
535.33588	2.2
545.29419	2.2
735.39172	3.5
753.40582	49.4
754.41071	14.9
813.37018	4.1
814.37970	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	812.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53061	0.1
59.01258	0.2
61.98702	100.0
62.98415	0.2
71.01245	0.2
72.99192	0.1
75.00751	0.4
87.00764	0.2
93.03338	0.5
99.60538	0.1
111.54030	0.1
115.00240	0.2
135.02910	0.4
137.02324	0.6
166.10742	0.1
171.10068	0.1
174.86957	0.1
175.02467	0.3
178.17761	0.1
209.11836	0.2
223.13495	0.2
224.13818	0.2
238.22389	0.1
258.91934	0.1
260.39124	0.1
290.18683	0.1
307.19308	0.1
309.20746	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	809.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01252	1.3
65.45148	0.1
71.01241	0.2
75.00298	0.1
83.04874	0.2
91.76427	0.1
97.06480	0.2
99.08022	0.2
113.09604	1.4
160.71205	0.1
169.12263	0.2
177.12750	0.3
179.14331	0.8
181.12238	0.4
195.13834	13.4
196.14224	0.8
209.99590	0.1
223.13405	0.3
233.22736	0.2
251.23630	0.4
253.09303	0.6
259.20831	0.2
273.16711	0.1
277.21713	15.0
278.22046	1.3
289.17966	0.2
293.20963	0.2
295.22769	100.0
296.23108	10.4
586.61371	0.2
802.20221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
59.00957	0.9
59.01249	12.1
61.98689	2.7
66.18613	0.6
69.03336	2.8
70.17245	0.6
71.01261	4.8
71.04888	1.2
72.99188	0.7
73.02831	1.4
81.03360	0.6
82.32227	0.5
83.04903	0.9
83.93310	0.6
83.93843	0.7
85.02828	1.5
87.00735	1.0
89.02317	3.0
93.15498	0.6
95.04869	0.7
97.02809	1.9
97.06500	0.7
98.20609	1.1
101.02333	4.4
109.06477	1.0
111.08019	4.0
113.02325	2.2
115.26403	0.6
119.03413	1.1
125.09652	1.3
129.89830	0.7
134.17059	0.6
141.16028	0.6
145.04965	1.1
149.09669	0.6
150.97537	0.6
151.11150	0.7
161.04454	2.0
163.11220	1.1
165.12773	1.7
167.10672	2.6
169.12280	1.8
171.10130	1.3
179.05502	1.0
179.10739	1.6
179.14342	3.6
181.12268	1.1
191.14479	0.6
195.13811	9.2
197.11772	17.8
198.12125	1.6
199.13268	1.0
205.12267	9.6
207.10136	0.8
209.11711	1.3
209.26985	0.7
211.13356	3.9
223.13353	100.0
224.13683	7.6
227.12918	1.3
235.08191	5.1
247.20781	0.7
253.09273	14.7
254.09613	0.8
259.05563	0.8
263.20032	1.0
265.18161	0.7
273.18536	0.8
283.18900	0.8
291.16324	1.0
291.19675	22.0
292.19946	2.2
309.20718	48.6
310.21130	5.2
425.81674	0.7
441.21738	1.2
459.22366	14.0
460.22644	2.1
503.53671	0.7
515.33826	1.7
527.28748	1.2
545.29724	2.0
751.42511	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	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01242	0.6
69.03339	0.3
70.08344	0.5
70.08736	0.5
71.01249	0.6
72.99174	1.2
89.02350	0.2
91.37830	0.3
97.06461	0.6
101.02334	0.3
123.08051	0.3
125.09609	2.3
141.12778	0.6
149.09599	1.3
183.13843	0.7
185.11752	6.2
186.12039	0.5
195.13705	0.3
197.11726	1.6
209.11781	0.3
223.13336	0.5
234.28052	0.2
249.22191	0.8
252.00449	0.2
253.09357	1.3
275.20123	1.0
279.23276	6.1
280.23511	0.5
287.13818	0.2
293.21213	100.0
294.21552	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	809.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.1
59.01246	39.1
61.02808	5.8
61.98702	12.4
63.04630	1.9
65.70171	2.0
69.03318	5.1
71.01250	20.5
71.51848	3.4
72.99177	13.0
75.00735	3.5
75.67966	2.2
85.02828	2.7
87.00742	5.4
87.04388	9.6
89.02326	5.6
101.02341	2.6
105.01812	7.5
109.06467	6.5
111.04371	2.9
113.02361	3.7
115.00253	10.1
119.03365	2.5
127.07486	2.7
131.03384	6.0
133.01315	37.9
133.04955	71.2
134.05290	2.1
145.04903	2.2
161.04474	3.8
167.10718	5.5
171.10211	2.6
179.14371	3.7
181.91321	2.4
195.13776	11.3
205.12286	13.5
209.11829	3.2
211.13403	2.4
217.35551	2.1
223.13342	97.5
224.13641	8.6
235.08159	6.6
245.19179	4.1
253.09270	12.5
263.16641	2.4
289.18109	100.0
290.18378	9.1
291.19522	2.6
307.19083	8.4
309.20700	6.4
338.92285	2.6
363.64642	2.3
397.13229	2.8
459.22165	13.1
479.33722	2.5
525.27057	3.9
527.28772	2.7
637.26514	2.7
809.42572	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	809.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.1
59.01253	26.1
61.98704	2.5
65.40790	0.7
69.03321	2.7
69.36189	0.7
69.80147	3.7
71.01254	8.2
71.04884	1.0
72.99126	1.0
73.02815	1.5
81.03315	1.7
83.01263	2.0
83.04917	1.6
85.02822	1.6
87.00774	1.5
89.02327	3.9
93.92584	0.8
95.04877	1.5
95.63930	0.8
97.02834	1.3
97.06474	3.2
101.02314	5.0
104.30009	0.7
109.06502	1.1
113.02331	2.4
116.92744	1.3
119.03391	1.2
123.04402	2.2
123.08022	1.7
125.09608	5.5
135.08003	0.8
137.09622	2.4
149.09599	0.9
161.04478	2.8
161.09677	0.9
163.11247	3.8
165.12753	1.6
167.10670	4.0
169.85449	0.8
177.12801	1.7
179.05518	1.2
179.10635	1.9
179.14351	3.8
181.12317	0.9
185.11778	5.6
191.14326	5.1
195.13824	11.2
205.12282	10.1
207.10210	2.8
209.11783	14.8
210.12099	1.1
211.13373	0.9
217.15976	1.1
217.58856	0.8
219.13777	0.8
223.13358	100.0
224.13655	5.5
225.11282	2.2
235.08235	4.1
237.11253	1.8
243.17657	0.9
245.15451	1.0
245.19118	10.7
253.09286	14.4
254.09668	0.9
263.20206	3.2
267.16672	0.8
268.10461	0.9
271.16986	1.8
289.18109	49.4
290.18527	5.0
307.19165	44.6
308.19440	4.1
309.20844	1.8
397.23956	1.7
415.25110	1.6
459.22406	5.7
460.22888	1.1
495.31366	2.0
513.32178	2.0
514.33295	1.0
525.27075	1.2
543.28284	1.5
633.32788	7.3
634.33496	0.9
651.34259	2.9
713.39355	2.1
731.40106	1.9
749.41699	2.1
750.41235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.5
59.01247	5.5
61.98686	0.7
69.03323	0.4
69.81166	2.1
71.01251	5.6
73.02830	0.9
75.79509	0.4
80.77609	0.4
80.96394	0.8
81.35480	0.4
83.01276	0.6
85.02808	1.4
87.00732	1.0
89.02318	3.7
97.06528	0.4
101.02324	4.8
101.90063	0.4
113.02345	2.5
113.09608	1.6
119.03379	0.9
125.02361	1.0
143.03397	0.8
161.04427	2.0
162.60486	0.4
171.10204	5.9
179.05501	1.2
179.10841	0.4
179.14360	1.2
192.25774	0.4
195.13835	19.2
196.14262	1.1
223.13379	4.8
224.13800	0.5
225.00726	0.6
228.13504	1.1
235.08139	1.6
253.09242	25.7
254.09669	1.1
255.23262	4.8
256.13144	0.9
275.20139	4.3
277.21719	14.7
278.21967	1.2
293.21210	76.2
294.21536	5.0
295.22763	100.0
296.23105	8.0
379.12439	0.7
397.13388	2.3
461.54663	0.4
472.66907	0.4
529.29926	1.2
531.31433	0.9
571.43665	3.9
572.44189	0.8
807.42804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.0
59.01252	16.8
61.98701	17.4
67.01749	1.0
69.81269	4.4
71.01252	14.7
72.99179	1.9
85.02836	3.8
87.00755	1.9
89.02317	19.6
93.03360	1.6
101.02318	8.1
105.03329	4.5
108.02032	1.1
109.02870	1.4
112.51553	1.1
113.02346	4.9
119.03387	8.7
127.93933	0.9
131.03416	1.9
133.02791	1.1
133.41200	0.9
137.02351	13.4
143.03418	2.5
145.02768	1.1
148.01605	1.1
150.03123	2.2
151.03915	15.0
152.01132	1.2
161.02356	48.1
161.04343	6.1
162.02760	1.8
164.00970	1.2
165.01837	83.8
166.02281	2.9
175.03792	1.0
176.03294	1.9
176.04700	23.5
177.01875	2.0
177.05449	1.6
179.03423	100.0
179.05482	8.6
180.04196	46.5
181.04652	2.8
191.07042	8.8
194.05777	66.4
195.02936	2.5
195.06549	56.2
196.06914	2.2
207.06490	1.5
209.08139	91.7
210.05328	8.9
210.08450	5.0
211.94954	1.0
225.07642	70.4
226.07872	2.2
235.72850	0.9
258.31537	1.0
274.87433	1.0
283.02408	2.0
303.32178	1.1
387.14490	17.2
388.14905	2.3
399.14706	1.0
435.16553	2.2
549.19458	5.5
597.21704	11.9
598.21838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01255	6.7
61.98685	0.5
64.17946	0.5
66.82504	0.5
71.01248	5.8
71.35420	0.6
72.99192	0.5
73.02825	0.6
80.96406	1.9
81.59894	0.4
83.04946	0.6
85.02832	1.8
89.02319	4.6
97.06470	1.5
101.02327	5.5
111.08034	0.6
113.02341	3.1
113.09588	1.8
119.03391	1.4
141.09091	1.1
145.04991	0.9
161.04477	1.3
161.63812	0.4
165.12770	3.0
167.14334	1.8
179.05571	1.8
181.12265	3.0
183.13844	0.6
193.12321	1.8
193.15834	1.2
195.13834	3.2
204.08611	0.5
211.13368	2.7
213.14865	0.8
221.15439	2.3
229.14375	1.0
235.08147	2.2
235.48332	0.6
240.13632	0.7
241.14606	0.8
247.20709	3.5
253.09285	9.4
253.84221	0.5
254.09631	0.8
263.20111	0.8
273.18552	3.1
277.21729	68.2
278.22079	7.5
279.23236	0.7
281.21182	1.5
289.18170	0.8
291.19669	41.2
292.19986	4.0
309.20712	100.0
310.21072	9.5
311.22354	0.6
380.50085	0.6
383.24158	0.6
477.09830	0.5
500.84418	0.5
527.28503	4.0
545.29596	16.5
546.30084	2.0
574.09540	0.5
805.52606	3.6
806.50867	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	805.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01257	1.8
61.98710	1.1
67.01750	0.1
69.03325	0.2
69.18462	0.3
69.18867	1.3
71.01253	0.5
71.04876	0.5
80.96377	0.3
83.04898	0.6
93.03333	0.4
95.04903	0.6
97.06469	0.3
98.19791	0.3
101.02335	0.2
106.04117	0.2
107.08521	0.2
109.06471	0.5
111.08043	8.4
112.08372	0.3
113.02316	0.2
113.09606	0.4
123.08031	0.4
123.62857	0.1
135.07970	0.2
135.11678	0.4
137.09601	0.8
140.34972	0.2
149.09619	0.4
151.11186	0.3
155.10631	0.2
163.11078	0.2
165.12746	0.3
167.10699	2.0
168.19363	0.1
169.12125	0.2
171.10211	0.2
172.20302	0.2
177.12787	1.3
179.10706	1.6
181.12312	0.3
193.12158	0.2
193.16042	0.1
195.13838	5.8
196.14168	0.4
203.14355	0.4
229.19469	0.2
243.16609	0.1
247.20660	2.3
248.20959	0.2
253.09232	0.9
273.18686	1.3
277.21747	4.8
278.22128	0.4
291.19666	100.0
292.20004	9.9
293.21219	0.6
323.87976	0.2
334.64166	0.2
805.40491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
59.01250	3.1
61.98705	0.4
69.03320	0.2
70.26229	0.3
71.01251	2.6
72.28553	0.1
72.99193	0.1
73.02825	0.3
81.03345	0.1
83.01240	0.2
83.04868	0.1
85.02829	0.7
87.00751	0.5
87.28902	0.1
89.02321	1.9
91.03901	0.1
94.46427	0.1
95.01234	0.2
95.04903	0.2
97.02868	0.1
97.06480	0.1
97.52045	0.1
101.02321	2.6
111.08015	0.5
113.02316	1.2
113.09615	0.3
118.68393	0.1
119.03384	0.5
120.47728	0.1
121.10107	0.2
125.02303	0.1
131.03365	0.1
141.09064	0.1
143.03413	0.3
161.04465	1.5
167.10696	0.3
171.10161	0.7
177.12773	0.2
177.16394	0.1
179.05586	0.5
179.10620	0.2
179.14316	0.8
181.12262	0.2
195.13840	9.2
196.14496	1.0
205.12280	0.7
205.15891	0.4
211.13312	0.4
223.13341	6.1
224.13892	0.5
225.14868	0.2
228.13622	0.8
231.21162	0.5
235.08217	0.9
239.12886	0.2
249.22136	0.1
253.09264	16.2
254.09467	0.6
256.13144	1.1
265.21686	0.5
267.91815	0.1
275.20160	6.1
276.20413	0.5
293.21216	100.0
294.21555	8.4
410.07471	0.1
438.93396	0.1
492.22153	0.5
529.30359	0.8
569.42072	1.1
570.42108	0.3
679.93005	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	805.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
57.20478	0.3
58.00467	2.1
59.01249	30.4
69.45294	1.5
69.45693	0.7
71.01253	20.8
72.99170	2.0
73.02831	0.5
74.24299	0.3
78.12749	0.3
83.01254	0.9
85.02818	3.9
86.00043	0.3
87.00762	0.7
89.02319	21.9
90.02647	0.5
95.01265	1.4
101.02319	15.9
102.02680	0.5
111.00708	0.4
113.02330	9.4
113.09598	0.6
118.97968	0.3
119.03388	9.4
131.03377	0.8
141.09134	5.2
143.03363	0.3
149.04453	0.4
159.10168	2.3
161.04420	0.5
179.05486	0.6
180.71959	0.3
184.85992	0.3
278.92883	0.4
321.15533	100.0
322.15878	6.7
327.05093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.3
58.00461	1.3
59.01252	30.0
61.98687	3.5
71.01255	18.4
71.09668	0.8
71.10026	1.3
72.99174	1.5
75.00735	1.0
80.04924	0.8
83.01266	1.8
85.02830	4.9
87.00758	1.6
89.02318	12.4
94.06488	1.2
94.34932	0.7
95.01266	1.6
96.95895	1.0
101.02318	11.8
106.06488	4.9
107.03593	1.2
113.02337	5.5
119.03408	4.8
119.23270	0.8
120.08081	15.4
122.05145	1.0
122.06015	18.7
132.04448	2.0
134.06013	26.2
135.06276	0.9
136.07564	0.8
137.04677	0.8
150.05493	1.2
152.07072	6.2
158.02396	1.2
160.03963	1.3
190.04980	2.8
206.16992	0.8
221.10770	0.9
223.08727	3.4
224.09436	1.9
225.10321	1.5
231.28012	0.8
235.08757	1.2
235.12578	1.5
236.09520	1.6
237.10277	5.7
238.11037	2.2
239.11858	7.0
241.13432	0.9
249.06789	1.4
249.10352	2.5
250.07359	1.6
251.08214	3.5
251.11900	6.3
253.13367	1.4
263.08258	5.8
263.11801	1.9
264.09009	9.2
264.12161	1.6
265.09793	8.1
265.12595	1.2
266.10275	0.9
271.11032	0.9
276.08966	2.1
277.09772	5.7
278.10529	2.7
279.11389	24.8
280.11984	5.1
281.12769	2.3
283.02493	3.4
285.12198	1.0
287.01779	1.5
291.11414	7.9
292.08759	1.1
292.12094	5.4
293.12823	1.8
294.13773	1.4
303.11111	1.0
305.09268	2.8
307.10794	1.8
310.09265	1.0
314.12408	1.9
323.10379	2.8
324.11038	3.5
325.11807	1.3
337.11929	2.1
358.19312	1.6
360.17044	1.3
370.15549	1.7
371.16245	1.2
372.17401	1.2
384.17114	2.8
385.17761	1.0
386.18732	2.4
399.19690	1.2
402.18063	2.4
414.18045	1.6
421.06973	1.0
426.18195	2.1
427.19183	1.2
428.15952	1.1
430.18042	1.0
431.18164	1.1
444.19366	2.0
454.17731	1.1
459.18015	1.1
462.20300	2.4
471.18134	1.1
472.18695	3.1
473.19708	2.9
490.19800	5.3
532.20703	1.2
564.23376	1.7
593.24170	0.9
606.24603	3.1
610.23981	1.9
611.24084	1.1
633.23370	0.8
650.23419	10.6
651.24323	13.2
652.24347	1.0
682.26111	14.9
683.26746	3.6
729.31445	2.5
745.30707	1.9
755.29120	1.0
773.30389	100.0
774.30682	24.0
805.32996	52.5
806.33624	13.3
828.44971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	17.0
59.01497	2.6
61.98685	8.3
68.99675	3.1
69.43645	19.8
71.01247	12.7
77.17146	2.5
80.81281	2.3
87.00690	3.4
89.02315	16.4
96.95885	7.8
101.02307	8.1
109.02839	4.6
113.02343	5.7
118.97926	4.5
119.03386	5.7
125.02293	4.6
137.02324	14.3
138.03090	4.8
149.02338	5.1
151.00264	7.6
151.03929	6.3
152.01062	7.0
153.01816	5.0
153.05455	5.6
161.02333	5.9
165.01845	89.7
166.02623	20.6
168.04204	7.7
176.00987	4.0
176.04704	5.5
177.01836	24.9
178.02559	3.0
179.03409	21.1
180.04207	62.3
181.04962	24.5
191.03372	7.2
192.04224	24.5
193.01350	4.1
193.04869	4.0
194.05798	15.1
195.06551	81.2
196.06897	3.8
207.06555	39.0
208.03745	3.8
209.08130	7.8
210.05331	13.1
223.06052	13.9
225.07652	100.0
226.08044	3.9
283.02457	11.7
374.30066	3.0
387.14481	6.5
403.06552	3.7
417.15497	21.5
418.16370	3.4
595.20630	5.9
631.32849	2.7
632.60693	3.7
643.24017	22.5
707.87372	2.9
746.31097	2.8
750.73499	2.9
796.01642	2.8
805.28699	15.8
806.29950	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17239	1.6
59.01249	19.4
61.98686	1.6
71.01248	4.9
89.02307	8.3
95.01242	1.8
96.95927	2.8
101.02336	5.1
104.96467	1.6
113.02340	4.2
114.38503	1.6
119.03387	4.7
120.01148	3.6
121.02849	5.1
122.03635	8.9
122.21156	1.8
123.04407	1.8
132.47710	1.5
133.02888	3.0
136.01569	6.3
137.02339	2.3
146.03624	1.9
149.02351	20.2
150.03130	85.3
151.00325	1.8
151.03751	6.7
160.01595	1.7
162.03093	8.2
164.04720	3.7
165.01892	3.9
165.05479	100.0
166.02583	3.3
166.05869	4.1
177.05486	7.3
179.03406	2.8
179.05467	2.2
180.04138	9.1
181.04936	5.4
185.79359	1.4
189.05479	2.3
195.06558	85.9
196.06882	4.1
223.08066	1.7
282.05219	2.2
293.08066	2.4
308.10519	2.9
309.07675	3.2
324.09976	7.5
327.08566	4.3
339.08615	9.2
339.12515	5.4
342.11063	7.4
347.35495	2.0
348.74289	1.8
354.10989	6.0
357.13425	25.9
358.13730	3.5
369.13419	30.3
370.13794	3.0
399.14554	5.0
429.15442	6.9
467.00232	1.9
517.18427	3.1
535.20001	3.7
552.54504	2.0
565.20679	5.0
577.20599	12.1
583.21851	40.8
584.21936	6.9
625.22687	12.1
637.54938	2.0
653.77051	1.8
755.53693	1.9
788.90424	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	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	20.6
66.66222	1.1
69.78568	4.9
82.33078	0.9
84.90591	1.0
88.46967	1.0
88.98682	2.8
93.03345	2.9
108.02077	1.5
109.02898	1.4
114.85916	0.9
120.01142	4.0
121.02847	6.2
122.03632	11.5
123.04433	1.7
133.02859	1.6
136.01561	3.9
137.02315	1.6
148.01645	1.2
149.02342	29.9
149.05894	1.2
150.03134	89.8
151.03658	4.1
160.01680	1.1
164.04700	7.5
165.05484	100.0
166.02701	1.6
166.05856	4.9
175.39191	0.9
177.05441	1.1
179.03442	1.2
179.06981	1.1
180.04173	6.6
181.04936	1.8
195.06558	52.1
196.06976	2.0
209.08093	1.4
268.07422	1.8
283.09744	2.2
293.08292	1.3
297.11346	1.5
299.09042	1.7
307.09946	1.1
308.06989	2.2
308.10541	2.5
309.07651	2.1
310.08234	1.1
312.06464	1.5
313.10806	1.4
322.08417	1.6
323.09012	1.9
324.06491	1.9
324.10056	3.7
325.10791	3.2
326.11639	4.1
327.08850	5.3
327.12143	1.3
337.10669	1.1
338.11743	1.5
339.08655	9.5
339.12509	4.7
340.09119	2.0
341.14154	2.4
342.11099	7.7
343.11826	1.9
354.10941	5.4
357.13422	20.7
358.13742	2.4
369.08661	1.4
369.13379	23.7
370.13589	2.5
387.14291	2.4
399.14423	1.3
429.15503	3.6
472.14853	1.5
473.15833	1.0
490.16553	1.3
500.26965	1.2
505.18973	4.1
517.18640	3.6
535.13245	0.9
535.19672	39.3
536.20166	5.8
565.20569	6.3
577.20679	2.8
583.21844	70.3
584.22113	15.5
595.21777	1.3
625.22717	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	803.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01253	5.7
61.98706	6.2
69.03315	0.6
71.01247	4.7
71.04887	1.7
71.51614	0.5
73.02822	0.7
78.95789	0.5
79.95570	0.3
80.96389	0.8
83.01269	0.4
83.04891	0.8
85.02819	1.1
87.00748	0.8
89.02328	3.6
95.01264	0.5
95.04909	0.5
97.06462	0.8
99.00727	0.5
101.02315	3.9
109.06482	0.8
111.08037	8.3
113.02333	2.2
113.09594	0.5
119.03372	0.7
127.07529	0.3
137.09636	0.6
139.11206	0.6
145.04987	0.4
149.09602	0.5
161.04468	1.8
163.11134	0.4
166.32567	0.3
167.10715	2.2
167.77029	0.4
170.34480	0.3
177.12801	1.9
179.05566	0.7
179.10690	1.6
179.14380	0.9
195.12039	0.7
195.13843	12.5
196.14246	1.0
205.12279	0.8
205.15898	0.9
211.13354	0.6
223.13362	5.6
225.14914	0.7
228.13667	0.6
231.21027	0.4
235.08224	2.5
247.20685	2.1
249.22029	0.3
253.09283	15.3
254.09555	1.0
256.13095	1.2
272.88812	0.4
273.18695	1.3
275.20184	5.1
276.20746	0.6
277.21649	2.8
289.18039	1.5
291.19672	100.0
292.20032	9.2
293.21231	82.8
294.21564	7.8
307.19107	1.2
387.08615	0.4
395.49536	0.3
442.41635	0.4
492.22241	0.5
509.27448	0.7
527.28552	6.0
528.28882	1.2
529.30206	1.3
567.40973	0.9
716.54803	0.4
832.44312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
59.01498	0.4
61.98722	1.2
67.54732	0.4
70.84424	1.1
71.01250	4.0
71.04899	0.7
73.02831	0.8
79.95611	0.8
80.96402	3.5
83.01299	0.4
83.04935	0.5
85.02858	1.2
87.00797	1.1
89.02314	2.3
94.97994	0.5
95.01267	0.5
95.04905	0.6
97.06467	0.5
98.19947	0.4
101.02327	3.5
109.02805	0.4
109.06464	3.9
111.04433	1.5
111.08044	0.9
113.02354	1.4
117.23969	0.4
123.08070	0.6
127.07528	1.1
135.08040	0.4
143.10686	0.7
145.06526	0.7
161.04518	1.7
177.12837	0.6
179.10699	0.4
191.14426	0.6
195.13876	0.9
225.00587	0.8
235.08189	6.3
245.19060	3.0
253.09273	11.3
254.09464	0.5
271.16968	0.9
275.20151	0.6
277.21722	100.0
278.22073	10.6
287.16476	0.7
289.18094	59.5
290.18427	6.9
291.19678	1.7
293.21133	2.2
307.19177	4.5
513.30066	0.7
525.26422	0.6
527.28802	0.6
803.42291	3.1
804.41901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.1
59.01249	20.0
61.98701	14.7
68.07092	1.3
69.03321	2.2
71.01254	18.1
71.04873	1.3
71.52183	1.5
72.99167	1.7
73.02811	4.4
78.95770	1.8
80.02559	1.7
81.03318	2.4
83.01267	2.1
83.04894	5.6
83.20139	1.3
84.02039	2.4
85.02820	3.6
87.00739	7.8
88.98668	1.9
89.02305	9.9
95.01279	1.8
95.04923	1.4
96.95874	2.8
97.02788	3.5
99.00762	3.1
101.02319	10.3
108.02028	1.4
111.04360	1.4
113.02333	7.6
115.07469	2.2
118.49534	1.2
119.03369	2.5
123.04436	1.7
123.08058	1.4
125.02354	3.1
125.09604	6.4
126.19547	1.4
127.07535	2.8
129.01833	1.5
135.08006	2.3
137.22850	1.2
145.04994	2.1
151.11124	1.5
153.09105	14.5
161.04485	5.2
163.11171	6.8
165.12733	2.0
169.12254	99.7
170.12621	3.6
171.10176	41.4
178.09900	2.3
179.05463	2.0
181.12242	3.3
183.13815	3.6
185.11754	9.2
193.12225	1.9
197.11734	11.5
199.13264	3.9
201.11166	2.7
207.10184	3.6
209.11763	100.0
210.12109	5.8
211.13322	41.5
212.13754	2.7
225.11250	6.8
227.12808	9.0
235.08255	10.7
243.12383	1.8
245.19081	4.6
253.09239	18.9
262.77792	1.6
263.20157	1.6
272.03183	1.6
287.01712	1.8
289.18069	21.4
290.18579	2.2
291.19717	2.3
297.21045	1.5
307.19122	69.7
308.19400	5.8
309.20673	1.9
325.16632	2.8
325.20166	31.8
326.20511	2.5
327.21597	1.8
341.23318	4.9
367.59183	1.5
379.12503	2.2
397.13568	8.4
405.21326	3.5
449.19882	1.5
474.20731	1.9
525.27173	9.7
543.20447	2.3
543.28107	19.6
544.28320	1.9
561.28992	5.7
591.26611	1.7
609.26733	2.3
626.32892	5.9
683.27875	2.8
695.28558	1.5
695.40216	28.3
696.40662	5.2
697.37860	2.0
713.41351	9.2
735.39972	2.3
739.38672	3.4
753.39966	3.3
757.40063	7.9
758.40009	1.5
771.40619	2.6
775.41296	4.7
785.40643	1.9
791.33069	1.6
803.29712	2.3
803.44586	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	803.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.1
61.98694	3.0
69.68538	1.4
69.68961	2.3
71.01254	12.1
72.99174	1.0
78.95783	1.1
79.15912	0.6
80.04922	1.8
83.01253	1.3
85.02830	3.6
89.02312	8.3
93.69221	0.6
96.95887	4.2
98.19799	1.3
99.00797	0.7
101.02330	5.9
104.04927	0.7
106.06499	2.9
106.70120	0.7
113.02315	3.8
119.03382	2.9
120.04420	1.2
120.08059	0.9
121.05177	1.2
122.06010	6.2
132.04420	2.7
134.06015	22.0
134.07014	1.4
135.06372	1.2
148.04065	1.0
152.07025	3.2
160.03900	1.0
160.06331	3.0
161.04546	0.8
163.01831	0.7
169.99068	0.7
171.10184	2.1
174.05426	1.5
190.05057	1.9
197.11745	1.2
209.11786	0.8
211.13339	1.8
213.10262	15.2
214.10603	1.6
223.08871	0.7
225.10287	1.3
226.11081	1.7
227.12062	0.8
235.08551	1.1
239.11852	6.9
241.13431	6.2
242.13742	0.8
247.08507	0.7
251.11870	2.1
253.09402	0.9
263.08307	1.3
267.11353	1.4
277.09720	1.7
279.11487	1.5
285.12433	18.2
286.12820	1.6
293.12930	1.8
305.09161	2.0
307.10742	0.9
316.14734	1.1
327.21594	1.1
328.10837	2.4
337.11884	2.4
338.30743	0.7
340.14493	1.2
341.11469	0.7
342.12466	1.8
343.13193	2.3
344.13870	1.3
356.14063	1.8
357.14676	1.7
358.15668	6.7
359.15897	1.2
368.14111	1.4
370.11765	1.6
370.15814	1.2
372.17258	2.0
382.11615	0.9
382.15881	1.2
383.12234	0.8
384.13477	2.8
384.17267	2.2
385.14069	1.4
396.13617	1.3
397.14130	2.6
398.15106	3.2
399.15732	1.7
400.16586	6.9
401.17102	1.3
410.15158	1.0
412.16650	6.1
426.14697	1.5
438.14233	1.1
444.15454	3.2
475.17328	0.9
503.20288	0.8
505.22348	0.9
517.18250	1.8
545.21564	1.3
546.23254	0.9
591.21924	0.9
725.27911	1.4
727.29626	6.0
728.30127	1.3
743.29303	1.7
753.27704	1.2
771.28827	100.0
772.29144	23.5
803.30756	18.5
804.30945	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	802.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
61.53216	0.3
61.98704	100.0
62.98400	0.3
66.60835	0.2
71.01294	0.3
80.96398	0.9
83.06454	0.3
98.20544	0.9
108.63351	0.2
125.68351	0.2
149.47514	0.2
171.10242	0.3
211.13417	1.1
212.13808	0.8
213.13922	0.3
229.45114	0.4
253.09392	0.4
277.21695	1.9
277.63467	0.3
278.22211	0.7
279.22476	0.4
288.95566	0.2
291.19717	0.7
292.76489	0.2
293.21255	0.5
307.19202	0.3
323.13409	0.3
357.40509	0.3
449.23041	0.3
788.67798	0.3
803.42603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59638	0.1
59.01258	0.2
61.98703	100.0
62.98429	0.3
71.01262	0.3
75.00748	0.2
78.95805	0.3
79.95615	0.4
80.96388	0.8
85.02866	0.2
87.00744	0.1
88.98689	0.3
91.62923	0.2
94.98012	0.3
101.02313	0.2
106.97887	0.2
154.02333	0.2
155.05452	0.2
163.11223	0.2
197.11728	0.2
206.99841	0.1
209.11797	0.2
211.13516	0.3
225.00775	0.2
246.54126	0.1
253.09360	0.2
293.21179	0.4
310.21005	0.2
334.02878	0.2
407.02878	0.1
411.02185	0.2
460.25143	0.2
586.18616	0.2
803.38873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.3
61.98702	100.0
62.98402	0.2
67.92999	0.1
71.01259	0.4
71.43369	0.3
75.00777	0.2
78.95784	0.3
79.95614	0.3
80.96384	1.3
87.00788	0.2
88.98705	0.3
94.97982	0.3
164.98567	0.3
179.77705	0.1
225.00824	0.3
225.11276	0.2
289.18094	0.2
291.19925	0.2
293.21170	0.3
347.13770	0.2
555.42188	0.2
803.39642	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	801.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01252	5.9
61.98726	4.7
69.03330	5.7
71.01248	8.0
71.04900	2.1
71.51984	0.8
72.99191	1.2
73.02843	1.2
80.79766	0.7
83.01251	1.6
83.04878	1.0
84.02032	1.6
85.02814	2.3
87.00739	1.5
89.02307	2.9
95.01271	1.1
95.04949	0.7
97.02837	1.3
97.06468	5.9
99.00763	1.6
101.02318	6.9
109.06474	1.4
111.08031	0.9
113.02340	2.3
115.00266	1.2
119.03414	0.8
123.08057	1.2
125.09588	3.9
137.09608	1.7
149.09555	0.9
151.11191	2.2
153.12756	1.8
161.04451	1.3
161.09613	3.1
163.11139	1.7
164.87590	0.7
169.12297	1.2
171.10187	13.2
171.13467	0.9
179.10698	8.1
183.13779	0.8
185.11757	0.9
193.12253	7.7
197.11769	67.0
198.12068	3.8
199.13329	0.9
201.11348	1.5
207.10135	2.8
209.11784	2.8
211.13268	2.4
221.11792	0.9
223.09691	2.3
223.13295	2.2
225.11208	2.6
225.14917	9.7
226.15213	0.8
227.12964	0.9
235.08217	1.7
241.10764	3.1
243.16086	4.7
247.48811	1.0
249.64894	0.8
253.09265	4.8
253.14461	1.2
259.02444	1.8
287.02008	4.6
288.02652	2.5
289.17984	0.9
291.19461	1.4
305.17719	1.5
309.20721	1.1
315.01385	3.1
341.23288	14.3
354.29428	0.8
459.18011	0.9
477.19653	1.8
499.45389	0.8
610.61530	0.8
681.25061	3.7
682.26154	1.5
711.26593	0.8
769.40137	0.9
783.39697	1.2
801.30225	5.7
801.42786	100.0
802.30707	1.6
802.43243	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.8
58.00461	2.3
59.01252	64.1
61.98705	18.1
65.03833	3.1
69.03331	4.9
71.01254	53.9
71.04859	1.6
71.52164	2.6
72.99176	3.5
73.02814	8.7
75.00734	1.7
81.03329	2.9
83.01252	6.9
83.04893	10.7
85.02834	17.1
85.06435	2.2
87.00745	14.3
89.02312	37.2
93.03316	2.3
95.01292	4.6
95.04923	2.8
96.95893	17.1
97.02840	8.4
97.06461	5.4
97.49075	1.5
99.00758	3.7
101.02320	35.7
107.08499	1.8
109.02866	3.6
109.06464	4.4
111.00771	2.0
111.08028	4.9
113.02323	17.6
114.12695	1.7
119.03461	8.0
121.02811	1.9
123.08015	3.4
125.02316	11.1
125.09603	17.7
136.56293	1.6
137.09621	3.3
139.03934	1.7
143.03464	4.1
161.04425	6.7
163.11237	2.9
171.08769	3.0
171.10184	50.4
172.10573	3.8
179.05542	10.1
185.11719	3.2
189.16391	2.3
190.67845	1.7
205.15947	2.9
209.11786	14.0
211.13312	15.8
215.14415	11.5
221.06644	6.4
221.15309	2.8
231.13850	2.9
233.15430	57.2
234.15810	3.8
235.08167	4.5
249.14955	25.0
251.16585	2.5
253.09331	2.3
263.07706	2.1
286.54306	1.9
287.01669	2.2
307.19080	1.7
323.23840	1.7
327.21799	3.0
331.26352	3.9
341.24762	6.8
349.22223	2.6
359.25873	2.8
367.22540	3.4
375.25360	6.7
379.12411	4.0
385.23788	21.3
386.24167	3.0
393.26227	1.6
397.13504	21.9
403.19632	2.1
403.24911	38.5
404.25323	6.8
415.14633	5.6
421.25940	19.7
477.28226	2.0
603.31555	2.1
647.29138	2.2
765.36414	2.0
773.39874	3.3
783.38110	100.0
784.38409	22.1
801.39362	73.0
802.39673	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	799.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.6
66.80636	0.3
69.80865	1.6
71.01247	2.3
73.02806	0.8
80.96394	1.4
81.81453	0.3
83.04913	0.3
85.02811	0.6
87.24805	0.3
89.02343	1.5
98.19895	0.5
101.02350	1.9
113.02321	1.4
119.03431	0.5
145.04991	0.3
161.04460	0.9
167.14307	0.4
179.05582	0.4
183.13829	5.1
184.14183	0.3
193.12291	1.6
211.13336	100.0
212.13669	5.9
212.15607	0.4
214.33806	0.3
225.91707	0.3
235.08182	3.3
253.09245	8.2
254.09573	0.3
259.20715	0.4
275.19943	0.3
277.21716	71.3
278.22079	7.4
429.21378	1.5
447.22385	7.8
448.22693	0.9
513.30621	1.2
707.43494	0.6
709.38074	0.4
781.41144	0.3
799.41388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
59.01249	43.1
61.98707	37.3
69.03330	32.1
71.01255	48.0
71.04900	3.5
71.52320	6.0
72.99181	10.2
73.02826	7.7
75.00763	4.0
78.95785	3.3
81.03335	4.0
83.01241	2.6
83.04903	7.2
85.02827	12.0
85.06416	2.7
87.00739	14.5
89.02309	22.1
93.03376	3.3
95.04919	3.6
96.95884	14.5
97.02852	6.9
97.06470	9.7
99.59152	2.5
101.02341	24.1
109.06473	4.2
111.04404	4.1
111.08028	4.3
113.02335	11.0
117.10344	2.6
119.03408	5.5
123.08065	14.8
125.02338	10.6
125.09623	28.8
127.07610	3.0
135.07979	3.5
137.09608	8.9
143.03368	3.2
149.09625	5.4
151.11227	5.1
153.09106	4.4
155.10693	9.8
161.04485	3.4
161.09641	12.0
165.09135	2.9
171.10211	41.2
179.05566	9.4
179.10715	55.9
180.11058	4.7
185.11760	16.8
197.11781	10.8
209.11810	25.4
211.13327	18.4
213.09492	2.8
213.11174	13.2
215.14337	3.2
215.99808	3.0
221.06567	3.7
221.15488	4.8
223.09709	2.8
223.22444	2.7
225.11301	4.5
231.13788	4.0
233.15446	29.9
235.08250	4.0
249.14911	15.7
253.09229	5.5
255.12355	99.2
256.12759	5.6
272.03336	4.6
290.83588	3.4
291.19739	5.1
307.19189	10.3
309.20767	10.1
325.20215	4.8
327.21924	3.4
341.24734	4.2
385.23752	12.9
397.13419	17.2
403.24762	30.4
404.25168	4.7
415.14526	4.0
421.26126	11.6
452.76068	3.1
569.25781	3.0
629.28290	6.0
783.37927	59.8
784.38885	16.7
801.39392	100.0
802.40015	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	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06371	0.1
61.98704	100.0
62.98408	0.3
63.31002	0.1
64.63823	0.1
70.90399	0.3
72.45102	0.1
153.33519	0.2
189.56265	0.1
207.22737	0.1
211.13423	0.2
223.13504	0.2
277.21838	0.2
291.79758	0.2
293.21280	0.2
294.21701	0.1
465.84479	0.1
763.33887	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.1
63.96099	1.2
69.03346	1.2
71.01249	10.7
73.02803	1.0
78.95770	3.0
78.98457	5.6
79.95602	13.3
80.96391	83.0
85.02811	3.5
87.00740	2.2
92.36572	1.0
94.97390	1.3
94.97968	20.7
96.48843	1.0
96.95890	1.1
97.02848	1.5
98.19725	1.3
99.04296	1.0
99.34267	0.9
101.02306	2.5
102.77148	0.9
106.97960	4.3
116.97157	0.9
122.97483	4.7
125.02326	4.1
127.03857	1.1
134.97462	5.3
136.99031	1.3
148.99046	6.8
152.98524	7.0
152.99600	1.6
164.98532	13.1
166.99904	1.1
206.99666	2.8
217.00342	1.3
224.98431	1.2
225.00687	18.7
255.23283	3.4
537.27203	4.7
793.51331	100.0
794.51721	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	793.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.7
71.01257	11.8
71.52202	2.6
76.37991	2.1
80.96366	2.7
89.02307	13.7
98.32933	1.7
101.02299	9.6
106.97791	1.8
107.41862	1.6
108.02103	2.8
109.02827	3.5
110.89197	1.9
113.02315	5.6
119.03348	6.4
121.02785	2.0
123.04397	2.6
131.17540	1.6
136.01582	3.2
137.02315	14.5
144.59927	1.9
149.02322	3.0
151.00201	3.2
151.03868	3.6
152.01007	3.6
164.00845	1.7
165.01837	100.0
165.05562	2.3
166.02570	9.7
171.04306	1.8
172.05231	3.7
173.02370	2.2
175.03825	2.1
177.01852	26.9
179.03346	13.5
179.05569	4.1
180.04199	63.0
181.04918	11.5
189.05492	4.9
190.06281	5.2
191.03482	4.0
192.04199	28.2
195.06557	89.7
196.06894	3.7
203.07762	2.1
205.05231	1.9
207.06575	35.9
209.08015	2.4
210.05270	16.8
221.08138	4.0
225.07640	90.1
226.07927	4.7
281.04538	2.1
282.05243	4.5
283.02292	2.3
294.05414	2.3
296.07010	2.5
297.07520	5.5
309.07526	4.8
311.09305	4.3
312.09851	2.8
326.11505	4.3
327.08762	2.2
327.12302	5.6
342.11087	12.1
348.07227	1.7
357.13394	48.1
357.17517	3.6
358.13593	4.9
387.14517	13.5
388.14783	2.4
535.19427	2.8
565.20538	2.6
583.22345	2.6
613.22919	33.2
614.23010	8.2
824.85986	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	793.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
61.98701	2.4
70.12698	0.8
71.01239	2.9
71.51994	1.0
71.52398	1.1
72.99169	3.0
78.95792	1.2
87.00773	0.9
99.00761	1.0
111.08022	0.9
140.98204	1.7
171.10167	1.7
172.00046	5.9
195.13858	1.3
205.12167	1.0
223.13373	10.1
253.09265	2.1
265.17886	1.0
277.18750	1.1
277.21530	3.9
291.19705	9.1
309.20941	1.0
328.14484	1.2
459.16779	0.9
459.22870	1.2
460.19083	12.5
461.19666	8.4
462.19937	1.1
465.93588	1.0
474.20596	1.9
475.21143	6.2
476.21619	2.1
519.20264	12.1
520.21039	2.9
532.54755	0.9
533.22284	2.1
534.22772	3.2
589.24225	2.5
590.24426	1.0
621.27142	100.0
622.27576	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
61.98701	1.9
65.43077	0.9
69.92967	0.8
71.01284	0.9
71.15973	1.0
71.52047	0.9
79.07639	0.9
81.43714	0.9
89.02321	1.7
134.03659	1.3
137.07635	0.9
147.77841	1.0
150.03020	1.6
151.03912	1.2
152.01036	1.2
153.01839	1.1
166.02585	1.9
181.04996	2.8
183.04446	1.8
187.03821	1.2
193.04984	1.5
194.05710	1.0
195.06519	2.2
211.04001	2.1
211.06029	1.3
222.90544	1.0
227.03458	5.7
239.03435	2.6
254.02298	1.4
255.02988	10.4
258.01651	2.4
259.02441	3.0
271.02475	3.3
272.03186	3.4
282.01660	1.2
283.02466	100.0
284.02902	8.5
285.03915	2.3
296.03183	2.3
297.03812	1.7
301.03476	2.5
313.03528	1.2
325.03378	4.5
328.02243	1.2
331.04547	2.1
341.10373	1.4
355.04269	1.1
403.06662	21.1
403.14499	1.1
404.07019	1.2
421.07535	1.7
596.12067	2.0
629.16766	1.6
673.16229	2.9
749.20929	1.5
777.26703	1.0
793.19696	20.8
794.20294	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.0
59.75669	3.9
61.98699	78.1
70.27008	4.2
71.01264	9.9
72.99168	7.2
78.95777	18.5
79.95592	6.5
80.96383	19.8
84.55349	4.4
84.81684	4.4
89.02320	5.0
94.97977	5.2
101.02294	6.0
126.56452	4.3
129.32642	5.0
152.99503	6.4
153.95337	4.7
163.11223	5.0
171.10201	11.1
180.63232	4.5
181.12262	6.1
185.11717	7.2
207.10262	4.4
209.11780	73.3
209.13574	7.8
211.13419	6.8
225.11215	5.4
227.12758	29.1
253.09198	16.8
271.02621	5.4
272.02979	12.1
273.03571	7.2
287.01898	8.6
291.19751	22.0
293.21060	8.1
309.20654	100.0
310.20911	12.7
527.28442	5.8
545.29620	29.0
737.40515	12.1
755.41821	18.6
791.39594	38.1
792.40344	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	791.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.7
61.98708	0.9
67.01768	0.3
69.86652	0.3
71.01254	8.1
72.99201	0.6
73.02818	0.8
78.95789	1.3
83.01273	0.4
85.02815	1.8
86.02355	0.4
87.00771	0.5
89.02316	9.6
93.03341	1.1
95.01280	0.5
95.04948	0.7
96.95864	0.4
99.00780	0.3
101.02312	4.2
105.03322	3.0
113.02339	3.6
119.03379	3.4
120.01130	1.5
121.02856	0.6
123.04401	0.4
125.02316	0.4
128.03419	1.8
131.03394	0.7
133.02858	1.6
137.02229	0.4
138.03041	0.3
143.03429	1.8
147.04391	0.5
148.05193	0.5
151.03923	9.0
152.04228	0.4
152.99533	0.7
161.02353	33.0
161.04289	2.3
162.02715	1.4
163.07529	0.5
171.07677	0.5
171.10165	0.3
176.04704	18.1
177.05164	0.4
179.03423	57.5
179.05493	6.2
180.03728	2.5
190.81670	0.4
191.07077	6.2
193.04988	0.4
194.05775	50.2
195.06206	2.6
200.78152	0.3
202.64319	0.3
209.08134	100.0
210.08469	5.4
211.15509	0.3
229.70020	0.4
238.45604	0.3
249.05489	1.3
258.01801	0.5
271.02414	0.7
272.03156	1.3
278.44849	0.3
283.02463	1.2
285.03671	0.4
301.03516	2.8
331.04517	0.7
419.17130	7.6
420.17279	1.0
450.14133	0.3
581.13763	0.6
581.22369	7.8
582.22601	1.0
725.59717	0.4
791.23199	0.5
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
55.91419	0.9
57.03316	3.0
59.01250	10.6
61.98703	8.4
69.03316	3.0
71.01255	7.7
71.04887	3.8
71.52356	1.1
72.99195	1.4
73.02808	2.0
78.02403	0.7
80.91550	3.5
83.01246	0.8
83.04894	1.4
85.02821	6.2
87.00739	2.6
89.02329	5.3
95.04880	2.2
96.95894	1.8
97.02838	6.3
97.06480	4.3
99.00755	17.4
101.02353	5.2
109.06483	2.3
113.02318	3.5
119.03373	1.1
123.08057	3.0
125.02296	1.2
125.09608	9.2
127.11176	2.6
137.09601	1.0
161.04512	2.0
161.09605	1.1
163.11194	10.2
164.11630	1.1
171.10191	34.1
172.10567	1.9
181.12273	17.2
182.12669	1.0
183.13821	3.2
185.11693	1.2
197.11778	2.8
199.13368	13.7
201.11211	1.9
207.10210	29.5
208.10539	2.1
209.04391	0.8
209.11801	5.3
211.13316	8.2
221.11888	1.6
225.11284	45.0
226.11578	2.8
227.12924	1.7
229.14435	4.9
235.08211	3.0
239.12886	1.2
243.09859	1.3
243.12341	25.1
244.12703	1.4
253.09300	8.6
262.11856	2.2
272.03314	0.9
291.19672	2.9
309.20724	7.1
310.21024	1.1
325.20242	0.9
327.21750	23.8
328.22076	2.5
331.18954	12.3
332.19308	1.1
343.21210	2.3
364.53430	0.8
397.13577	1.2
407.19122	0.9
437.12656	2.4
461.20517	3.2
479.21194	5.0
552.88666	1.1
563.30780	1.9
707.34302	0.9
708.35590	1.0
771.40186	1.0
789.42828	100.0
790.31970	1.4
790.43311	23.1
797.93451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88804	3.1
56.51682	2.6
57.03316	4.3
59.01249	23.1
61.98704	35.7
68.03962	2.5
71.01254	88.4
71.52331	4.5
72.99187	3.5
73.02800	3.9
78.95764	6.8
83.04872	3.1
85.02840	5.0
87.00748	7.6
87.30094	3.0
89.02323	12.0
93.03343	2.8
96.95896	3.5
97.02808	6.8
99.00769	3.9
101.02312	17.3
109.06461	15.7
113.02303	5.8
115.07504	3.9
125.09604	4.7
127.11147	4.0
143.07050	3.9
148.90268	3.3
151.16547	2.7
152.96181	2.8
161.04395	5.4
163.11224	10.1
165.12776	8.1
167.14352	2.7
171.10175	62.7
172.10516	4.6
181.12253	11.1
185.11765	18.8
195.13895	3.3
197.11803	15.7
197.84370	2.7
199.09688	4.5
199.13342	5.4
201.11240	30.2
207.10228	43.2
209.11804	47.0
211.13319	9.8
214.20132	3.0
215.12886	6.0
225.11273	29.0
227.12877	15.3
229.14397	6.8
235.08197	10.5
243.02895	9.3
244.03448	3.4
245.19179	4.3
247.20520	4.3
253.09196	25.6
259.02356	6.3
271.02487	15.6
272.03152	17.0
273.03546	6.6
285.00497	3.2
287.01868	22.3
288.02426	8.8
289.18033	12.0
291.19638	51.5
292.19949	4.2
299.01855	5.9
300.02530	3.9
301.03317	8.5
307.19141	37.4
309.20721	100.0
310.20953	9.4
311.21909	3.3
403.89484	3.4
420.06793	10.9
421.07358	6.4
461.20398	5.9
481.29599	9.8
499.30524	4.8
525.27216	3.9
543.27960	11.1
545.30219	17.4
611.30676	5.1
666.32373	5.2
669.28387	6.2
684.33258	5.4
699.28229	3.9
717.38544	24.8
718.38464	5.3
735.39514	71.3
736.40094	12.2
753.40594	54.0
754.40906	10.2
789.31488	14.5
789.42377	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	789.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
61.98706	1.1
64.30477	0.2
71.01254	1.1
71.52032	0.2
74.11744	0.2
75.00751	0.2
78.95776	9.4
79.95607	3.0
79.96038	0.3
80.03981	0.2
81.03300	0.2
85.02805	0.2
87.00742	0.2
89.02331	0.5
90.05477	0.2
94.97974	0.3
96.00835	0.2
96.95892	100.0
96.96806	12.5
97.02810	0.2
97.95841	0.3
98.02334	0.8
99.00776	0.4
101.02319	0.5
113.02349	0.3
125.09598	0.4
134.64215	0.2
171.10182	1.5
181.12210	0.2
185.11760	0.5
197.11804	0.7
199.13297	0.3
201.11266	0.4
207.10323	0.3
207.91866	0.2
209.11769	0.8
211.13286	0.5
215.12891	0.2
225.11282	1.0
227.12881	0.2
228.81665	0.2
229.14474	0.3
235.08214	0.3
243.12321	0.3
244.12782	0.2
253.09276	0.7
258.01669	0.2
259.02411	0.4
271.02475	0.6
272.03259	1.8
285.00534	0.5
287.02023	1.7
291.19720	0.2
293.21167	1.0
297.04041	0.4
309.20728	0.3
327.21732	0.8
331.70163	0.2
353.02658	0.2
393.61786	0.2
397.13544	0.2
415.14584	0.5
420.06619	0.4
435.08163	0.3
453.09180	1.7
454.08591	0.2
669.28497	0.6
691.33148	0.2
699.30298	0.5
788.41339	0.4
789.31055	2.5
789.44202	1.0
790.33521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.4
61.39767	1.0
61.98706	13.2
68.52792	0.9
69.51202	4.3
69.51617	2.1
71.01247	8.2
73.02840	1.5
78.66881	1.0
78.95799	1.2
80.02538	1.2
81.03304	1.4
83.04891	5.4
84.02028	1.0
84.75800	1.0
84.76303	0.9
85.02851	1.7
87.00734	3.6
89.02328	4.8
95.04950	1.0
96.95865	1.9
97.02823	1.5
97.06484	2.3
101.02310	7.2
109.06435	1.0
113.02346	3.0
119.03371	1.1
126.55809	0.9
135.68550	1.1
138.29237	0.9
145.05040	1.1
161.04521	1.8
163.11183	3.9
165.12801	5.7
169.12242	8.0
171.10172	5.8
172.10446	1.0
179.05571	1.3
181.12239	3.6
185.11766	4.0
191.10724	1.2
195.13779	1.9
197.11774	2.0
199.13327	4.1
201.11258	7.0
207.10202	2.2
209.11768	100.0
210.12138	7.2
211.13365	2.8
221.15424	1.7
225.11314	3.4
227.12831	20.2
235.08168	4.4
241.14371	1.8
247.20755	1.8
253.09218	13.7
269.17004	1.0
273.18604	1.5
281.21375	1.3
291.19653	27.7
292.19998	3.9
293.21231	3.4
309.20706	69.7
310.21063	7.4
323.22302	7.0
341.23193	2.3
357.01334	1.4
445.20807	1.3
468.03577	1.1
527.28534	4.4
545.29553	9.5
546.30060	2.4
697.41675	2.9
719.39185	1.2
737.41290	3.7
741.39838	1.3
755.41595	2.4
787.42773	5.9
811.48590	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	787.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
58.78614	0.9
58.95582	1.0
59.01253	12.7
61.98700	11.5
62.87634	0.9
69.03314	1.1
69.81154	3.9
71.01254	7.3
72.99168	1.1
73.02817	1.9
73.81374	1.0
75.00733	1.3
75.25776	0.9
83.01252	1.5
83.04914	1.4
84.02015	1.2
85.02836	3.0
87.00750	2.8
88.98681	3.2
89.02322	5.5
95.01261	1.5
97.02811	1.3
97.06464	2.0
99.00769	1.9
101.02322	7.4
111.08060	1.0
113.02329	4.4
125.02367	0.9
125.09610	2.7
151.11148	2.6
157.38605	1.1
161.04442	1.4
163.11165	2.8
165.12785	5.9
169.12257	100.0
170.12534	3.2
171.10185	28.4
179.05563	1.5
179.14371	1.2
181.12215	1.6
183.13834	7.6
185.11723	3.2
193.15746	1.3
197.11771	7.5
199.13333	4.1
201.11227	1.6
209.11766	14.9
210.12180	1.8
211.13284	4.7
213.11278	2.0
215.12866	1.1
223.13327	2.3
225.11308	3.9
225.14864	1.3
227.12918	3.4
229.01266	1.5
235.08174	12.3
241.14436	1.3
243.02959	6.4
247.20644	3.9
253.09258	16.6
254.09406	1.2
258.01740	2.2
259.02502	5.9
271.02457	17.2
272.03256	44.4
273.03610	3.4
273.18497	2.1
283.02426	1.3
285.00580	5.4
285.03558	1.5
287.01965	31.7
288.02380	1.8
291.19653	59.9
292.19949	6.3
299.01950	4.3
300.02692	3.4
301.03476	5.1
304.02087	2.2
307.19104	1.7
309.20712	83.1
310.21030	10.4
313.03421	1.7
329.02975	1.5
330.03387	1.1
341.23260	5.0
382.47034	1.3
389.18021	1.0
405.21323	7.7
420.06946	13.8
420.91333	1.0
421.07602	3.2
445.71744	1.1
509.27679	1.7
527.28656	4.9
545.29504	2.6
667.27490	8.4
668.27344	1.2
688.44653	1.2
697.28473	2.7
741.40607	6.0
742.40588	1.6
759.41577	5.2
769.40460	1.3
787.31543	17.8
787.42914	14.5
788.30798	5.2
788.43384	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	787.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76493	0.7
57.03330	3.4
59.01254	8.8
61.98703	5.1
69.03328	6.8
69.23891	2.3
69.24309	5.0
71.01257	7.6
71.04894	2.7
72.78568	0.8
73.02824	2.5
83.01223	0.7
83.04926	1.8
85.02822	6.2
86.98698	0.8
87.00765	1.6
89.02346	3.4
95.04926	1.2
96.95913	1.2
97.02830	4.1
97.06490	1.9
98.20495	1.6
99.00742	3.6
99.44608	0.8
101.02314	6.0
106.57007	0.7
109.02843	1.0
109.06481	1.7
111.04433	1.0
113.02337	4.9
119.03465	1.0
123.08051	1.6
125.09585	5.2
127.07462	0.8
127.11137	1.3
137.09605	2.1
145.04990	0.8
149.09715	0.9
151.11197	2.5
153.09102	1.0
153.12782	2.0
158.61208	0.7
161.04497	1.7
161.09628	2.0
163.11243	2.1
165.12840	1.0
169.12254	0.8
171.10185	33.9
172.10530	2.2
177.12915	0.8
179.10660	5.3
181.12271	3.9
183.13916	1.4
185.11792	1.5
197.11768	62.7
198.12138	4.8
199.13377	2.3
201.11307	2.2
203.41019	0.7
207.10207	6.3
209.11746	10.7
210.12088	0.8
211.13313	7.6
221.11795	1.4
223.09911	1.3
225.11298	10.8
227.13060	1.2
229.14400	4.3
235.08179	2.0
239.12859	0.7
241.10844	3.2
241.14243	0.8
243.12350	5.5
253.09265	7.3
259.02481	1.0
271.02463	2.5
272.03305	4.6
283.02426	1.1
285.00668	1.2
285.03928	1.0
286.04922	0.9
287.01907	5.1
289.18079	1.8
291.19556	1.4
297.03870	1.5
304.02115	0.9
307.19202	5.6
308.19458	0.8
309.20642	1.3
325.07495	0.8
325.20160	3.7
327.21796	13.6
328.22168	0.9
341.23380	0.9
351.01077	0.8
407.19409	1.0
420.06931	1.4
461.20425	1.6
477.19617	1.1
479.21313	1.5
494.83987	0.8
543.28442	1.7
628.31995	1.0
667.27655	1.8
697.28174	1.4
697.38641	1.7
769.40369	2.7
787.41571	100.0
788.42108	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	787.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
59.01246	14.5
60.99177	1.3
61.98702	18.9
69.03310	1.5
71.01254	14.2
71.52092	1.5
71.52515	1.4
73.02808	1.7
73.63186	1.3
76.49089	1.3
77.12922	1.2
83.04874	1.4
85.02829	1.9
87.00770	5.3
88.98676	2.3
89.02336	5.0
89.72501	1.2
97.02824	3.0
97.06470	2.5
99.00751	2.6
101.02302	8.4
108.45019	1.1
109.06519	1.8
111.08044	3.1
113.02352	2.7
119.03407	1.8
119.08593	1.1
125.02359	1.8
125.09579	2.8
137.09612	1.6
145.04941	1.6
151.11142	2.9
153.09145	2.9
158.95686	1.4
161.04460	4.6
163.11160	2.2
165.12749	5.0
169.12256	100.0
170.12610	4.4
171.10178	34.1
172.10492	2.3
183.13797	4.7
185.11740	4.5
197.11787	24.0
198.12160	1.7
199.13310	3.9
201.11346	2.7
207.10156	3.2
209.11778	15.9
211.13312	13.9
213.11229	2.2
215.12816	2.0
221.10014	1.6
225.11232	4.2
227.12885	4.8
235.08151	17.6
239.45097	1.3
241.14325	1.9
247.20612	2.7
253.09221	22.6
258.01535	1.6
259.02597	1.6
271.02539	3.5
272.03253	8.0
285.00269	1.6
287.02014	5.6
287.75793	1.4
288.02768	1.5
289.18146	2.9
291.16348	2.0
291.19629	33.2
292.20105	3.9
307.19055	3.4
309.20688	74.0
310.21057	6.9
327.21832	2.7
341.23239	3.1
343.21466	1.4
349.47845	1.5
405.21469	7.3
420.07034	3.2
447.22528	1.6
527.28644	6.3
545.29730	4.7
667.27368	2.1
697.28577	1.5
697.40906	2.0
741.40674	11.0
759.41711	7.2
769.40411	2.0
787.29126	2.0
787.42755	11.7
788.42737	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	787.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54522	0.9
57.03296	1.0
57.35113	0.8
57.72153	0.8
59.01245	9.7
61.98702	7.3
63.14914	0.9
70.01725	0.8
71.01256	7.6
71.52324	1.5
73.02823	1.2
75.00780	1.0
78.95756	1.4
83.01246	1.5
83.04898	1.5
85.02818	2.8
87.00742	4.8
89.02322	5.3
95.54521	0.9
97.02863	1.6
97.06470	2.1
99.00696	1.2
101.02327	8.8
109.06477	1.1
111.00771	1.8
113.02320	3.7
119.03390	1.5
125.09600	1.9
141.09189	0.8
145.04973	1.4
151.11121	1.2
161.04434	3.1
163.11172	2.2
165.12756	2.8
169.12254	100.0
170.12601	5.5
171.10170	23.5
171.11630	1.3
172.10570	1.0
181.12257	3.7
183.13779	1.7
185.11743	4.5
193.12292	1.9
195.13753	1.9
197.11745	3.7
199.13312	3.0
201.11261	7.7
207.10255	1.2
207.75731	0.9
209.09891	1.6
209.11783	23.6
210.11908	1.0
211.13260	4.9
221.15445	2.9
225.11244	1.4
227.12794	5.1
235.08179	14.8
241.14429	1.3
247.20654	2.6
253.09258	16.4
263.20105	1.8
273.18607	2.5
281.21112	1.2
291.19650	28.4
292.20065	2.4
293.21252	5.0
307.19080	1.2
309.20700	63.8
310.20944	5.1
311.22443	1.5
323.22266	3.4
341.23254	2.4
400.39771	1.0
405.21353	7.4
431.18716	1.4
527.28552	5.9
545.29846	5.7
546.29498	1.2
697.41638	25.6
698.42175	7.3
699.39075	1.6
723.40350	1.7
741.40253	10.2
742.41705	1.9
759.41827	5.8
760.41998	2.2
787.41113	8.3
788.41351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.7
61.98701	40.1
62.61991	1.3
67.01531	1.4
69.34393	12.2
71.01251	19.4
72.74411	1.3
73.02811	4.0
78.95768	3.0
79.95601	3.7
80.96377	1.9
83.01230	1.4
85.02827	6.6
86.53242	1.4
87.00742	3.3
89.02339	8.4
89.02837	1.6
95.01252	1.7
96.95892	19.4
97.02861	1.4
98.20503	2.3
101.02319	8.1
106.06495	3.7
107.03641	3.4
108.02047	1.6
109.02782	1.5
113.02341	6.4
117.96128	1.3
118.97865	1.3
119.56020	1.5
120.08086	3.8
121.02829	4.0
122.05993	17.2
134.06015	35.0
135.06403	1.8
152.01035	2.7
152.07031	6.1
158.02409	1.7
175.03868	1.8
179.34128	1.3
190.05008	5.6
195.06468	1.8
209.04486	2.2
209.11720	2.2
212.31715	1.6
221.10800	6.8
223.08661	2.7
235.08507	1.8
237.10248	2.8
239.11798	3.3
249.10294	5.5
250.07185	1.7
250.10881	1.8
251.08313	2.7
251.11891	4.5
252.08928	1.7
253.09418	1.4
261.10376	2.5
263.08203	5.0
263.11792	1.3
264.08932	5.4
265.09842	4.7
269.12796	1.6
276.08875	2.8
277.09756	8.3
278.10498	2.4
279.11429	11.7
280.11789	1.8
281.12921	1.6
283.02304	2.8
291.11450	8.0
292.12115	1.4
293.12784	1.6
295.10635	2.5
296.11362	2.1
305.09323	17.0
305.17029	1.4
306.09625	1.7
307.10828	2.5
309.08792	1.7
312.14734	1.7
323.10300	2.6
327.12482	2.9
337.11847	4.4
342.16168	4.1
357.13232	1.6
360.16913	1.6
372.17126	3.3
384.17099	2.3
386.14807	2.2
412.16479	2.6
426.18262	2.8
428.15802	2.3
452.15698	1.5
470.17554	1.7
472.18741	3.1
592.22577	3.4
632.22479	10.5
633.22717	3.9
664.25122	100.0
665.25574	18.9
667.27972	2.2
668.28345	2.0
713.28143	6.9
714.27832	1.6
727.29950	2.5
755.29443	33.2
756.29755	7.1
787.31628	53.2
788.32349	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	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
59.01253	9.2
67.01764	1.0
68.99683	1.7
69.03341	0.9
70.99761	1.3
71.01254	11.1
72.99179	4.0
73.02823	1.1
75.00747	14.1
78.33650	0.5
78.98383	0.7
81.03321	0.7
83.01268	0.7
84.02040	0.6
85.02824	15.5
87.00757	4.4
89.02320	2.6
93.03320	1.6
95.01255	4.1
95.13095	0.6
99.00754	7.1
103.00246	1.3
103.47578	0.6
109.02826	1.3
111.00768	0.8
111.04397	1.0
113.01530	0.9
113.02328	17.8
115.00266	1.8
117.01843	2.7
120.56808	0.6
121.02847	71.0
122.03212	2.5
129.01836	1.6
142.73691	0.6
175.02425	1.9
189.03973	0.9
229.04977	0.6
231.05086	5.1
240.91695	0.6
249.06126	42.5
250.06502	2.0
296.29916	0.6
353.08627	0.9
371.09830	100.0
372.10223	8.4
755.06244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
61.98701	100.0
66.82988	0.2
67.77942	0.2
71.51496	0.3
75.61843	0.2
78.95780	0.5
80.96413	0.2
152.99525	0.4
194.52437	0.2
211.13286	0.4
218.22000	0.2
253.09346	0.2
254.74030	0.2
277.21704	0.3
300.60114	0.2
440.58014	0.2
445.23660	0.2
772.35895	0.2
787.39355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01245	1.3
61.98703	7.4
64.49440	0.2
71.01250	0.3
97.06468	0.2
98.19780	0.5
101.02316	0.2
107.02818	0.2
113.09608	1.7
119.04807	0.2
120.98149	0.2
154.96100	0.2
171.10042	0.2
172.23488	0.2
177.12764	0.4
179.14285	1.0
181.12225	0.4
195.13840	14.3
196.14163	0.7
209.11707	0.3
251.23721	0.4
253.09222	0.4
253.21675	2.2
254.22069	0.4
271.36926	0.2
277.21732	13.4
278.22037	1.4
293.21313	0.2
295.22772	100.0
296.23126	11.0
418.94724	0.2
516.46564	0.2
588.51239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.4
57.03308	1.7
58.00460	0.5
59.01245	7.3
61.98700	17.4
67.01791	0.4
69.03326	6.2
71.01254	10.1
71.04899	2.1
71.52798	0.3
72.99178	0.6
73.02821	1.5
80.02528	0.5
81.03374	0.9
83.01252	1.3
83.04903	3.1
84.02034	0.8
84.71117	0.3
85.02814	2.8
87.00723	1.7
89.02325	3.4
95.01266	1.0
95.04899	1.4
96.95879	0.5
97.02835	1.3
97.06456	2.2
99.00753	1.0
99.04384	0.5
99.08019	0.5
101.02324	5.8
108.02052	0.4
109.02823	0.6
109.06465	1.0
111.07994	0.8
112.05164	0.4
113.02324	3.6
115.07510	0.5
119.03378	0.9
121.02803	0.7
121.06496	0.5
122.03750	0.4
123.04424	0.8
123.08057	2.4
125.09617	5.7
127.07552	2.6
127.11123	0.4
135.08034	1.3
137.09624	1.0
139.07524	1.0
140.96289	0.4
141.01706	0.4
141.09148	0.4
149.09592	0.8
151.07622	0.4
151.11194	4.1
153.09131	3.9
153.12778	2.1
155.10678	1.3
161.04453	1.5
161.09613	4.6
163.11169	1.6
165.09119	0.4
165.12782	0.9
171.10187	5.9
172.10503	0.6
178.09891	1.3
179.05563	0.4
179.10689	9.4
180.11049	0.5
181.12228	1.0
185.11760	6.6
191.10744	0.9
191.14343	0.6
195.10155	2.0
197.11755	78.1
198.12082	4.8
199.13351	0.8
207.10257	1.3
209.11769	20.8
210.12155	1.6
211.13359	0.8
213.11290	0.5
219.10190	0.4
221.11778	1.2
223.09698	1.4
225.11295	2.3
227.12827	0.6
235.08218	1.0
236.10397	0.4
237.11365	0.4
238.12039	0.9
239.12747	0.6
241.10782	3.5
245.19081	1.2
251.16618	0.5
253.09267	3.6
256.13153	0.6
263.20190	0.4
279.19592	0.6
281.21332	0.4
289.18106	4.7
290.18369	0.4
291.19562	0.9
305.17691	0.6
307.19128	11.6
308.19482	1.1
309.20743	1.2
313.60815	0.4
325.20157	3.0
327.21780	0.6
341.23401	0.5
343.21445	0.4
459.18839	1.1
477.19821	2.8
478.20279	0.4
543.27930	1.1
623.34052	0.5
654.32098	0.6
723.39417	1.1
767.38727	6.8
768.38690	1.1
785.39661	100.0
786.40057	22.3
786.54834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	1.7
59.01247	18.6
61.98699	32.3
70.59643	1.4
71.01251	19.7
71.52139	1.6
72.99139	2.1
73.02806	6.5
75.00752	8.2
78.95787	2.1
80.04944	1.6
83.01234	2.2
85.02805	7.2
87.00739	3.0
89.02287	5.4
93.97305	1.4
93.97948	1.7
94.50900	1.8
96.95862	2.2
99.00728	1.9
101.02357	7.2
106.06475	5.7
107.03678	2.0
108.04416	1.5
108.09648	1.3
108.91122	1.5
113.02323	5.9
118.23311	1.4
122.05968	5.5
132.04419	4.3
134.06007	37.4
150.17654	1.7
152.07048	4.8
158.02319	2.2
160.03918	4.8
166.13707	1.6
170.94533	1.5
171.10094	4.9
190.04976	6.2
209.11783	2.3
213.10356	7.4
221.11809	3.7
225.10318	3.1
227.11803	2.3
239.11885	3.4
251.11766	2.8
253.09247	2.8
265.09756	1.7
267.11331	8.7
277.09824	2.4
285.12372	4.6
305.09094	2.1
309.20511	3.2
313.13416	1.9
315.19125	2.0
316.14304	4.1
324.11502	2.1
327.13425	4.2
327.21820	2.2
328.10825	2.1
328.14420	2.2
337.11688	3.9
340.10925	2.4
340.14514	11.7
342.12274	2.2
354.12350	2.1
356.13940	4.2
357.14474	2.4
358.15405	3.3
368.14172	3.1
370.15540	1.6
384.13422	7.3
385.13782	1.9
396.13495	4.1
397.13580	2.1
398.15158	8.3
400.16367	3.9
410.15131	4.0
412.16431	3.1
425.20309	1.8
426.14526	3.5
438.14651	3.0
491.20401	2.2
505.22614	2.0
533.21588	1.8
545.21844	1.8
573.21417	4.8
591.22253	4.3
592.22614	3.3
685.29364	2.3
711.26654	3.6
712.26965	5.0
753.27722	100.0
754.27979	22.9
785.30237	70.0
786.30377	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	781.4412
Annotation	lugdunin
Peak:m/z	Relative Intensity
62.47737	1.1
71.01250	6.4
73.02816	1.1
78.24760	1.3
78.78082	1.0
78.98457	6.6
79.95597	10.7
80.96389	73.6
85.02821	3.0
86.10365	1.2
87.00737	2.7
89.92500	0.9
92.43732	1.0
94.97958	17.2
96.95905	1.2
97.02818	1.5
98.20580	1.8
101.02329	2.1
106.97971	3.1
122.97459	3.8
125.02316	3.2
134.97423	5.0
136.99036	1.9
148.99026	6.4
152.98543	6.8
164.98508	12.5
206.99582	3.9
211.13350	1.5
225.00697	21.0
255.23393	1.3
525.20300	2.0
537.27692	2.5
749.41119	1.2
781.44098	100.0
782.44385	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	782.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
61.98703	100.0
70.38358	0.5
71.01264	0.3
78.95790	0.4
79.95617	0.3
80.96399	1.4
81.29654	0.2
94.97983	0.4
97.43337	0.2
98.19875	0.2
105.13746	0.2
120.93645	0.2
134.97566	0.2
164.98569	0.3
167.93375	0.2
223.13313	1.0
224.13724	0.6
225.00751	0.3
225.14059	0.4
227.76111	0.2
277.21725	0.5
278.22125	0.8
279.22501	0.3
323.43130	0.2
364.28790	0.2
782.40894	0.9
783.40906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01255	14.9
61.98706	1.3
69.03325	0.7
70.84390	0.9
70.84709	1.0
71.01249	5.2
71.04873	1.0
73.02827	1.2
78.98466	0.9
79.95621	1.3
80.96395	6.0
83.01248	1.0
83.04907	0.8
85.02821	1.0
86.95387	0.6
87.00766	0.9
89.02321	1.9
90.94458	0.6
91.81998	0.6
94.70397	0.6
94.97982	1.6
97.02819	6.8
97.04146	0.6
97.06477	0.9
99.00752	11.4
101.02299	3.2
107.67258	0.5
109.06453	1.4
110.03638	1.0
113.02334	1.8
119.03355	0.8
125.02341	1.9
125.09598	2.4
135.08018	0.8
136.05225	1.3
136.23120	0.6
142.02634	2.6
161.04407	1.2
161.09627	1.5
163.11182	8.5
164.98531	1.2
169.07841	0.6
172.51411	0.7
181.12268	16.7
182.73123	0.6
197.11765	0.6
199.13353	2.0
203.16837	0.6
207.10202	50.2
208.10490	2.0
223.13292	0.8
225.00716	1.9
225.11270	100.0
226.11572	6.0
235.08134	2.1
243.12352	11.6
253.09227	4.2
263.20120	0.8
267.12350	0.8
277.21716	86.5
278.22021	6.3
281.24713	0.7
292.32391	0.6
292.42969	0.6
299.15146	0.7
317.15912	0.8
361.33997	0.7
407.09973	0.7
443.19150	4.4
461.20264	39.2
462.20660	4.5
528.64557	0.7
721.41656	28.9
722.42078	7.1
781.40576	8.7
782.40833	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	12.8
61.98701	1.5
70.80553	1.5
71.01260	3.9
71.04896	0.8
72.00427	0.6
73.02816	1.4
78.98471	0.9
79.95594	0.8
80.96388	6.8
83.01250	0.6
85.02828	1.3
87.00763	1.4
89.02316	1.4
94.97971	1.1
97.02838	3.7
97.06459	0.9
99.00762	7.5
101.02332	2.4
102.18546	0.6
110.03605	0.7
113.02315	1.7
122.97442	0.6
125.02308	0.8
125.09583	1.7
134.97456	0.6
136.05206	0.8
142.02573	1.0
152.98532	0.9
161.04453	1.3
163.11189	3.9
164.98540	1.2
181.12262	9.1
199.13451	0.7
207.10205	24.0
208.10553	1.0
225.00639	2.2
225.11276	53.6
226.11653	3.1
235.08273	2.9
243.12367	6.9
253.09233	3.4
259.20532	0.9
277.21713	100.0
278.22076	9.9
340.42209	0.7
403.07022	0.7
420.95578	0.6
443.19241	4.6
461.20193	6.1
462.20715	0.6
721.41589	19.8
722.42365	4.9
781.40564	8.0
782.40997	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	781.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.1
61.98709	1.8
69.03334	0.1
71.51991	0.3
72.99183	7.7
73.15719	0.1
75.00750	5.1
87.00741	0.4
88.64189	0.2
103.00253	1.3
103.03905	0.6
104.03402	0.3
105.01820	100.0
106.02146	1.4
113.57979	0.2
116.32971	0.2
159.09816	0.2
185.11740	0.2
196.74335	0.2
227.60645	0.2
271.20023	0.2
289.17841	0.2
781.40735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
60.99175	17.5
61.98700	5.5
69.16508	1.6
71.01251	0.3
72.99188	0.3
75.00732	0.2
87.00755	2.3
88.00281	2.4
88.01089	0.3
88.98675	100.0
89.02312	10.7
89.99030	1.0
92.18522	0.2
94.14967	0.1
98.19719	0.2
101.02319	0.3
113.02322	0.2
160.55969	0.1
293.21188	2.1
294.21664	0.2
323.22083	0.2
397.13446	0.9
415.14688	0.9
471.96069	0.2
511.35580	0.2
684.09662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01250	6.1
60.99177	16.6
61.98701	2.9
63.53143	0.3
69.03326	0.4
71.01258	5.1
71.52158	0.5
72.99188	1.3
73.02811	0.9
79.05341	0.3
83.01263	0.5
85.02827	1.0
87.00761	2.9
88.00286	2.2
88.98679	100.0
89.02316	11.7
89.99014	0.8
95.01235	0.3
97.02834	0.8
99.00795	0.4
101.02332	4.0
111.86082	0.3
113.02350	1.5
119.03360	1.1
125.02348	1.0
125.09611	0.4
161.04465	0.8
165.12798	0.7
176.35207	0.3
179.05464	0.5
197.36995	0.3
208.84132	0.3
211.13313	0.4
235.08159	0.9
273.18649	0.7
291.19669	8.9
292.20047	0.9
293.21124	1.4
305.08698	0.4
308.19946	0.6
323.22253	17.0
324.22607	1.1
397.13470	11.7
398.13983	0.9
415.09103	0.6
415.14621	8.3
625.59692	0.3
721.36444	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	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63885	0.3
56.61239	0.3
57.03319	0.6
59.01250	19.4
60.65108	0.3
65.58230	0.2
68.99686	0.4
69.03320	1.7
70.37605	0.9
71.01257	3.3
71.04905	0.8
72.99175	0.4
73.02811	0.4
78.06511	0.3
80.96400	1.2
85.02828	1.1
87.00774	0.6
89.02322	2.7
89.64302	0.3
94.97987	0.3
95.04893	0.5
101.02330	3.0
109.68340	0.3
113.02350	1.9
119.03402	0.7
122.67741	0.3
125.09660	0.4
145.04895	0.3
149.09644	0.4
153.09113	0.3
158.40965	0.3
161.04430	1.6
161.13263	0.3
167.10675	3.1
175.55383	0.4
177.12769	0.4
179.05527	1.1
179.10663	0.7
179.14355	2.9
188.27094	0.3
195.13843	8.2
196.14137	0.5
205.12276	9.4
206.12636	1.1
210.34911	0.3
223.13354	100.0
224.13710	6.5
235.08183	2.0
239.73625	0.3
251.20145	0.9
253.09282	7.7
254.09636	0.4
259.20294	0.4
275.20148	0.4
277.21725	67.2
277.58304	0.3
278.22052	6.5
327.55817	0.3
344.12088	0.3
371.60449	0.3
413.21713	0.4
441.21219	2.4
459.22388	13.4
460.22745	2.0
513.30878	0.3
647.56641	0.3
719.43781	1.7
779.39612	1.2
780.39587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.7
59.01255	8.4
61.66184	1.5
61.98698	41.9
67.40424	1.5
67.47527	1.7
69.47361	12.2
71.01257	10.0
72.99184	2.6
73.02821	4.0
78.95781	21.0
83.01272	2.4
85.02814	3.8
87.00748	2.5
89.02309	5.4
96.95874	3.3
96.96826	2.0
97.06456	2.7
98.95480	1.9
99.00766	6.9
100.00252	2.3
100.98730	2.3
101.02323	100.0
102.01826	5.9
102.02615	1.8
104.71453	1.6
111.08044	1.7
113.02354	3.5
117.32260	1.7
119.03389	2.8
119.53113	1.6
125.02332	2.2
151.11209	13.5
152.99475	7.4
161.04482	1.8
169.12256	64.0
170.12581	4.1
171.10205	4.2
197.11673	10.9
211.13329	5.1
213.11191	8.4
213.54068	1.5
229.14336	2.4
235.08192	3.5
253.09268	4.1
277.21790	14.4
291.19604	6.4
293.21329	3.3
309.20612	5.1
327.21851	2.4
397.13519	24.1
415.14548	9.7
431.19550	3.2
449.20203	2.5
465.22742	2.6
477.29422	1.7
477.78714	1.7
741.40656	90.4
742.40851	19.9
777.35461	12.0
778.37634	4.2
807.01862	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	777.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.2
59.89536	0.8
61.98706	6.1
69.28021	7.9
71.01253	20.1
72.99191	1.2
85.02825	3.1
87.00719	1.5
88.42594	0.9
89.02311	22.1
93.03334	3.3
95.01274	1.3
95.04848	1.3
96.95872	1.0
98.20588	1.9
101.02318	11.8
105.03338	3.3
108.02060	1.3
109.02837	1.3
113.02334	7.6
119.03381	8.7
120.01131	5.1
121.02817	3.2
122.03633	8.6
123.04431	1.1
131.03380	1.4
133.02843	3.6
136.01549	1.3
143.03387	2.4
147.04376	1.2
149.02339	16.0
149.04424	1.1
150.03123	63.8
151.03944	9.7
155.49675	0.9
161.02347	40.6
161.04366	5.8
162.02744	2.2
164.04674	4.6
165.01808	1.7
165.05478	69.5
166.02596	1.2
166.05780	4.9
172.68611	0.9
176.04709	23.0
177.05176	2.9
179.03401	70.6
179.05484	11.1
180.04121	7.8
181.05008	2.2
186.18335	0.9
187.04002	1.0
191.07092	8.7
194.05775	69.2
195.06549	73.8
196.06863	4.5
209.08133	100.0
210.08504	7.1
243.55034	0.9
257.71133	0.9
283.02423	3.2
306.84576	1.0
318.23242	0.9
339.08704	1.7
342.10974	1.5
353.10339	1.2
354.11142	4.3
357.09421	1.5
357.13443	19.8
358.13727	1.5
369.13443	14.8
370.13806	1.6
405.15573	3.3
437.58551	0.9
473.73840	1.0
497.47931	0.9
501.35660	0.8
519.18860	5.9
520.19067	1.1
557.56549	0.9
567.20789	14.0
568.21344	2.9
577.03973	0.9
579.22321	7.3
580.22040	1.4
591.78717	0.9
606.01917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37277	0.6
59.01235	3.5
61.98707	3.3
69.26995	0.5
71.01245	4.6
71.52325	0.7
72.99171	0.7
74.07237	0.5
84.02067	0.8
85.02834	2.0
87.00763	1.1
89.02335	4.3
95.01271	0.8
96.95901	7.4
96.96836	0.7
98.02354	0.9
98.95454	1.0
101.02325	1.8
108.02055	2.6
109.02840	4.3
110.03192	0.7
113.02344	2.1
119.03387	1.9
119.04939	0.8
120.01172	1.4
121.02890	1.6
122.03600	1.8
123.00817	2.8
123.04427	2.4
124.01556	2.4
125.02258	0.9
135.04396	1.0
136.01572	12.5
137.02321	3.4
139.00232	1.1
139.03889	5.2
143.03427	1.1
143.04866	1.4
145.02829	1.7
146.03638	6.1
147.04391	1.0
149.02327	0.9
150.03116	1.0
151.00276	8.8
151.03911	16.1
151.05064	1.2
152.01025	1.3
152.04289	0.9
159.04407	1.3
160.05223	3.1
161.02345	2.5
161.04659	1.2
161.05937	5.5
162.03162	1.0
163.03888	2.0
164.04752	3.4
165.01825	2.1
165.05467	1.2
166.02628	25.2
167.03253	2.5
171.04451	0.9
172.05214	5.5
173.02373	4.0
173.05969	1.6
174.03050	2.0
175.03909	5.2
175.07524	1.4
176.04738	2.3
177.01849	1.3
177.05478	0.9
179.03380	1.6
179.05547	1.5
179.07066	4.3
180.04199	2.1
181.04984	36.9
182.05359	2.6
187.03864	1.0
187.07649	1.0
188.04701	2.0
189.05495	12.4
190.02728	0.9
190.06267	9.5
191.03406	9.4
191.07045	1.2
192.04118	1.3
194.05717	1.2
195.06609	3.1
203.03387	1.6
205.05003	9.2
205.08557	2.7
206.05769	9.9
207.06570	1.7
209.08139	0.8
218.05663	0.8
220.07431	5.8
221.08138	29.5
222.08488	2.4
225.07617	2.2
233.08125	1.4
238.06355	1.1
251.09212	1.3
253.08447	0.6
254.05902	0.7
266.05914	1.9
277.04977	1.5
278.05869	1.6
279.06625	2.4
281.05093	1.2
281.08191	2.2
282.05368	5.4
282.08475	0.8
283.02472	0.8
293.04666	1.0
293.08142	1.4
294.05408	5.9
295.06094	0.8
295.09830	0.6
296.06915	1.9
296.10464	1.3
297.07669	9.8
298.04691	0.7
298.08182	1.5
308.06906	1.0
309.07684	9.9
309.10980	1.2
310.08170	1.1
311.05692	1.1
311.09219	7.2
312.06302	2.4
312.10089	2.7
321.83054	0.7
323.09381	1.4
324.10062	5.9
325.10434	1.5
326.08203	0.8
326.11453	4.2
327.08694	5.1
327.12372	8.2
328.09167	0.7
328.12830	0.7
339.08609	1.0
339.12332	4.6
339.22076	0.7
341.10199	1.7
342.11041	29.1
343.11472	4.4
354.11200	1.7
356.12640	1.5
357.10226	3.8
357.13428	100.0
358.09586	0.6
358.13736	11.0
369.13428	5.9
370.13931	0.7
371.14938	6.0
372.11783	4.1
373.12833	1.5
387.14493	46.8
388.14859	6.8
401.15967	2.2
491.19434	1.1
567.22314	23.3
568.22772	4.5
579.22119	3.0
597.23376	78.5
598.23755	16.9
615.24744	1.4
729.26324	0.8
777.25024	0.7
777.39423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.9
61.98713	1.7
69.36771	2.4
69.37189	4.6
71.01257	14.2
73.02828	1.7
78.31995	0.8
78.95753	0.8
82.39159	0.7
85.02814	3.7
87.00735	2.1
89.02317	15.5
93.03350	2.2
95.01272	1.7
95.04909	0.9
98.20503	1.8
101.02324	9.6
105.03342	4.4
108.02044	1.7
109.02883	0.7
113.02341	7.2
119.03397	8.6
120.01167	3.8
121.02852	3.0
122.03659	5.1
125.02337	0.9
133.02853	3.1
136.01579	0.9
137.02309	1.4
143.03395	2.4
146.03636	4.7
147.04413	1.2
149.02344	15.8
149.04286	1.1
149.84630	0.8
150.03140	36.1
151.03929	14.5
161.02354	47.2
161.04378	6.7
161.05849	1.8
162.02788	2.9
163.03955	0.9
164.04706	7.7
165.01871	6.1
165.05486	34.6
166.05841	1.5
175.03802	0.8
176.04710	21.8
177.01857	1.0
177.05293	0.8
179.03427	83.8
179.05498	9.4
179.07011	4.2
180.04083	8.8
181.04781	1.3
191.07069	9.8
192.07452	1.1
194.05783	71.9
195.06549	37.3
196.06953	2.1
209.08141	100.0
210.08488	5.8
221.07979	0.8
225.07655	5.1
243.15169	0.7
246.68866	0.8
283.02609	0.8
292.28641	0.7
342.11102	1.9
357.13416	44.2
358.13879	4.7
387.14404	3.0
405.15326	4.0
519.18835	8.5
520.18689	1.6
567.20844	21.8
568.21216	4.2
776.46729	0.8
777.30066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27134	1.3
57.79950	1.2
59.01252	21.7
61.98700	6.0
71.01257	17.2
71.52454	1.3
72.99162	1.6
73.33301	1.3
76.22255	1.3
85.02840	3.8
85.99873	1.7
87.00742	1.5
88.98673	2.9
89.02308	13.4
95.01236	2.3
96.95932	2.5
101.02320	10.3
109.02818	3.6
109.54556	1.4
113.02349	6.7
118.97982	3.3
119.03416	7.1
123.00789	1.6
136.01575	12.7
137.02321	17.4
143.03450	1.4
149.02362	5.4
150.03146	2.6
151.00330	3.4
151.03931	12.2
162.03137	6.6
163.03943	1.8
165.01845	96.0
166.02603	11.5
167.74466	1.7
175.03952	1.6
177.01849	27.2
177.05450	5.8
178.02469	1.5
179.03426	13.5
179.05496	3.9
180.04211	61.4
181.04968	14.0
190.02632	1.6
192.04216	22.0
193.04778	2.5
194.05865	2.7
195.02847	3.1
195.06558	78.3
196.06976	3.0
207.06566	36.2
208.03661	2.1
208.06929	2.0
210.05269	15.3
223.06084	3.1
225.07637	100.0
226.07993	6.3
271.02283	2.3
283.02353	8.8
284.02835	2.0
357.09708	3.4
357.13504	6.2
372.12067	3.0
387.14566	21.2
403.07172	2.1
613.22729	15.4
614.23267	2.5
760.32709	1.4
775.29193	5.1
776.29919	1.8
785.09674	1.8
804.69012	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	775.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57635	2.9
56.11697	2.9
59.01246	30.1
61.98687	8.4
68.99690	7.9
70.54233	5.8
71.01257	21.6
72.99197	4.3
85.02827	5.2
89.02316	30.0
95.01257	3.6
96.95919	3.7
101.02326	12.4
105.99191	2.8
108.02047	14.4
109.02809	4.6
113.02325	8.1
118.97984	3.7
119.03403	10.8
121.02853	6.6
122.03636	13.9
122.04459	2.9
123.00777	7.7
123.04401	9.5
125.02375	3.7
134.03590	3.9
135.04414	3.6
136.01553	9.8
137.02324	5.4
138.03131	10.8
139.00281	3.4
149.02336	18.6
150.03127	77.5
151.00296	6.7
151.03957	15.3
152.01031	11.1
161.02385	19.4
162.03175	23.6
163.03899	6.0
164.04704	6.5
165.01866	7.3
165.05486	100.0
166.02618	21.1
175.03943	6.6
176.04729	6.8
177.01801	11.4
177.05479	15.8
178.02620	9.9
179.03442	26.2
179.04839	3.7
179.05598	3.2
180.04146	10.7
181.04987	23.1
191.07103	4.8
192.04242	11.4
192.64719	3.0
193.04993	35.9
194.05772	19.5
195.06558	87.0
196.06836	6.3
207.06514	15.3
209.08113	35.4
225.07668	7.6
235.60658	3.7
260.31052	3.3
283.02396	18.6
317.38477	3.0
326.50876	3.3
343.11801	12.9
344.12259	3.2
355.11703	5.9
387.14307	10.8
388.11456	4.1
403.06543	6.0
403.13763	22.8
417.15573	24.9
418.15848	3.7
452.01187	3.1
565.19904	13.5
613.22949	20.0
614.23187	5.6
745.26593	3.4
747.22241	3.5
747.40680	3.6
775.29810	14.4
776.29315	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	773.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
57.03308	0.4
58.00452	1.3
58.45801	0.3
59.01250	27.0
60.01571	0.3
66.58993	0.3
66.59904	0.3
69.62034	0.9
69.62460	1.0
71.01254	18.8
72.01549	0.4
72.99179	1.6
73.02827	0.5
82.86745	0.2
83.01237	1.0
83.04889	0.3
85.02819	4.5
87.00744	0.9
89.02314	18.3
90.02637	0.3
95.01260	1.7
99.00779	0.4
99.07996	0.3
101.02322	13.3
108.63583	0.3
113.02322	7.5
113.03070	0.5
113.09573	0.3
119.03391	8.2
131.03400	0.7
136.07588	0.4
141.09102	2.3
143.03355	1.1
143.04414	0.3
149.04446	0.5
159.10165	3.7
161.04465	0.3
179.05533	1.2
198.27155	0.3
321.15524	100.0
322.15866	7.4
451.32990	0.8
472.38336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.4
61.98711	10.0
70.85733	16.2
71.01259	8.7
75.05112	5.6
109.02869	5.5
111.24512	5.9
116.04912	10.8
137.09644	7.4
146.80107	5.4
151.00304	16.7
167.03394	7.4
229.82799	6.1
239.12958	12.5
239.63818	6.3
259.02411	15.9
262.90298	5.8
271.02475	29.4
272.03256	51.5
273.03772	12.7
281.13876	6.3
283.02606	10.5
285.04156	34.8
286.04837	24.4
296.03186	14.0
297.03983	21.2
299.02072	8.1
301.03394	22.0
313.03503	15.5
325.03464	15.9
331.04611	15.9
343.04520	9.1
355.04694	28.6
373.05487	6.3
385.05746	6.7
400.08075	7.3
403.06613	7.3
412.08328	35.4
413.08923	9.9
424.08389	7.3
426.09567	8.4
442.09302	11.2
454.09399	15.8
472.10294	47.0
484.10361	16.1
502.11441	31.3
535.11884	5.6
592.14667	40.6
652.16742	93.2
653.16974	23.8
682.17639	60.7
683.18018	6.8
712.08966	7.4
754.19696	27.6
755.19824	7.3
766.89362	6.2
772.20959	100.0
773.21368	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	773.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
58.00468	0.5
59.01250	6.9
61.98704	11.8
64.38181	0.3
68.99689	0.3
69.03313	1.8
71.01256	5.8
71.51725	0.6
72.99171	0.5
73.02811	1.4
75.00735	0.5
78.95765	0.3
80.02554	1.4
81.03341	1.4
83.01261	0.7
83.04900	5.1
84.02065	0.9
85.02826	7.1
86.93176	0.4
87.00751	1.7
87.42152	0.3
89.02316	2.9
93.03279	0.4
95.01263	0.7
95.04900	0.9
96.95891	1.2
97.02815	1.1
97.06450	2.1
98.99977	0.3
99.00749	0.4
100.63654	0.3
101.02322	4.5
108.02011	0.4
108.88194	0.3
109.02837	0.5
111.00742	0.4
111.08093	0.4
113.02332	2.4
113.48160	0.3
113.65018	0.3
119.03403	1.3
119.08629	0.6
123.08015	0.5
125.02312	0.8
125.05988	0.5
125.09601	0.8
127.11180	1.1
133.05014	0.4
135.08090	0.7
137.09560	2.2
141.12732	0.4
143.03375	0.6
145.04967	0.6
153.09151	0.4
155.10669	0.6
161.04457	2.2
163.11182	3.8
165.12750	3.0
167.10635	0.6
169.12263	1.0
171.10188	21.4
172.10580	1.6
177.12866	0.5
179.05559	1.1
181.12288	1.2
183.13817	2.1
185.11810	2.1
191.10724	0.7
193.12248	0.5
197.11743	1.1
199.13335	3.6
201.11267	1.5
209.11778	100.0
210.12119	6.4
211.13345	10.0
212.13708	0.5
221.11748	1.6
225.11389	0.6
227.12843	16.2
228.13187	1.5
229.14436	7.3
230.14713	0.5
235.08205	7.8
236.08681	0.5
239.12711	0.7
253.09259	18.9
254.09598	0.8
285.04031	0.4
291.19534	2.9
309.20688	7.2
310.20984	0.4
325.20038	0.9
327.21756	65.3
328.22113	6.7
343.21332	0.7
445.20734	1.5
463.21973	0.9
519.32806	1.1
537.34106	0.6
545.29401	1.6
563.30737	2.6
564.30896	0.5
760.44843	0.4
773.29480	0.7
773.41968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01244	6.1
61.98698	7.1
62.95294	0.5
69.03323	1.2
71.01249	6.6
73.02808	1.1
78.95780	1.2
83.01257	0.7
83.04917	0.9
85.02815	1.3
87.00748	1.9
89.02307	3.3
90.55511	0.5
95.04878	1.0
97.02830	1.0
97.06451	1.4
99.00790	0.8
101.02299	3.6
109.06509	0.9
113.02348	2.1
113.09621	0.8
115.07542	1.2
119.03394	0.9
125.06031	0.6
139.11186	0.6
143.03429	1.1
145.04956	1.0
152.99428	0.6
161.04439	1.5
163.11143	1.3
165.12801	2.5
167.10709	1.2
167.14325	2.1
171.10172	2.3
179.05499	0.8
181.12241	2.3
183.13823	8.1
185.11732	5.2
193.12248	2.3
195.13782	1.9
197.11778	0.7
199.13284	1.4
201.11320	0.6
203.55516	0.6
207.10213	1.5
209.11755	4.0
211.13326	100.0
212.13675	5.9
213.14951	0.9
221.15359	1.8
225.11317	2.0
227.12761	0.9
229.14307	1.0
235.08221	4.2
239.12836	0.5
247.20659	2.4
247.77122	0.6
253.09238	10.1
255.15968	1.5
273.18646	1.9
281.21179	1.2
289.18027	1.6
291.19641	27.6
292.19965	3.2
293.21191	2.7
307.19211	1.7
309.20682	71.2
310.21109	5.7
311.22168	1.5
323.22162	0.8
327.21722	1.0
367.51730	0.6
447.22202	5.2
448.22507	1.4
467.31461	0.6
481.29022	0.6
485.32825	1.0
503.33676	0.9
527.28674	4.8
545.29614	14.4
546.30029	1.6
597.04614	0.6
597.32422	0.7
721.41357	1.7
739.42688	10.3
740.43243	2.0
771.40955	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	770.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60273	0.1
61.98701	100.0
62.98402	0.2
65.14471	0.1
70.43300	0.1
71.10453	0.3
86.01564	0.1
91.38432	0.1
113.27525	0.1
114.36780	0.1
145.64742	0.1
154.66086	0.1
203.84639	0.1
209.11848	0.2
269.22159	0.1
327.21954	0.2
506.18698	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	770.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98408	0.2
62.99147	0.1
72.18083	0.1
88.86851	0.1
96.95886	0.1
109.39028	0.1
134.93578	0.1
137.07771	0.1
158.43921	0.1
160.93982	0.1
183.13860	0.3
209.11746	0.2
225.11325	0.1
227.12868	0.4
301.18143	0.1
318.30920	0.1
361.82309	0.1
790.71826	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	770.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
61.98704	100.0
62.98396	0.1
71.01260	0.2
78.95808	0.1
83.04916	0.1
83.61578	0.1
85.02805	0.1
101.02322	0.1
101.20978	0.1
113.02361	0.1
153.09166	0.2
163.11212	0.1
171.10184	0.3
197.11765	0.1
207.10234	0.2
209.11771	2.0
211.13405	0.2
225.11362	0.3
227.12939	0.3
253.09337	0.2
289.18359	0.2
307.19077	0.6
311.22144	0.2
312.22867	0.2
325.20380	0.3
397.13925	0.1
513.72552	0.1
546.20386	0.1
706.82965	0.1
768.54773	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65718	0.6
55.01752	0.5
57.03326	1.1
58.00504	0.6
59.01250	7.2
61.98705	1.5
69.03321	4.4
69.53535	3.7
71.01247	6.5
71.04892	1.9
73.02825	1.4
76.80842	0.5
83.01264	0.7
83.04895	0.7
85.02818	1.7
87.00771	0.7
89.02319	2.3
97.02837	1.3
97.06468	1.6
99.00729	0.6
101.02328	4.4
113.02322	1.9
113.09633	1.0
115.07482	0.9
121.06390	0.7
123.08047	2.3
125.09622	2.3
145.05109	0.5
151.11176	2.8
153.12775	1.7
161.04463	1.1
161.09637	3.6
163.11197	1.2
163.90077	0.5
165.12737	1.3
171.10159	2.9
179.10732	5.6
181.12296	2.3
183.13911	0.9
185.11708	1.1
188.75906	0.5
193.12253	0.8
195.13895	0.9
197.11768	77.3
198.12102	4.1
199.13251	1.0
207.10228	1.3
209.11755	2.5
211.13377	1.9
221.15355	1.0
223.09702	1.0
225.11346	2.6
235.08195	1.5
241.10681	3.6
241.14407	0.9
247.20630	1.2
253.09251	3.4
273.18686	1.2
291.19647	10.2
292.20059	1.1
293.21268	0.6
307.19193	1.1
309.20709	9.4
310.21042	0.7
331.97321	0.6
357.89456	0.6
434.62378	0.6
477.19571	3.1
482.74130	0.7
634.50598	0.6
657.62836	0.6
725.41577	0.6
769.40179	100.0
770.40448	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	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80924	0.7
57.03307	1.5
57.18973	0.7
59.01256	6.4
61.98677	1.2
68.79297	0.7
69.03331	4.0
69.42941	0.7
71.01231	6.9
71.04885	1.8
73.02809	1.3
77.59255	0.7
83.01228	0.8
83.04893	1.7
85.02816	2.4
87.00739	1.9
89.02320	3.1
93.50101	0.8
97.02818	2.1
97.06458	1.5
99.00767	3.2
99.78986	0.8
101.02316	3.4
106.79464	0.7
111.08056	5.4
113.02330	2.2
119.78883	0.8
123.07987	1.0
125.09586	3.7
129.93907	0.8
137.09608	0.9
151.11153	2.6
153.09085	1.0
153.12744	2.4
161.04475	1.6
161.09636	3.8
163.11182	2.1
169.12238	3.2
171.10181	5.7
175.02187	1.0
179.10666	8.4
181.12250	3.5
183.13870	1.2
197.11766	67.2
198.12079	3.1
199.13316	3.5
207.10138	7.1
209.11765	5.1
211.13316	3.1
221.11594	0.9
223.09755	1.9
225.11244	10.8
227.12886	0.9
235.08034	0.9
239.12888	0.9
241.10759	3.0
241.14403	1.0
243.12341	3.8
253.09227	3.5
263.20282	2.0
273.18347	1.0
289.17978	1.4
291.19571	5.5
293.21158	0.9
307.19202	2.0
309.20743	8.3
310.21313	1.0
443.19278	0.8
459.18567	1.0
461.20505	2.1
477.19669	1.1
479.21164	1.5
720.66302	1.1
751.39117	1.8
769.40131	100.0
770.40399	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	769.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51849	3.8
79.91857	2.5
85.02814	5.6
93.43126	2.3
106.35819	2.4
109.02854	2.8
116.41055	3.0
125.56592	2.7
129.01775	3.2
133.02841	10.5
149.02347	4.4
163.00195	3.0
205.03481	3.2
235.72838	2.6
249.53134	2.5
284.03223	9.1
285.03915	6.8
297.04126	14.0
298.04724	8.9
299.05670	12.1
311.05737	3.6
327.05093	100.0
328.05225	8.6
340.28650	2.7
357.06079	22.9
388.06891	2.9
447.09302	91.9
448.09601	12.9
760.06134	3.1
786.57581	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
56.96493	0.7
57.03328	3.2
59.01246	9.5
61.98687	1.1
69.03326	6.0
69.23982	6.4
71.01256	10.7
71.04881	2.8
73.02803	2.2
74.52715	0.6
80.02543	0.8
83.01248	1.8
83.04885	1.1
85.02831	6.9
87.00761	3.1
89.02324	5.2
95.01215	1.7
97.02826	2.1
97.06453	2.2
97.40581	0.7
98.20573	1.5
99.00734	1.0
101.02317	8.7
109.06480	0.9
111.04362	0.7
111.08025	1.5
113.02336	3.4
119.03390	1.4
123.04436	0.8
123.08031	2.1
125.09618	5.3
127.11153	0.9
137.09682	1.3
138.82460	0.6
145.04907	1.6
151.11154	2.8
153.12737	2.3
155.10617	0.7
161.04424	3.1
161.09639	4.5
163.11249	3.5
165.09169	1.1
165.12779	3.8
167.10657	2.2
169.12279	1.6
171.10193	19.3
177.08952	0.7
177.12694	1.0
179.10722	7.9
179.14314	2.9
181.12257	2.0
183.13821	1.4
185.11760	0.8
193.15929	1.6
195.10135	0.9
195.13832	7.4
197.11769	74.8
198.12086	4.3
201.11243	0.9
205.12334	5.0
209.11714	2.7
211.13335	4.0
213.11243	0.6
221.11761	1.1
223.09718	2.5
223.13347	55.0
224.13644	3.7
225.11282	2.8
229.14371	2.2
235.08205	10.2
239.12732	0.9
241.10745	3.3
247.20694	3.5
253.09247	14.8
273.18713	1.3
289.18021	0.8
291.19647	27.3
292.19995	2.6
309.20700	20.0
310.20914	2.4
327.21762	38.8
328.22122	3.2
459.22733	8.9
460.22476	1.0
477.19290	1.6
533.34735	1.0
545.29706	1.8
563.30750	1.6
751.38605	1.6
769.40143	100.0
770.40436	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03320	1.1
59.01255	6.6
61.98708	2.1
69.03329	4.6
70.43613	0.9
70.43967	1.3
71.01246	5.1
71.04896	1.9
72.99140	0.6
73.02833	1.4
74.83513	0.5
83.01264	0.9
83.04914	0.7
85.02829	1.5
87.00738	0.8
87.60705	0.5
89.02306	2.1
95.01275	0.8
97.02849	1.5
97.06450	1.1
99.00758	0.8
101.02316	5.2
109.06482	0.9
110.98554	0.6
111.04368	0.5
111.08044	3.6
113.02343	2.4
119.03442	1.0
121.06551	0.6
123.08060	1.5
125.09605	2.5
137.09630	0.7
151.11191	2.1
153.12769	1.5
161.04443	1.4
161.09633	3.7
165.12740	0.5
169.12253	2.2
171.10210	4.2
179.10699	7.6
181.12262	0.9
185.11925	0.6
191.14394	0.6
197.11768	94.4
198.12083	4.5
199.13313	0.9
201.11313	0.7
207.10188	0.9
209.11829	2.5
211.13350	2.2
221.11723	0.6
223.09731	3.4
223.13387	1.8
225.11269	2.0
227.12918	0.8
229.14238	0.6
235.08276	1.1
241.10759	4.0
253.09282	4.9
276.49075	0.5
289.18124	1.0
291.19705	4.0
307.19040	0.8
309.20663	5.4
310.21054	0.8
327.21817	1.6
459.18622	1.3
477.19745	1.7
751.39447	1.9
769.40143	100.0
770.40497	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	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62727	0.1
59.01252	0.4
61.98704	100.0
62.98408	0.1
67.49542	0.1
68.69606	0.1
70.43263	0.1
70.43605	0.3
71.01258	0.2
75.08241	0.1
77.55672	0.1
89.02328	0.2
101.02321	0.2
111.30966	0.1
113.02282	0.1
171.10167	0.2
174.83194	0.1
184.88225	0.1
209.11932	0.2
225.11252	0.2
258.61749	0.1
289.18097	0.4
307.19290	0.3
308.19611	0.2
309.20059	0.1
325.20380	0.1
399.14017	0.1
461.20999	0.1
555.58307	0.1
665.57239	0.1
684.78040	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	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54597	0.2
59.01250	0.4
61.98702	100.0
62.98389	0.2
69.46685	0.2
70.63602	0.5
71.01263	0.8
72.99206	0.2
75.00747	1.0
75.55601	0.1
83.03241	0.2
85.02819	0.2
89.02312	0.2
95.04894	0.2
96.95868	0.3
101.02328	0.3
109.67075	0.2
114.80858	0.2
117.32344	0.2
163.11282	0.2
171.10147	1.5
197.11876	0.3
207.10210	0.4
209.11812	1.0
223.09598	0.2
225.11349	0.9
230.99548	0.2
253.09235	0.3
289.18005	1.2
305.25745	0.2
307.19177	0.5
308.19418	0.2
397.13742	0.2
461.20532	0.4
480.82516	0.2
713.74805	0.2
751.39008	0.3
768.39856	0.2
769.40106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
60.99176	15.1
61.83861	0.2
71.01247	0.2
72.99165	0.9
75.00748	0.3
78.89427	0.2
81.03317	0.5
83.04892	0.8
84.20470	0.2
87.00751	1.5
88.00278	5.0
88.01077	0.3
88.98677	100.0
89.02312	7.9
89.98999	1.0
90.01817	0.3
98.02339	0.2
98.19843	0.4
215.32364	0.2
224.17677	0.2
225.16049	0.6
253.31131	0.2
322.78198	0.2
369.24405	0.2
469.78027	0.2
673.47089	0.3
675.47900	1.0
677.49622	1.6
678.49786	0.4
689.46136	0.4
691.47913	0.8
707.48340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98701	100.0
69.22015	1.3
71.01272	0.3
109.57892	0.1
143.27037	0.1
184.17763	0.2
283.02606	0.2
286.22568	0.1
364.00760	0.1
432.96722	0.1
525.65784	0.1
656.96613	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	767.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.3
65.29466	0.8
68.69611	0.7
71.01263	2.7
71.31722	1.4
80.96397	2.8
89.02327	1.2
113.02350	1.7
161.04459	1.5
183.13815	7.0
193.12253	1.5
198.83035	0.9
211.13339	100.0
212.13676	6.8
223.72702	0.9
239.36775	0.8
253.09293	6.1
261.04135	0.7
270.20810	0.8
277.21722	44.3
278.22040	4.8
320.47861	0.8
393.36349	0.9
447.22415	6.4
531.52417	0.8
584.20459	0.8
767.40918	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01249	6.0
61.98706	9.5
68.58622	0.4
69.03326	3.1
71.01260	4.0
71.04872	1.0
71.52338	0.9
72.99162	0.6
73.02791	0.6
75.00732	2.4
77.43897	0.4
78.95750	0.5
81.03284	0.5
83.01245	1.0
83.04888	0.8
85.02838	0.7
87.00735	1.0
89.02311	3.0
95.04916	1.1
96.87759	0.5
96.95879	0.8
97.02848	0.6
97.06477	1.9
101.02335	2.6
109.06440	1.7
111.04401	0.8
111.08040	1.1
113.02322	1.5
119.03381	1.0
122.39207	0.5
123.04321	0.5
125.09624	1.7
135.07977	0.5
149.09619	0.7
151.11134	1.0
153.09129	0.6
161.04437	1.3
161.09581	0.7
163.11183	0.6
165.12714	1.3
167.10695	4.0
169.12184	0.7
171.10187	3.1
173.77763	0.5
177.12759	1.2
179.10710	2.6
179.14340	3.9
179.56375	0.5
180.57954	0.5
181.12212	1.1
185.11723	1.2
191.14325	1.0
195.13834	12.4
196.14122	0.7
197.11812	1.7
205.08559	0.6
205.12260	10.7
206.12483	0.6
207.10164	0.8
209.11745	5.7
211.13202	0.7
219.89589	0.6
223.13347	100.0
224.13652	6.6
225.11243	0.9
226.11986	0.5
227.12891	1.7
229.83470	0.5
235.08200	0.8
245.19171	2.5
253.09261	8.1
263.20114	2.2
277.47018	0.5
278.47079	0.6
289.18100	14.7
290.18454	0.7
291.19748	1.7
307.19125	17.5
308.19470	1.8
309.20718	2.1
397.13397	1.3
415.14542	0.5
445.20776	2.4
496.66064	0.6
543.28174	2.6
749.38470	0.9
767.38385	3.6
768.39185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
59.01252	12.3
61.98696	7.4
62.82199	0.6
69.03336	3.6
71.00886	1.0
71.01252	11.1
71.04882	1.7
71.52206	0.9
72.99159	1.0
73.02806	2.6
73.58137	0.5
75.00765	0.8
75.59132	0.6
80.02560	1.1
81.03333	2.0
83.01255	1.6
83.04884	5.5
84.02065	1.1
85.02814	3.7
85.06449	0.9
87.00740	2.0
89.02316	6.2
91.05479	0.7
92.12535	0.6
93.03336	0.8
95.01260	1.0
95.04905	3.4
97.02805	2.0
97.06467	2.6
99.00742	0.9
99.04397	2.1
99.08051	1.0
101.02322	8.4
106.04099	0.8
107.04915	1.2
109.02805	0.8
109.06463	3.5
111.00748	0.8
111.04364	0.7
111.08040	1.5
112.05146	1.2
113.02332	4.6
113.06077	0.6
115.07513	2.3
119.03399	1.4
123.04396	1.1
123.08051	1.5
125.02368	1.0
125.05952	0.9
125.09600	7.1
127.07526	4.5
127.11184	0.8
135.08067	2.9
135.11714	0.9
137.09592	1.3
139.07542	1.2
141.09111	1.0
143.03421	0.9
145.04959	0.8
149.09659	1.3
151.11159	0.8
153.09120	20.8
153.12691	0.6
154.09537	0.7
155.10602	1.4
161.04521	3.8
161.09622	1.1
163.11198	3.6
165.12767	2.5
167.10710	4.0
169.12343	0.8
171.10178	29.3
172.10547	1.5
177.12724	1.2
178.09872	3.3
179.05560	1.6
179.10741	3.5
179.14359	4.4
181.12294	2.1
185.11737	5.8
191.10655	2.1
191.14342	1.7
195.13849	12.4
196.14151	0.7
197.11760	13.4
198.12157	0.9
205.12280	11.6
206.12617	0.9
207.10159	2.8
209.11774	56.8
210.12119	3.6
211.13336	3.5
219.13887	0.8
221.11816	4.4
223.13350	100.0
224.13690	6.8
225.11243	2.7
227.12912	1.3
230.42393	0.7
235.08212	6.1
235.13358	0.8
236.10692	1.3
237.11238	1.0
238.12009	2.2
239.12909	3.2
245.19014	3.1
253.09254	16.1
253.14313	0.7
254.09830	0.8
263.20108	1.5
277.18182	1.3
279.19626	0.8
289.18112	17.4
290.18573	1.6
291.19675	2.8
293.50366	0.6
297.20700	1.7
307.19138	75.3
308.19470	6.2
309.20615	3.3
323.22119	1.5
325.20197	36.4
326.20456	2.0
407.19009	1.7
459.22470	8.1
474.21033	1.9
513.32214	1.4
525.26935	4.9
543.28101	23.9
544.28387	2.0
561.29279	5.4
562.29242	0.9
565.62646	0.7
613.32513	0.8
680.34167	3.6
705.38684	0.7
731.39813	1.4
749.41034	13.3
750.40906	3.4
759.07178	0.7
767.39777	10.6
768.40881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03311	2.5
57.77835	0.6
59.01245	9.8
61.98696	4.3
67.01752	0.9
69.03331	5.9
71.01253	8.0
71.04899	2.7
72.99186	0.6
73.02840	1.0
75.00777	0.7
80.02555	0.6
81.03342	2.2
83.01254	2.3
83.04896	2.3
85.02822	2.5
86.03992	0.6
87.00751	2.0
88.42799	0.7
89.02312	3.5
93.03341	1.2
93.16135	0.6
95.01283	0.7
95.04905	2.0
97.02843	2.3
97.06475	3.4
99.00748	1.4
101.02303	5.9
106.04109	0.6
109.06482	2.2
111.00767	0.8
111.08090	0.8
113.02325	3.6
115.55231	0.6
117.29278	0.7
119.03399	0.8
121.02816	0.6
121.06461	1.5
123.04408	1.3
123.08031	2.4
125.09614	8.3
135.08086	0.9
137.09622	2.2
149.09686	1.1
151.11197	4.0
153.09113	0.6
153.12723	2.9
161.04465	2.0
161.09613	4.4
163.11229	3.8
167.10623	1.2
169.12263	1.1
171.10191	3.4
175.02422	0.9
177.12740	1.8
179.05608	0.7
179.10713	8.7
180.11060	0.8
181.12173	0.9
185.11713	4.1
191.10738	0.8
191.14368	2.6
195.13855	1.3
195.24944	0.7
197.11760	96.1
198.12114	6.0
198.88293	0.6
205.12292	1.5
207.10217	3.8
209.11748	8.9
211.13362	2.4
213.11290	1.4
214.91994	0.6
221.11781	7.0
222.12073	0.9
223.09763	3.7
223.13333	11.1
224.13634	1.1
225.11272	5.7
227.12842	1.2
235.08197	2.0
237.11371	1.0
237.14932	0.8
239.12837	5.1
241.10844	5.0
245.19119	3.1
247.20575	0.8
253.09268	7.0
263.20184	2.2
289.18127	5.8
291.19641	4.1
293.21155	2.3
307.19116	5.1
309.20782	6.1
312.04364	0.6
323.22226	1.4
325.20038	4.2
336.69791	0.7
459.18552	2.1
461.20633	0.7
475.21896	1.1
477.19913	4.6
531.33807	0.9
536.42596	0.8
607.31628	0.8
651.30292	1.4
669.31152	7.3
670.31476	1.7
749.38788	2.2
763.82025	0.7
767.38599	100.0
768.38928	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	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
60.99177	16.0
61.98687	0.8
71.01260	1.1
74.80872	0.3
82.56081	0.3
87.00755	2.4
88.00273	2.9
88.01117	0.3
88.98676	100.0
89.02314	14.9
89.99013	0.7
93.97395	0.3
100.68822	0.3
101.02330	0.8
102.13629	0.2
125.09644	0.4
126.56405	0.3
129.67332	0.3
165.12772	0.4
171.10286	0.4
176.85388	0.4
177.97963	0.3
185.11830	0.3
195.13904	0.7
204.90565	0.4
207.10225	0.7
209.11909	0.3
211.13361	0.6
221.11758	0.4
225.11264	0.7
237.14899	0.4
239.12770	0.5
251.49391	0.3
253.09264	1.1
259.39380	0.3
279.23276	0.5
289.18063	0.3
291.19632	0.6
293.21280	0.3
309.20575	0.6
397.13406	0.9
405.26178	0.4
415.14822	0.4
483.29245	0.3
513.32098	1.0
531.33203	2.3
532.33527	0.5
767.42102	2.6
768.42352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
61.98379	0.4
61.98700	7.4
65.32352	0.2
70.67129	0.5
71.01256	1.7
72.99177	4.3
75.00745	100.0
76.01088	0.9
85.02818	0.5
87.00765	0.3
89.02313	1.1
97.02809	0.3
101.02330	1.1
113.02322	0.8
119.03391	0.4
123.46471	0.2
125.02377	0.4
125.09579	0.4
143.03436	0.3
147.40015	0.2
161.04539	0.3
185.11703	0.4
195.13853	0.9
209.11713	0.5
223.13336	0.6
224.68024	0.2
235.08304	0.4
239.17372	0.2
253.09221	0.5
262.29083	0.2
275.20175	0.6
291.19589	0.7
293.21213	15.2
294.21512	1.6
305.08951	0.3
309.20792	1.2
316.19522	0.3
397.13477	5.2
398.13773	0.5
415.14557	5.8
416.14777	0.6
529.72424	0.3
691.35504	1.0
736.35651	1.7
767.37140	1.4
768.38464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.1
61.98703	100.0
69.34994	11.2
71.01258	13.0
73.02816	2.3
77.47330	1.9
85.02826	4.2
87.00735	3.2
89.02318	11.4
97.02838	5.3
101.02327	10.7
113.02302	4.2
117.24011	1.7
119.03399	2.8
125.02316	4.1
125.09585	2.2
128.72263	1.6
137.09666	2.2
138.10158	1.6
161.04459	2.0
165.12784	5.0
171.10133	4.1
197.11661	2.6
209.11838	2.3
211.13158	1.7
215.37233	1.6
219.44676	1.9
235.08173	3.1
245.06534	2.4
247.20639	5.0
273.18652	2.5
291.19614	25.9
292.20065	1.8
309.20706	69.5
310.21097	6.7
397.13403	27.9
398.13907	3.6
415.14639	27.9
416.15198	2.1
569.85400	1.9
707.35004	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	767.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94151	0.5
69.46957	1.6
69.47363	2.1
98.20566	1.2
111.75849	0.5
116.33907	0.5
149.02364	0.8
150.03091	1.4
152.01044	0.9
152.10739	0.5
157.02905	0.6
165.05527	1.1
167.03432	2.0
167.04778	0.7
175.72600	0.6
178.06349	0.5
183.04459	1.8
185.02332	0.7
211.03937	3.2
212.61905	0.6
227.03424	5.7
229.05107	0.6
237.01942	0.7
238.02672	1.4
239.03452	1.5
253.01660	0.5
254.02238	1.0
255.02979	8.0
256.03320	1.0
258.01852	0.7
266.02042	1.0
267.02979	0.8
271.02499	1.7
272.03241	1.6
282.01566	1.0
283.02469	100.0
284.02795	8.4
285.04108	1.6
296.03210	0.6
297.04120	1.2
301.03519	1.0
306.07578	0.8
313.03488	1.0
325.03464	4.2
366.53540	0.5
380.68985	0.6
385.05386	0.7
403.06686	31.6
404.06943	2.2
571.10327	0.6
647.14105	2.0
767.18268	11.9
768.18225	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	765.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.5
58.00463	3.4
59.00997	4.0
59.01257	53.8
61.98381	3.4
61.98703	68.2
68.99672	3.3
69.03330	4.5
71.01256	49.7
71.51860	2.9
71.52242	3.1
72.99177	11.5
73.02827	5.4
75.00735	8.9
80.96387	2.6
83.04897	7.2
85.02823	9.2
87.00764	12.0
88.98679	7.2
89.02326	31.6
94.28761	2.5
95.01270	3.2
97.02837	7.0
97.06468	14.9
99.00761	3.9
101.02315	29.4
108.02052	15.2
109.02838	5.9
109.06430	3.0
111.04450	3.6
111.08041	2.6
113.02352	15.2
119.03384	10.7
123.95020	2.7
125.02338	13.9
125.09637	2.9
131.03348	3.1
137.02391	2.5
143.03387	4.0
148.40459	2.8
151.11142	10.1
152.01057	19.5
153.12726	3.1
155.10675	3.9
161.04459	7.4
162.65393	2.6
165.12752	14.3
167.03444	3.4
171.10272	3.6
179.05487	6.6
181.12276	16.6
183.13892	5.7
189.08978	2.9
190.65466	2.7
190.83127	3.5
191.10750	7.5
209.11789	48.1
211.13348	7.3
227.12828	21.7
235.08142	13.4
245.19077	13.0
263.07657	3.1
263.20169	11.2
289.18118	23.1
305.08701	3.4
307.19168	100.0
308.19528	11.7
397.08438	3.9
397.13498	57.6
398.13412	6.4
408.98019	3.0
415.14612	41.5
429.10007	3.0
484.32205	2.7
572.21790	2.8
607.26038	45.2
608.26215	8.5
621.12695	3.4
622.25507	3.2
699.74805	3.4
705.33374	17.1
706.33752	5.2
765.32733	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.4
57.03315	4.7
57.19537	1.2
58.00458	1.9
58.42703	1.4
59.01252	40.0
61.98701	14.4
63.31216	1.5
63.44435	1.5
69.03311	2.0
69.18208	16.2
71.01253	36.2
72.99166	5.5
73.02812	5.0
74.15218	1.2
75.00748	2.1
76.24561	1.4
76.71786	1.7
76.83687	1.3
81.03326	3.9
83.01252	7.8
83.04919	2.0
85.02829	6.7
87.00751	8.2
89.02322	25.6
95.01295	1.7
97.02831	9.1
97.06472	4.5
101.02322	26.1
109.06486	1.9
111.04404	1.4
113.02332	11.3
119.03358	7.6
123.04414	4.9
123.08050	2.3
125.02341	9.4
125.09581	8.2
131.03386	2.2
135.08086	1.9
137.09586	5.7
143.03369	4.2
161.04446	4.7
163.11215	11.4
165.12790	3.6
171.10254	2.4
179.05554	5.6
183.29721	1.3
183.97687	1.4
185.11717	8.0
191.10672	2.3
191.14369	9.9
207.10176	6.4
209.11774	30.4
210.11975	1.5
211.13405	4.0
221.06560	1.6
225.11331	4.7
235.08208	10.1
237.11299	3.4
245.19034	20.0
246.19496	2.4
253.09308	2.6
263.20050	4.3
271.16959	2.3
281.21063	2.4
289.14761	3.4
289.18082	88.1
290.18463	8.6
307.19141	100.0
308.19495	10.1
397.13522	60.1
398.13876	5.8
415.14575	49.8
416.14893	4.7
575.83325	1.6
607.26361	2.4
705.33618	10.0
747.36267	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30779	1.2
57.03324	3.1
58.00485	1.4
59.01253	37.7
61.98702	22.9
67.01756	1.4
69.03333	3.6
69.54355	8.4
71.01254	32.3
72.99188	2.7
73.02834	6.8
81.03356	2.3
81.11397	1.2
83.01258	6.1
83.04902	2.4
85.02826	6.5
87.00774	6.4
88.98699	1.9
89.02319	25.4
94.03514	1.4
95.01278	2.4
95.04890	2.2
97.02847	10.2
97.06466	3.1
99.00743	2.0
101.02324	26.8
111.04440	1.7
113.02325	13.4
119.03416	9.2
121.06436	1.8
123.04377	4.6
123.08041	2.0
125.02335	6.9
125.09621	8.7
131.03387	2.2
133.04884	1.7
135.08069	2.4
137.09612	3.2
143.03383	4.4
151.11180	1.9
155.12477	1.4
161.04468	4.3
161.09648	1.8
163.11191	8.2
165.12778	2.0
165.35155	1.5
169.12288	2.5
171.10150	1.7
174.99335	1.4
179.05516	5.9
181.12196	1.6
185.11739	9.0
191.10645	1.8
191.14322	8.9
201.78717	1.4
207.10228	5.7
209.11774	19.9
210.12204	1.7
211.13411	3.3
221.06618	1.9
225.11272	5.2
235.08269	9.2
237.11386	2.5
245.19046	19.0
246.19406	1.8
253.09183	3.1
263.20108	3.3
271.17139	1.9
276.68594	1.3
287.07556	1.9
289.18097	100.0
290.18503	8.7
293.21112	2.3
305.08734	2.1
307.19147	97.5
308.19360	8.2
397.13501	59.1
398.13660	4.8
415.14548	47.5
416.14828	2.2
705.33331	6.7
765.34827	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.8
59.01251	35.7
61.98703	100.0
69.03333	1.8
70.38654	1.9
71.01250	30.0
71.52024	2.6
72.99171	4.1
73.02823	4.7
75.00756	4.0
81.03329	3.4
83.01260	5.1
85.02798	6.0
87.00744	7.9
88.98681	4.2
89.02319	22.9
94.24230	2.0
95.01252	3.5
95.04884	3.6
97.02825	5.4
97.06455	4.6
101.02327	21.8
113.02333	13.3
119.03397	6.9
123.04403	3.6
125.02345	7.3
125.09604	8.6
126.86894	1.9
131.48225	1.9
137.09633	3.0
138.91008	1.8
143.03380	4.9
151.30635	1.8
161.04402	3.6
163.11172	7.0
179.05568	4.7
185.11766	7.1
191.14310	5.2
195.13890	4.0
207.10101	3.7
209.11772	21.6
211.13327	7.2
219.22163	2.0
225.11255	2.8
235.08186	6.5
237.11324	3.1
245.19058	16.9
246.19330	2.8
263.20053	2.3
271.16995	3.3
277.21484	2.2
289.18121	70.2
290.18430	6.8
295.22873	19.9
307.19147	78.5
308.19415	9.2
343.11917	2.7
345.19647	2.0
353.04593	1.8
397.13434	48.8
398.13867	3.8
415.14572	42.4
416.14658	4.8
466.73245	2.1
607.25598	3.1
608.26923	2.5
680.39807	2.7
705.33325	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
59.97763	0.2
60.99179	17.9
61.98705	1.5
71.01270	1.6
72.99187	0.3
73.98283	0.2
78.76117	0.2
78.95769	0.2
85.02833	0.3
87.00747	3.8
88.00282	3.6
88.01104	0.5
88.98680	100.0
89.02318	24.2
89.99022	1.1
90.02669	0.4
101.02312	0.6
109.06458	0.6
117.41518	0.2
119.03416	0.3
163.11118	0.3
207.10226	1.6
209.11778	0.4
221.11876	0.3
223.13336	0.8
225.11310	0.7
235.08206	0.3
236.32657	0.2
253.09360	0.5
277.21793	0.7
305.17667	0.4
397.13458	1.7
398.14102	0.3
415.14633	0.6
461.20218	0.3
461.64050	0.2
559.03857	0.2
598.67236	0.2
682.67822	0.2
765.39508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
60.99178	17.8
61.98705	1.5
61.99482	0.1
63.08220	0.2
71.01254	1.0
80.96396	0.3
87.00754	4.3
88.00278	3.2
88.01091	0.6
88.98679	100.0
89.02316	28.7
89.99023	0.7
90.02650	0.3
93.97990	0.2
98.19787	0.5
101.02315	0.2
123.03627	0.2
124.33152	0.2
133.94423	0.2
144.22832	0.2
171.10201	0.2
207.10178	0.3
211.13307	0.4
223.13290	0.2
235.08121	0.2
237.14854	0.3
277.21652	0.8
291.19440	0.2
309.20853	0.3
397.13437	1.8
398.13669	0.2
415.14594	0.6
765.37671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.6
61.98700	2.3
63.37276	0.4
71.01244	0.6
71.52226	0.5
72.99178	0.5
73.21210	0.4
88.98664	0.9
90.31271	0.4
93.60794	0.4
96.95916	0.5
109.02855	0.6
113.02334	0.6
137.02249	0.4
150.03159	1.1
151.00307	0.5
164.21907	0.6
165.05478	0.8
171.10179	1.3
183.04431	2.0
199.03896	0.8
211.03990	3.0
211.13344	1.0
213.05399	0.5
226.78008	0.5
227.03442	6.4
228.03909	0.6
238.02632	1.1
239.03494	1.8
255.03011	9.1
256.03381	0.9
258.01660	1.3
259.02451	1.7
266.02167	0.8
267.03033	1.3
268.03763	0.8
271.02551	2.5
272.03171	3.8
282.01727	0.8
283.02481	100.0
284.02783	8.9
285.03986	1.8
296.03284	1.2
297.03961	2.3
298.01147	0.8
301.03488	1.3
302.04037	0.6
311.02014	0.9
313.03604	1.3
325.03546	6.9
326.03943	0.7
327.21829	1.0
341.22989	0.5
355.04562	1.1
403.06741	10.6
404.06589	1.0
578.50909	0.6
598.46417	0.6
615.31958	2.2
643.31409	5.1
644.31244	1.6
673.32837	0.9
763.35510	46.5
764.35760	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	763.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33972	1.0
58.00492	0.9
59.00993	1.6
59.01255	17.6
60.99152	1.0
61.98709	7.0
68.03216	1.0
70.63770	3.2
71.01255	16.1
72.99203	2.5
73.02835	1.5
78.95762	1.3
83.01246	1.8
83.64268	1.0
85.02814	2.6
87.00764	4.2
88.98696	4.8
89.02316	11.4
95.04945	1.4
97.02819	1.6
101.02330	11.1
111.00719	1.0
113.02346	5.9
117.98825	0.9
119.03400	2.7
125.02356	3.2
126.51610	1.0
131.03461	1.5
137.02316	1.1
143.03354	2.1
161.04457	1.7
171.10226	6.2
179.05534	3.0
195.13783	5.5
199.13519	1.0
211.13339	5.6
223.13318	3.1
235.08168	4.0
253.09477	1.3
275.20129	3.2
277.09540	1.3
283.02432	3.4
287.16565	2.6
293.21219	100.0
294.21616	8.0
297.16180	1.0
305.17508	6.2
394.21426	1.1
397.13504	27.9
398.14023	2.8
402.22696	0.9
415.14581	30.1
416.14963	2.2
419.16074	1.0
521.23157	1.3
691.35687	1.8
763.28448	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	762.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.2
61.98703	100.0
70.72093	0.4
78.95791	0.3
79.95621	0.2
80.96394	0.2
87.00764	0.6
88.98693	0.3
93.03366	0.2
96.13476	0.1
96.95924	0.3
101.01128	0.1
126.85143	0.1
167.44603	0.2
171.10211	0.3
247.13733	0.2
309.20728	0.2
366.50864	0.2
588.66046	0.1
636.78827	0.2
763.38861	0.2
764.03876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06216	1.2
63.96109	2.0
71.01247	10.5
71.34586	1.2
73.02808	1.1
78.95762	1.4
78.98473	7.3
79.38724	1.0
79.95608	14.5
80.96393	87.4
85.02808	3.7
87.00736	4.0
94.97964	19.7
96.95837	2.3
97.02799	1.3
101.02311	3.1
106.97930	4.6
113.02322	1.5
122.97455	4.8
124.95343	1.2
125.02279	3.3
134.97472	6.9
136.99020	1.6
148.99097	6.2
152.87340	1.3
152.98523	6.4
164.98549	13.8
180.54756	1.2
206.99593	2.6
225.00705	20.2
255.23270	2.3
281.24817	5.8
329.23505	1.2
360.22971	1.2
363.86804	1.2
505.17383	3.1
761.41364	100.0
762.41663	26.4
769.29669	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	761.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48456	1.0
59.01266	1.2
63.96107	1.5
66.95551	1.0
69.03315	0.9
71.01254	9.6
78.98461	7.9
79.95608	16.9
80.96391	89.0
85.02829	3.0
87.00760	3.3
94.97965	23.3
96.95892	1.9
97.02811	2.0
98.19743	1.6
101.02325	2.6
106.97971	4.4
122.97461	4.3
125.02336	3.6
127.03875	1.0
134.97496	5.1
135.50565	0.9
136.99069	2.2
146.89740	1.0
148.99100	6.7
152.98564	6.6
164.98566	14.4
169.59401	1.1
169.60957	1.0
206.99608	3.4
224.98680	1.7
225.00710	20.7
231.52708	1.1
255.23238	1.3
505.17581	2.6
537.27020	1.3
761.41437	100.0
762.41968	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	761.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39594	0.7
57.03307	1.4
59.01251	5.5
61.98696	3.4
71.01254	5.9
72.99182	1.0
73.02805	0.8
78.95779	3.1
85.02818	1.2
87.00717	1.4
89.02319	2.4
93.86967	0.8
95.01233	0.8
97.06476	4.2
101.02310	3.3
111.91780	0.8
113.02331	2.1
119.03426	0.7
124.33286	0.8
126.16024	0.8
130.99704	0.9
151.11209	14.1
169.12263	66.9
170.12634	3.8
195.10257	1.2
195.13828	5.8
198.91951	0.7
213.11285	8.5
214.11636	0.9
223.13379	2.7
229.73849	1.0
231.12320	0.9
235.08086	1.1
253.09250	3.9
260.59467	0.8
275.20071	3.2
281.24884	0.9
293.21255	16.8
294.21463	1.7
431.19330	1.6
449.19693	3.7
725.41168	100.0
726.41498	24.1
761.38470	19.8
762.38617	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.0
61.98705	6.3
71.01242	3.3
71.43941	1.4
79.43881	0.8
81.03307	0.9
82.01580	0.8
83.04913	1.1
84.36600	1.0
85.02814	1.0
87.00722	1.6
89.02319	2.5
92.57158	0.8
97.02816	1.9
101.02309	2.8
108.87706	0.9
111.08037	2.7
113.02293	1.6
119.03391	1.0
125.09611	1.7
127.11225	1.8
153.09052	1.0
161.04417	1.5
164.96288	0.8
165.12784	2.1
169.12175	2.3
171.10182	100.0
172.10510	4.2
185.11708	1.6
197.11803	8.9
209.11810	4.7
211.13240	3.0
212.13696	1.0
227.12798	1.3
229.14375	3.5
230.14751	1.4
235.08208	5.5
247.20651	1.6
253.09244	10.5
287.02017	1.6
288.02765	2.9
291.19672	19.7
292.20001	2.8
309.20718	38.7
310.21085	6.6
311.21887	2.7
312.22433	1.1
313.23242	1.0
357.43927	0.9
399.68512	0.9
407.19098	2.4
436.06290	1.7
463.30276	1.5
545.29425	1.7
759.29095	1.0
759.43042	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	761.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.5
59.01261	0.9
61.19383	0.5
61.98712	2.3
65.57124	0.5
66.14587	0.4
71.01265	1.0
72.99162	0.6
75.93608	0.4
78.82611	0.5
78.95776	0.5
87.00777	0.7
88.98683	0.6
96.95921	0.5
97.11502	0.5
101.02359	0.5
109.02834	1.1
123.00687	0.5
125.55803	0.5
150.03120	0.5
171.10147	2.7
183.04440	1.8
185.02386	0.7
199.03957	1.2
209.11748	0.9
211.03905	2.8
211.13234	0.7
227.03462	6.2
238.02681	1.0
239.03465	2.0
241.05058	0.5
254.02084	0.9
255.02957	9.4
256.03186	0.6
258.01645	1.4
259.02484	1.7
265.01535	0.6
266.01895	0.5
267.03046	1.2
268.03772	0.6
269.04596	0.7
271.02585	3.0
271.09842	0.6
272.03253	3.6
281.04523	0.8
282.01620	0.6
283.02472	100.0
284.02878	8.6
285.03970	1.7
287.01849	0.7
296.03195	1.2
297.03983	2.2
297.07242	0.5
298.01285	0.6
298.04803	0.6
301.03485	1.2
313.03494	1.4
325.03485	6.7
326.03815	0.9
327.21674	1.7
331.04517	0.6
355.04355	1.5
357.26361	0.7
397.13266	0.6
403.01730	0.9
403.06674	12.1
404.06836	1.5
532.74591	0.5
613.30170	2.3
641.29602	5.3
642.29346	0.6
661.88104	0.6
761.33801	45.3
762.33984	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	759.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	4.7
59.01252	100.0
60.01600	1.7
61.98692	7.7
70.28515	6.6
71.01256	77.0
72.01575	1.8
72.99178	12.1
78.95750	2.7
83.01238	2.0
85.02835	13.3
87.00748	7.9
88.98668	5.2
89.02316	91.5
95.01258	5.0
96.95890	2.8
101.02322	44.3
113.02325	31.9
119.03387	39.0
120.01121	6.1
131.03368	4.6
136.01540	4.0
143.03368	7.6
149.04424	3.1
151.03897	7.3
152.01033	2.4
160.01526	3.5
161.04448	4.2
163.03886	1.7
166.02599	5.3
177.05415	2.4
179.05573	9.9
181.04955	7.2
199.07452	1.8
270.08511	1.8
283.02499	3.9
284.02634	1.7
301.03400	2.2
308.06830	2.7
311.09247	3.4
323.09225	2.5
325.19986	1.9
339.08743	16.5
354.11020	7.4
357.13010	2.2
369.13391	32.7
387.14572	12.3
388.14114	2.2
447.20547	2.8
597.23468	7.2
619.17261	2.0
759.30872	3.7
759.47076	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	759.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.6
58.00455	5.2
59.01250	100.0
60.01561	1.4
61.98711	5.9
70.28474	2.1
70.28880	3.9
71.01254	76.8
72.01582	1.9
72.99181	9.0
78.04546	1.1
78.95771	1.5
83.01257	3.3
85.02822	10.8
87.00742	5.4
88.98672	5.4
89.02318	84.2
92.49654	1.2
95.01269	4.6
96.34995	1.2
96.95930	1.6
98.20483	1.2
101.01705	2.5
101.02323	36.4
106.72118	1.1
113.02321	27.2
119.03391	32.6
120.01120	3.5
125.02332	2.1
126.55931	1.1
131.03391	5.2
135.33209	1.2
136.01534	5.2
137.02364	1.8
143.03410	6.9
149.04457	2.9
150.03065	1.6
151.00290	1.9
151.03839	3.7
154.40877	1.3
160.01576	1.3
161.04480	4.0
164.04527	1.3
166.02617	2.2
178.06226	1.3
179.05565	9.0
179.06996	2.2
181.04987	3.4
219.93069	1.1
234.92029	1.3
268.07468	1.4
283.02527	2.6
296.06689	1.2
301.03665	1.2
309.07394	1.3
311.09161	4.7
323.09283	3.2
324.06329	2.0
325.20187	1.6
339.08685	15.1
354.11090	8.5
357.13568	2.7
369.13416	29.7
370.13684	3.2
387.14526	5.6
582.85345	1.2
597.23505	2.7
759.31091	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	759.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01249	7.7
61.98714	6.5
63.99137	1.2
69.03313	1.9
71.01258	6.6
71.32114	1.6
73.02821	1.5
77.43054	0.9
79.01768	1.5
81.03314	1.3
85.02830	6.3
89.02309	3.8
95.01218	1.0
95.04910	2.0
96.95872	1.3
97.02844	2.3
97.06464	3.9
101.02318	4.5
105.72179	1.0
109.02824	1.3
111.00797	1.2
113.02319	3.3
125.02308	3.2
125.09673	1.2
127.11181	1.5
137.09541	2.0
151.00311	1.1
151.11186	10.4
159.04411	1.4
161.02347	1.3
161.04420	1.8
163.11186	0.9
167.10648	1.0
169.12256	58.4
170.12596	1.8
171.10179	18.9
173.22919	1.0
176.01091	1.4
177.01959	1.0
178.99783	1.3
183.13805	1.5
185.11739	2.3
187.03853	1.9
189.01656	1.2
190.99725	1.0
193.04965	1.3
195.10280	1.7
201.11255	2.9
202.99783	2.3
203.03369	2.0
211.13374	8.2
212.13693	2.0
213.11255	10.1
214.11523	1.1
215.03429	5.1
229.10916	1.0
229.14337	3.5
231.02847	1.5
235.08241	2.5
243.02892	3.3
245.00897	2.3
253.09193	7.1
258.01556	3.1
259.02475	22.3
271.02484	3.7
272.03137	1.7
273.00455	2.5
274.01181	6.7
275.01947	4.6
286.01187	1.3
286.98718	1.9
287.01941	37.5
288.02649	11.8
291.19641	2.6
299.01923	2.1
301.03564	1.7
302.00610	1.3
303.01523	2.5
309.20764	2.4
314.00598	3.0
315.01471	29.9
316.02020	3.1
317.02957	2.8
327.01401	2.2
327.21756	17.6
329.03000	2.9
345.02533	1.7
347.04224	1.5
397.13409	1.7
415.14459	2.1
435.05627	30.1
436.06210	4.9
442.65955	1.2
449.20139	3.2
469.15039	1.2
494.00900	1.1
639.24445	3.0
759.28485	100.0
759.41772	89.4
760.28906	24.4
760.42096	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	759.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.7
61.98696	10.2
71.51974	2.0
74.40450	1.5
78.95787	2.0
89.02284	2.6
101.02309	3.2
108.17458	1.4
125.09660	1.6
150.93663	1.4
153.50984	1.5
169.12221	3.3
171.04433	2.3
171.10173	43.6
185.11795	8.7
187.03951	1.9
197.11780	4.3
201.11267	2.9
202.02583	4.1
209.11749	14.8
210.12164	7.1
211.13272	6.9
212.13667	3.4
213.01761	1.5
215.03456	3.2
225.11282	2.1
228.13219	3.7
230.02231	4.4
235.08183	3.4
237.74501	1.6
243.02922	4.0
244.00197	2.1
245.00954	2.9
249.04922	1.6
253.09300	6.8
254.09698	1.9
257.00934	4.1
258.01636	6.4
259.02463	23.2
271.02527	6.6
272.03271	6.5
273.00467	4.7
274.01230	4.8
275.02011	2.5
285.00421	3.5
285.03888	3.2
286.01266	9.6
287.01987	73.9
288.02698	33.0
289.03427	6.6
291.19675	7.7
293.21216	5.6
294.21338	3.1
299.01968	8.2
299.05359	2.7
301.03574	3.6
309.20688	23.5
310.21204	2.6
311.22061	4.7
312.22479	4.0
314.00766	3.5
315.01453	50.8
316.01993	6.1
317.03015	11.6
318.03265	1.9
320.01828	2.4
327.01526	4.8
327.05133	3.9
328.01981	2.2
329.02982	3.8
337.03549	1.7
345.02631	20.3
346.03094	2.1
355.04395	3.3
424.54251	1.6
457.14883	1.8
469.15103	2.4
470.15918	3.6
565.30060	1.7
610.06018	1.7
638.50745	1.9
639.24457	74.6
640.24591	12.8
669.25391	26.1
670.26019	3.6
741.27661	4.6
759.28809	100.0
759.41785	11.0
760.28986	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	759.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	5.9
61.98696	8.9
65.45595	1.2
71.01251	3.4
71.52538	1.3
71.52867	1.2
78.95747	1.8
82.90345	1.2
87.00747	1.5
89.02340	1.5
96.95896	2.5
97.02797	1.3
101.02335	3.0
113.02313	1.5
120.19775	1.2
127.11253	1.4
149.39880	1.3
165.12732	1.9
166.73445	1.2
169.12268	2.3
171.10175	28.0
172.10573	1.7
181.28650	1.5
183.07620	1.2
185.11720	6.1
197.11769	3.1
198.12187	1.5
201.11198	2.7
202.02565	2.6
203.03377	1.5
209.11740	13.0
210.12080	8.1
211.13268	5.8
211.15175	1.5
215.03485	2.7
216.00642	1.5
217.49243	1.3
227.12889	2.8
230.02094	4.1
235.08250	1.6
241.01402	2.4
243.03008	3.2
244.03702	2.0
245.00887	4.7
253.09203	4.9
257.00934	4.5
258.01627	6.1
259.02432	21.9
259.04898	2.0
260.03101	1.7
271.02457	5.9
272.03259	6.3
273.00684	1.7
273.04013	2.3
274.01123	5.4
275.01895	2.3
285.00485	3.2
285.03738	2.4
286.01300	7.2
286.04248	1.7
287.01965	66.8
288.02701	28.4
289.03470	6.7
291.19724	6.9
293.21100	4.9
294.21533	5.1
299.01959	6.8
299.05203	2.1
300.02563	3.4
301.03555	5.1
309.20676	15.0
310.21030	5.4
311.22055	3.4
312.22290	2.3
313.03586	3.1
315.01456	44.0
316.01935	3.8
317.02954	12.4
327.01459	5.7
327.04947	3.0
328.05838	1.5
329.02887	3.1
345.02481	15.5
355.04562	5.8
363.07806	1.6
469.15009	3.2
470.15897	2.4
569.16498	2.1
632.16211	1.6
639.24432	73.2
640.24805	12.8
643.23340	1.6
669.25537	25.5
670.25513	6.6
741.28119	5.6
759.28741	100.0
759.41370	8.4
760.28790	22.2
760.41980	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	759.178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44563	0.6
70.81087	1.7
90.23633	0.6
100.11320	0.6
101.02325	0.6
109.02818	2.5
134.03612	0.9
160.01524	1.1
163.00319	0.6
165.78680	0.6
175.03978	0.7
203.11333	0.6
206.76167	0.5
215.03435	0.8
227.03409	1.3
229.01247	0.8
229.05006	1.1
230.01955	0.6
243.02948	1.7
244.03580	1.1
245.04596	1.0
255.02946	1.1
258.01666	16.1
259.02438	19.3
260.02713	1.2
271.02475	18.2
272.03217	20.0
273.03964	6.3
274.04572	0.7
283.02435	1.7
285.00745	1.1
285.03864	4.8
286.04260	0.8
287.01895	2.8
298.01181	2.1
299.01913	2.0
300.02747	0.6
301.03519	100.0
302.03873	6.7
313.03568	5.3
314.03986	0.9
315.05075	4.4
327.05298	0.7
331.04590	38.9
332.04868	3.4
343.04535	2.3
345.06250	1.5
355.04425	0.8
361.05670	1.0
385.05692	0.9
403.06488	2.8
404.94910	0.7
421.07748	36.8
422.08163	4.2
435.09381	2.4
463.08798	0.9
639.13513	8.3
640.14142	1.0
646.82025	0.6
669.14716	2.5
670.14319	1.0
741.17023	1.0
759.17743	10.5
760.18085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.9
61.98701	25.9
67.67056	1.0
69.38665	2.2
69.39063	8.4
71.01255	27.8
73.70497	1.3
78.95776	100.0
87.00742	1.7
89.80948	1.1
96.96822	7.5
101.02312	2.7
108.15410	1.2
109.06477	1.9
113.02299	1.1
113.44580	1.1
125.09599	1.7
127.11152	1.4
152.99495	50.0
153.00755	2.5
155.10765	1.6
163.11217	1.7
165.12770	1.6
171.10193	30.8
172.10524	2.6
183.13829	1.4
185.11871	1.4
195.13806	2.2
197.11778	7.5
198.11983	2.0
199.09698	5.1
199.13443	1.5
201.11203	6.8
205.64369	1.2
207.10248	6.3
209.11729	2.9
211.13312	6.9
225.11270	5.6
247.20912	1.4
253.09235	5.8
277.21725	23.4
278.22076	3.8
290.87164	1.4
291.19659	16.9
293.21231	16.7
295.22681	2.7
309.20740	9.7
310.20877	1.7
311.22250	20.2
327.22147	1.7
445.19928	14.0
446.20383	2.5
447.21527	18.2
448.21808	1.8
461.20108	2.9
463.21060	4.6
465.22403	4.7
757.42957	61.2
758.43286	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	756.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
61.98704	100.0
69.03323	0.1
69.34949	0.7
69.35358	0.4
71.01241	0.3
72.63314	0.1
83.04916	0.2
83.87965	0.1
85.02834	0.2
89.02311	0.2
95.04936	0.1
96.66644	0.1
97.02849	0.2
98.19836	0.3
101.02348	0.3
113.02312	0.2
125.09623	0.1
163.11180	0.2
165.12801	0.2
167.10670	0.1
169.12303	0.3
171.10248	0.5
181.12390	0.1
182.12619	0.1
185.11792	0.3
197.11865	0.4
209.11781	3.7
210.12125	1.3
211.13324	1.2
212.13791	0.2
213.11446	0.2
227.12767	0.7
228.13342	0.2
235.08151	0.2
253.09308	0.6
254.09848	0.2
284.57037	0.1
291.19632	1.0
292.20160	0.5
295.22998	0.2
307.19525	0.2
309.20670	1.5
310.21112	0.9
327.21838	0.7
456.52032	0.1
523.81995	0.1
720.24799	0.1
757.28644	0.2
757.40167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75880	1.1
59.01253	14.7
61.98703	8.0
70.09725	1.4
71.01268	4.2
78.95782	12.3
89.02308	1.6
91.64940	1.3
96.95895	1.9
97.02837	1.4
98.19776	3.6
101.02327	2.7
130.85654	1.2
151.11221	2.9
152.99496	7.8
161.04558	1.8
163.11218	1.5
165.39494	1.2
169.12254	100.0
170.12595	6.1
171.10210	24.3
185.11818	2.1
197.11717	2.6
207.10237	2.7
209.11739	5.2
211.13344	2.6
213.11189	1.6
227.13042	1.9
235.08200	5.3
253.09283	8.0
277.21704	65.5
278.22131	5.8
291.19666	4.3
293.21265	2.6
304.44690	1.3
309.20688	6.2
311.22281	7.9
327.21756	2.6
405.21362	6.3
445.19830	3.8
447.21866	1.4
449.20325	1.5
513.31171	1.5
691.40594	1.8
709.41345	12.8
710.42303	4.0
727.42572	10.1
728.43396	2.5
755.41327	15.4
756.42126	3.3
776.49091	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
58.89344	0.5
59.01247	8.3
61.98706	1.3
67.61698	0.5
69.03320	0.7
69.48425	0.5
71.01260	7.3
71.04871	1.0
73.02808	1.0
80.02535	1.7
81.03336	1.5
83.04902	4.8
84.02023	1.0
85.02824	1.9
87.00770	0.8
89.02316	4.0
95.01289	0.6
95.04917	1.0
97.02840	1.5
97.06489	1.3
98.20582	1.2
99.00761	3.2
101.02328	6.6
101.02948	0.9
107.04892	0.6
109.06457	1.2
111.08024	0.6
113.02308	2.7
113.09623	1.2
113.37732	0.6
115.07565	0.7
119.03399	1.2
122.68747	0.5
123.08067	0.9
125.09599	2.3
135.08041	0.8
139.11217	0.5
141.09100	0.8
141.12796	0.5
143.03410	0.7
145.04945	0.6
151.11182	1.0
161.04465	2.1
163.11201	6.3
164.11508	0.6
165.12782	5.6
167.10730	0.6
167.14325	1.3
169.12186	1.5
171.10170	7.3
172.10562	0.7
179.05507	1.0
181.12256	5.7
183.13831	1.6
185.11722	1.8
191.10641	1.1
193.12216	0.9
195.13904	2.4
197.11713	2.9
199.13339	7.0
201.11214	1.0
207.10173	6.7
209.11771	100.0
210.12134	6.9
211.13330	6.7
212.13605	0.6
215.68047	0.6
221.15398	1.7
223.13359	1.1
225.11281	10.2
227.12830	21.2
228.13214	1.9
229.14362	1.5
235.08200	3.7
243.12323	5.5
247.20592	2.9
253.09244	14.8
253.21577	0.6
254.09680	0.6
255.15944	0.7
273.18558	1.9
275.20187	0.7
281.21121	0.8
288.73560	0.5
291.19675	25.3
291.40591	0.6
292.20032	2.6
293.21210	7.7
294.21588	0.7
303.19818	0.5
305.92010	0.5
307.19147	1.3
309.20700	70.0
310.21069	7.5
311.22110	0.8
325.20029	1.9
347.22046	0.7
348.22162	0.6
385.70898	0.5
440.56183	0.5
445.20673	1.2
461.20102	1.4
463.21646	0.6
470.12726	0.6
479.21246	1.9
501.32065	1.1
527.28540	2.3
545.29633	8.7
546.29596	1.4
719.40253	0.9
737.40521	2.9
738.41431	0.9
755.42169	21.9
756.42358	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	755.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98700	6.0
69.26530	3.5
71.04160	0.4
72.28607	0.3
78.95784	0.5
88.98661	0.6
90.64030	0.4
96.95901	0.5
98.19834	0.7
101.02381	0.3
107.15000	0.3
139.78535	0.4
152.01025	0.4
155.04907	0.3
173.25494	0.4
175.00360	0.5
183.04395	1.8
185.02364	0.7
187.03821	0.5
199.03989	1.0
211.03941	3.1
212.04330	0.4
214.82545	0.4
227.03452	5.3
238.02708	1.4
239.03473	1.6
243.02991	0.6
254.02206	0.8
255.02992	10.4
256.03409	1.1
258.01782	1.0
259.02438	2.1
266.02249	1.0
267.02917	0.9
269.04407	0.4
271.02481	3.3
272.03293	4.1
281.04596	0.4
282.01642	0.9
283.02466	100.0
284.02792	8.9
285.04071	2.0
285.06970	0.4
296.03159	0.9
297.04059	1.4
298.01175	1.1
299.01932	0.4
300.02588	0.8
301.03482	1.3
313.03503	1.3
325.03531	7.4
326.03918	0.5
355.04297	0.8
385.05710	0.4
403.06674	13.0
404.06824	0.9
437.12491	0.5
457.78043	0.4
612.01892	0.4
635.25018	4.9
636.25269	1.5
661.86517	0.4
755.29187	46.9
756.29578	11.8
756.39948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65248	0.1
61.98701	100.0
62.98411	0.2
86.41870	0.1
90.50845	0.1
95.96609	0.1
98.20644	0.2
122.88631	0.1
207.10237	0.1
209.11790	1.0
210.12141	0.1
211.13490	0.1
225.11241	0.1
227.12865	0.2
241.29929	0.1
253.09348	0.3
276.88773	0.1
289.18143	0.1
291.19772	0.4
294.21857	0.1
295.02042	0.1
295.21835	0.1
307.19330	0.2
309.20691	0.7
325.20428	0.1
369.50781	0.1
375.45135	0.1
382.09363	0.1
400.15237	0.1
403.06821	0.1
512.93140	0.1
733.10278	0.1
754.40723	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.1
61.98703	100.0
62.98405	0.3
76.81319	0.1
109.51643	0.1
209.11772	0.2
229.15662	0.1
259.98633	0.1
293.21179	0.1
634.61169	0.1
754.33862	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	753.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28143	0.3
59.01250	1.1
59.74940	0.4
61.98377	0.7
61.98700	12.2
69.25832	0.9
69.26250	2.0
72.99184	3.8
74.02368	0.4
75.00744	100.0
76.00262	0.5
76.01082	1.0
81.03316	1.3
83.04883	4.2
83.69466	0.3
153.61989	0.3
164.34288	0.3
196.84283	0.3
224.17613	1.2
225.16066	2.1
333.22885	0.4
392.67798	0.3
451.32819	0.8
646.08673	0.3
675.48590	1.7
677.49719	5.2
678.50116	1.3
691.47974	0.6
692.48004	0.5
693.49084	20.9
694.49341	3.6
753.27148	0.6
753.50793	1.0
754.47394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.0
57.03315	2.0
58.00449	0.8
59.00990	1.1
59.01250	11.9
61.98695	2.2
69.03318	1.7
71.01251	10.0
71.04879	1.4
73.02805	2.7
75.43292	0.8
80.02509	1.3
81.03316	2.3
81.84707	0.7
83.01244	1.2
83.04881	4.0
85.02801	3.0
87.00745	2.5
89.02325	5.0
93.03342	1.1
95.04901	1.7
97.02837	8.6
97.06441	2.2
99.00756	13.4
101.02319	7.7
109.06464	9.6
110.01270	0.8
110.03612	2.2
111.04414	1.2
111.08025	2.9
113.02293	4.2
119.03381	1.6
123.04392	1.8
123.08027	1.4
125.02316	1.6
125.09605	5.7
135.08003	2.2
136.05164	1.9
137.02310	1.7
141.09088	1.1
142.02637	2.0
143.03270	0.9
145.05023	1.3
151.11159	1.4
159.15137	0.9
161.04417	2.6
161.09561	2.4
163.11198	15.1
164.11465	1.1
165.09102	1.1
165.12675	3.8
167.10751	0.8
169.12198	2.8
171.10199	6.1
175.11176	0.9
179.05516	1.6
179.10645	2.4
181.12273	26.4
182.12524	1.3
184.47739	0.8
185.11761	2.7
195.13771	2.8
197.11739	10.4
199.13324	4.9
199.42052	0.8
200.85503	0.8
207.10208	66.3
208.10553	3.0
209.11783	32.1
209.13795	1.6
210.12131	2.4
211.13383	4.1
221.15416	2.1
223.09724	1.5
223.13391	1.2
225.11282	100.0
226.11671	6.9
227.12895	8.3
235.08182	6.1
240.13809	0.9
243.12386	11.6
245.19145	2.3
247.20676	2.5
251.80824	0.8
253.09258	15.1
255.15955	3.6
263.20129	1.2
273.18646	1.6
275.20132	1.1
279.16003	2.8
281.21072	1.3
289.18103	11.7
291.19647	30.4
292.20041	3.1
293.21344	4.4
299.14856	1.3
307.19186	10.9
309.20706	64.9
310.21106	4.8
317.16028	1.3
375.21603	1.4
443.19009	2.0
455.31604	1.3
461.20303	33.6
462.20615	3.5
473.32449	1.8
479.21457	1.1
499.30469	1.3
527.28491	2.6
545.29694	2.5
573.59686	0.9
601.51685	0.8
611.30481	2.5
709.41138	2.0
717.38245	1.3
735.38849	5.7
736.38965	0.9
753.40576	46.9
754.41138	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79863	2.1
55.01753	3.0
57.03319	8.9
58.00467	3.4
59.01251	48.6
61.98701	9.7
63.33871	2.0
69.03339	3.4
69.61008	2.0
70.03603	3.3
70.03998	5.1
71.01257	37.5
71.04891	2.8
72.99181	5.0
73.02835	6.1
78.07554	2.2
80.02522	3.7
81.03331	6.1
83.01265	6.2
83.04899	12.1
85.02834	9.2
87.00760	7.0
89.02316	14.8
93.03343	2.1
95.01264	7.5
95.04904	7.8
97.02815	17.2
97.06473	7.1
97.19212	2.0
98.19906	2.4
99.00762	3.6
101.02321	26.0
104.29280	2.0
107.04939	4.9
109.06480	42.3
110.03612	4.5
111.00776	4.1
111.04437	2.7
111.08070	3.5
113.02361	12.8
113.09660	3.1
115.07548	4.9
119.03373	5.2
121.06491	2.6
123.04413	6.4
123.08047	6.7
125.02375	2.2
125.05993	4.8
125.09620	16.5
127.07555	3.8
131.16835	2.1
131.67972	2.1
135.08060	5.3
136.05110	2.7
137.09691	2.5
139.11284	2.5
141.09100	3.5
143.07103	5.8
145.04993	3.6
161.04475	9.1
161.09593	5.3
163.11220	33.5
165.12708	11.8
167.10680	2.9
167.14340	3.1
171.10185	14.3
175.11165	2.8
179.05554	3.3
179.10750	3.0
181.12260	11.8
185.11774	18.0
189.09180	5.6
191.14359	4.7
193.12273	3.4
195.13832	4.0
197.11714	5.7
199.13248	5.9
205.12355	3.8
207.10211	92.4
208.10484	4.1
209.11771	93.8
210.12096	5.3
211.13324	11.2
213.14859	3.1
221.15431	6.3
223.13354	3.3
225.11292	79.1
226.11664	3.9
227.12856	16.5
235.08224	17.4
243.12346	2.6
245.19083	8.3
247.20538	3.8
253.09225	29.3
263.16516	2.5
263.20004	3.3
287.20062	3.1
289.18106	43.8
290.18399	2.7
291.19659	59.2
292.20016	3.4
295.22833	6.1
307.19180	35.5
308.19485	2.8
309.20728	91.8
309.24313	4.5
310.21170	6.2
313.18021	7.4
327.19785	3.4
329.21088	4.0
331.19049	6.2
345.20605	4.3
347.22177	2.6
352.00275	2.3
371.21960	4.4
373.23755	8.5
375.21616	5.9
385.24399	2.9
389.23123	2.3
391.24884	5.2
393.22821	4.9
397.13489	3.7
401.23416	4.6
403.24792	3.1
404.99588	2.4
419.24274	2.9
437.30542	2.7
443.19202	4.8
461.20282	16.9
462.20383	3.6
463.28928	4.1
473.32764	2.8
481.29575	20.7
499.30597	31.0
500.30246	2.7
517.31702	9.4
525.27191	4.4
543.28442	9.0
545.29810	8.9
607.31134	3.6
609.32831	8.3
611.30701	11.2
625.32397	2.5
637.32562	4.7
639.33899	3.4
655.33374	5.2
666.32330	10.9
684.33704	8.2
699.37439	3.0
717.38611	41.2
718.39240	6.3
735.39618	100.0
736.39893	22.7
753.40649	65.3
754.40674	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01255	6.7
69.03329	4.2
70.99194	0.7
71.01255	7.4
71.04897	1.7
73.02802	1.3
85.02819	1.5
87.00731	1.1
89.02311	3.1
95.01262	0.9
97.00256	0.8
97.06476	1.0
98.19745	1.3
101.02325	3.8
109.06435	1.1
113.02331	2.4
113.09583	0.7
119.03358	1.4
123.08089	1.1
125.09605	2.5
128.88782	0.7
151.11143	3.1
152.77333	0.8
153.12755	1.6
161.04489	1.5
161.09616	4.2
163.11250	0.9
171.10176	1.5
179.10672	8.2
181.12309	1.1
195.13832	4.2
197.11761	94.9
198.12108	4.4
207.10204	3.0
209.11780	6.4
209.13623	1.1
211.13286	2.0
223.09679	1.3
223.13332	3.8
225.11284	3.5
227.12752	0.8
229.38882	0.8
231.96103	0.7
235.08232	1.2
241.10718	4.3
253.09247	4.4
275.20206	2.0
289.18054	1.1
291.19589	1.5
293.21170	11.8
307.19153	2.2
309.20584	1.4
438.13937	0.8
477.19720	2.8
703.09558	0.8
717.37408	1.0
735.39819	1.8
753.40643	100.0
754.40997	25.5
783.26013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03314	2.5
59.01250	26.9
59.88078	1.8
61.98703	56.4
62.53193	1.9
68.99689	2.7
69.03331	2.0
69.91049	1.9
71.01250	15.4
71.06831	2.0
71.07186	3.8
72.99180	3.3
73.02823	3.9
78.95787	9.2
83.01236	2.4
83.04903	2.6
85.02814	4.3
85.26618	1.5
87.00733	4.9
89.02318	6.7
94.27003	1.8
97.02784	3.6
97.06445	6.7
99.00721	2.1
101.02320	12.7
107.04934	2.2
109.06467	17.5
110.03638	2.0
111.07997	4.3
113.02312	5.2
123.08109	2.7
125.09612	29.1
133.27625	1.8
141.09125	2.1
151.11128	2.1
152.66527	1.7
152.99463	4.6
153.09093	6.8
155.10690	21.4
161.04407	5.1
163.11174	7.9
165.09087	5.5
165.12788	2.4
169.12251	3.1
171.10164	9.7
179.05487	2.3
181.12286	4.7
183.10204	13.2
183.13776	2.9
185.11763	26.5
186.12053	1.9
187.09642	3.1
193.12296	2.5
195.10202	5.0
195.13826	2.0
197.11731	5.7
201.11237	4.3
207.10216	37.1
208.10561	3.9
208.73691	1.8
209.11809	13.8
211.13342	51.6
212.13638	3.0
213.09229	2.8
213.11278	56.3
214.11552	2.5
225.11276	24.8
226.11661	2.9
235.08217	4.4
247.20567	3.2
253.09244	23.5
277.21722	59.0
278.22116	4.8
289.17960	2.8
291.16339	2.4
291.19675	34.6
292.20023	3.7
303.32281	1.7
307.19034	5.9
309.20700	31.0
310.21082	4.3
311.22174	5.3
323.22290	30.6
324.22644	2.5
325.19827	2.6
356.49261	1.8
431.19656	2.0
449.20135	10.2
461.20111	7.2
499.30396	2.7
709.41284	7.1
735.40485	6.1
753.40576	100.0
754.41168	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	751.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62295	0.2
54.23397	0.2
55.01757	0.5
57.03328	1.1
58.00470	0.3
58.56451	0.2
59.00951	0.4
59.01250	6.7
61.98698	0.4
64.46995	0.2
67.01744	0.3
69.03323	2.8
70.43134	0.5
71.01254	4.6
71.04887	0.9
72.99199	0.3
73.02807	1.0
81.03337	0.4
83.01260	0.6
83.04898	0.9
85.02821	1.3
85.06464	0.6
87.00745	0.9
89.02318	3.1
93.03366	0.4
95.01234	0.5
95.04913	0.7
97.02831	1.6
97.06449	0.8
99.00738	0.3
101.02322	4.3
107.04899	0.3
109.06483	0.9
111.08038	6.2
113.02338	2.2
119.03372	0.8
123.08057	0.4
125.05968	0.3
125.09596	1.0
127.07485	0.3
137.09598	0.6
141.09082	0.4
142.02646	0.2
143.03380	0.5
145.04938	0.7
149.09615	0.6
151.11217	0.6
153.09132	0.6
153.12801	0.5
159.62607	0.2
161.04495	2.2
161.13243	0.5
163.11179	0.5
165.12743	1.5
167.10706	2.6
169.12259	2.3
171.10175	1.6
175.11269	0.2
177.12717	0.8
179.05571	0.7
179.10710	1.6
179.14340	3.7
180.10941	0.2
181.12270	0.6
183.13884	0.5
185.11809	0.3
193.12346	0.4
195.13834	10.6
196.14191	0.7
197.11760	28.2
198.12094	1.6
199.13341	1.8
205.12274	8.9
206.12608	0.9
207.10358	0.4
209.11754	0.8
211.13313	3.7
211.15186	0.3
212.13739	0.3
221.11732	0.8
223.13344	100.0
224.13692	6.8
225.14845	0.4
227.12796	1.7
235.08226	4.5
239.12773	0.7
247.20667	1.1
249.14899	0.7
253.09262	15.7
254.09557	0.8
263.20282	1.4
265.18060	0.8
273.18518	0.8
291.19653	20.0
292.20157	1.9
293.21191	1.0
309.20697	52.8
310.21048	5.8
433.20569	0.4
441.21103	0.4
459.22366	10.1
460.22525	1.5
497.32849	0.6
515.33545	1.6
527.28381	0.7
528.29156	0.3
545.29639	1.9
546.30151	0.5
607.89624	0.3
751.42188	3.7
752.43329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66287	0.5
55.01763	0.9
55.89195	0.4
56.66669	0.4
57.03320	2.1
58.00468	0.5
59.01254	9.1
59.97063	0.4
61.98694	1.8
62.05534	0.5
62.86249	0.4
69.03315	3.3
71.01253	9.0
71.04897	1.0
72.99190	0.6
73.02809	0.9
81.03336	0.9
83.01243	0.7
83.04906	1.6
85.02837	3.2
87.00745	1.3
89.02316	4.7
90.85331	0.4
93.03324	0.5
95.01292	0.5
95.04882	1.1
97.02831	1.3
97.06470	1.6
98.19777	1.3
99.00785	0.7
101.02315	6.6
109.06451	1.1
111.00729	0.7
111.08051	1.3
113.02330	2.9
113.09597	1.4
115.07510	1.5
119.03383	1.6
123.04361	0.9
123.08092	0.7
125.05878	0.6
125.09682	0.5
129.01907	0.6
135.11731	0.4
139.11176	0.8
141.09085	1.7
145.04958	1.5
149.09631	0.8
151.11156	1.0
157.04938	0.5
161.04478	3.0
163.11154	0.5
165.12723	2.4
167.10715	4.4
167.14313	1.9
171.10338	0.6
177.09149	0.5
177.12703	2.2
179.05533	1.1
179.10704	1.5
179.14355	4.4
181.12207	3.0
183.13802	0.6
193.12268	1.5
193.15941	0.6
195.12045	0.9
195.13835	18.2
196.14262	0.7
197.11757	0.6
205.12271	10.4
205.93452	0.5
206.12651	0.8
209.11760	1.0
211.13297	3.7
213.14848	0.5
221.11804	8.6
221.15303	3.0
222.12132	0.6
223.13345	100.0
224.13689	5.7
229.14357	1.0
235.08173	6.0
237.14742	0.6
239.12837	4.4
240.13446	1.1
241.14365	0.9
247.20656	3.7
248.21031	0.6
253.09264	13.8
255.15955	2.7
263.20084	0.9
265.21753	0.8
273.18658	3.9
275.20108	0.6
277.18121	1.8
281.21161	1.8
291.19659	39.4
292.20010	3.0
293.21228	9.2
294.21658	0.8
309.20703	98.7
310.21054	10.0
373.23828	0.6
459.22418	9.8
460.22543	0.8
475.21893	1.3
483.55246	0.5
497.32690	1.3
515.34070	1.0
527.28540	3.8
528.28680	0.8
545.29681	17.5
546.29968	2.4
609.32599	1.7
682.35931	1.1
733.41687	3.2
751.42706	8.9
752.42383	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	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03318	2.0
59.01251	9.4
61.98701	0.5
69.03312	2.4
70.19865	1.6
71.01262	7.3
71.04897	0.7
72.99171	0.8
73.02814	1.5
76.20346	0.4
83.01258	0.8
83.04889	1.1
85.02816	2.2
85.06452	0.5
87.00755	1.7
89.02320	4.4
93.03331	0.7
95.01259	0.8
95.04916	1.1
97.02824	0.8
97.06478	1.8
99.00758	0.6
101.02325	7.3
106.04182	0.5
109.06481	1.1
111.08060	0.8
113.02335	3.0
113.09611	1.3
115.07524	1.0
119.03394	1.1
123.08047	0.7
125.06001	0.8
125.09631	1.0
139.11209	0.5
141.09138	1.9
145.04987	0.9
149.09628	1.6
151.11324	0.9
161.04480	2.8
165.12776	2.5
167.10689	3.9
167.14366	1.7
177.12781	1.5
179.05539	1.3
179.10675	1.3
179.14348	4.5
181.12233	3.4
183.13783	0.5
193.12303	1.5
193.15923	0.9
195.13844	14.2
195.15579	1.0
196.14180	0.9
205.12289	11.1
206.12671	0.8
211.13359	3.6
213.14920	0.7
221.11832	3.1
221.15405	2.8
223.13356	100.0
224.13701	7.6
229.14407	0.8
235.08171	6.2
239.12863	1.6
240.13402	0.6
241.14380	0.6
247.20610	3.8
253.09251	12.7
255.15918	2.9
273.18774	2.9
274.19107	0.6
277.18112	1.5
281.21249	1.4
291.19672	38.9
292.20074	3.8
293.21237	2.9
309.20706	97.0
310.21024	7.5
346.76279	0.5
391.24979	0.7
456.30814	0.5
459.22339	9.7
460.22675	1.0
497.32544	1.8
515.33466	1.3
527.28882	3.4
528.28784	0.9
545.29675	16.9
545.38013	0.9
546.29901	2.2
609.32849	0.8
682.35468	1.1
715.40985	0.6
733.41223	2.3
751.42889	5.2
752.42816	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	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.8
59.01255	26.3
60.11808	1.1
61.98705	100.0
69.03312	2.3
70.66913	1.1
70.85501	2.1
71.01255	25.6
72.99189	2.6
73.02814	5.5
75.00755	1.5
80.96383	1.7
81.03311	1.0
83.01259	3.2
85.02824	5.7
87.00748	4.7
89.01765	1.1
89.02317	18.6
91.83100	0.9
93.14568	1.0
95.01273	1.8
97.02822	5.3
98.20474	1.2
101.02329	19.8
109.02796	1.3
109.06452	1.0
111.04364	1.5
113.02300	9.0
115.03889	1.0
119.03379	4.3
125.02360	7.2
125.09632	1.2
141.01840	1.0
143.03415	3.2
161.04428	4.0
171.10132	2.3
179.05553	2.9
185.11783	1.4
209.11751	2.0
211.13287	3.8
221.06816	1.4
223.13174	1.5
223.16858	2.2
225.11246	4.1
235.08224	8.2
235.16998	13.5
253.09314	3.3
275.20197	13.6
276.20630	2.5
287.07730	1.6
287.16663	1.2
289.18057	2.1
291.19687	2.4
293.21234	54.9
294.21542	4.6
294.51590	1.1
305.08829	2.3
309.20581	1.4
397.13498	68.3
398.13742	5.6
415.14563	31.5
416.14862	1.5
524.04712	1.3
691.34216	1.5
733.38757	1.2
751.38965	2.0
752.38611	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	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69554	3.7
59.01258	32.9
61.38585	4.0
61.98702	100.0
68.42364	3.5
71.01249	29.5
72.99181	5.5
76.57715	4.3
80.96388	4.9
85.02799	7.1
87.00765	3.6
89.02313	18.5
98.19751	6.8
99.71049	3.7
100.95707	3.5
101.02326	15.6
113.02321	8.9
115.00256	3.7
119.03416	6.3
125.02329	9.3
161.04486	5.9
207.10361	4.3
209.11729	5.7
233.15614	4.5
235.08203	7.1
235.16966	30.7
253.09271	4.9
272.03308	4.1
275.20120	47.9
287.16696	4.4
293.21228	92.2
294.21561	11.0
397.13461	77.7
398.13803	7.9
415.14453	44.7
416.15088	4.0
516.42047	4.9
634.15430	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	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16452	0.2
54.60384	0.1
57.50727	0.1
57.96806	0.1
59.01255	1.3
59.23531	0.1
61.67585	0.1
61.98696	0.6
70.43546	0.3
71.01249	1.2
72.99181	2.8
73.02823	0.2
75.00747	100.0
76.01068	1.0
85.02814	0.2
87.00745	0.3
89.02322	1.1
97.02809	0.2
101.02319	1.0
113.02363	0.5
119.03413	0.1
125.02358	0.5
131.52319	0.1
143.03329	0.2
161.04472	0.2
179.05515	0.2
195.14015	0.2
209.11835	0.1
221.11839	0.4
223.13416	0.4
225.11366	0.1
235.08128	0.7
239.12886	0.3
253.09308	0.3
277.21722	2.8
278.22113	0.4
287.07742	0.2
289.09961	0.1
291.19626	0.4
293.21329	0.4
304.41644	0.1
305.08905	0.3
309.20767	0.4
341.48315	0.2
397.13519	5.6
398.13998	0.5
415.14603	2.0
675.35541	0.2
751.40222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50396	0.2
57.03315	0.2
59.01250	2.4
61.98706	0.4
69.03320	0.5
69.59686	1.1
71.01257	2.2
71.04885	0.3
72.99172	3.3
73.02813	0.5
75.00745	100.0
76.01068	0.9
83.01255	0.2
83.04905	0.3
85.02812	0.4
86.24765	0.2
87.00741	0.4
89.02325	1.9
89.09280	0.2
92.17400	0.2
95.04897	0.2
97.02827	0.3
97.06458	0.2
99.00712	0.2
101.02325	1.9
105.72685	0.2
106.85069	0.2
107.47591	0.2
109.06506	0.3
111.08049	0.4
113.02328	0.8
119.03381	0.5
125.02347	0.5
125.09596	0.5
143.03392	0.3
151.11151	0.2
152.51772	0.2
161.04485	0.5
161.09679	0.2
167.10690	0.3
171.10202	0.8
174.01648	0.2
179.05560	0.2
179.10699	0.7
179.14354	0.3
180.88638	0.2
181.12260	0.4
185.11650	0.2
186.22488	0.2
195.13844	1.2
196.13950	0.2
197.11777	5.0
198.12094	0.3
205.12273	0.7
207.10254	0.3
209.11725	0.3
211.13400	0.9
221.11772	0.6
223.09789	0.4
223.13335	6.8
224.13684	1.2
225.11360	0.4
225.13805	0.4
235.08186	1.0
239.12886	0.4
241.10803	0.4
245.19272	0.2
251.16467	0.5
253.09222	1.9
273.18445	0.2
277.21744	3.1
278.22144	0.3
287.07550	0.2
289.18063	1.4
290.18402	1.7
291.19650	4.0
292.19943	0.4
293.21307	0.5
305.08658	0.4
307.19193	0.4
309.20731	2.7
397.13516	6.3
398.13766	0.4
415.14670	1.9
416.14618	0.4
459.22165	0.5
527.28436	0.4
545.29541	0.5
655.69147	0.2
675.35681	0.3
685.57581	0.2
733.38745	0.2
751.39099	6.8
752.39093	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	749.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01250	7.9
61.98696	2.1
69.03323	2.9
71.01260	4.9
71.04890	2.1
72.99181	47.8
73.02821	1.0
76.07074	0.4
80.02546	0.5
81.03319	1.3
83.01282	0.9
83.04912	1.0
83.61540	0.5
85.02818	1.7
85.06466	0.5
87.00748	1.0
89.02322	4.0
90.91474	0.5
93.03331	0.5
95.04905	1.5
96.95830	0.9
97.02845	0.8
97.06483	0.9
99.00766	0.5
101.02329	5.4
109.06468	7.5
111.04390	1.8
111.08034	1.5
113.02322	2.7
119.03426	0.8
123.04518	0.5
123.08034	1.3
125.02354	0.8
127.07536	1.4
135.08093	0.6
137.09660	0.8
143.03333	0.7
143.10745	0.8
145.04933	0.7
145.06516	1.3
149.09641	1.3
151.11131	0.7
161.04486	2.0
163.11230	0.9
167.10692	4.8
171.10172	0.5
177.12766	1.6
179.05487	1.1
179.10728	1.8
179.14328	3.9
180.14705	0.6
191.14395	0.6
195.13838	13.0
196.14162	0.9
205.12273	10.5
206.12605	1.0
207.10063	0.5
215.14172	0.7
221.11839	0.6
223.13347	100.0
224.13704	6.7
225.11125	0.6
227.17926	0.5
235.08197	5.1
237.14850	2.0
241.78760	0.5
245.19083	4.0
249.14902	0.8
251.16495	0.7
253.09244	12.0
254.09557	0.9
271.17010	1.4
275.16525	1.4
277.21628	1.5
287.16556	1.5
289.18091	94.1
290.18433	9.5
307.19122	7.7
308.19672	0.6
396.25354	0.5
397.13501	2.7
415.14590	1.1
437.27060	1.8
440.35675	0.5
441.21188	0.6
455.28018	1.0
456.27710	0.7
459.22372	8.4
460.22632	1.0
495.31055	2.2
513.32263	1.1
519.21100	0.5
525.26776	3.1
526.27441	0.6
621.33099	1.1
661.37512	0.6
673.35657	2.2
731.39978	2.7
749.38776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.7
61.98705	30.1
71.01257	21.8
71.52100	2.5
72.99155	2.4
73.02813	2.7
75.00757	2.4
81.03348	2.4
83.01250	2.4
85.02835	4.4
87.00774	3.0
89.02314	13.5
97.02828	4.6
101.02338	15.7
113.02336	8.1
119.03381	5.3
125.02367	5.5
129.05396	1.7
140.19685	1.7
143.03436	2.5
161.04491	2.7
163.11127	1.7
165.12733	17.5
171.10248	3.2
179.05630	3.9
197.11864	2.0
211.13362	3.2
219.17397	1.7
219.19525	1.7
227.12840	2.2
235.08205	6.3
247.20700	7.3
273.18661	4.4
283.02573	2.2
291.19678	100.0
292.19992	6.8
305.08731	2.1
397.13498	59.6
397.18652	3.6
398.13834	4.1
415.14612	29.8
416.14529	3.0
689.34259	3.9
749.29218	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	749.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	1.4
59.01254	20.8
61.98700	11.8
69.03321	1.5
69.21766	2.3
69.22180	6.4
69.72616	1.1
71.01250	18.8
72.99162	1.4
73.02811	3.0
75.00731	1.7
78.95771	0.9
83.01250	2.7
85.02822	4.8
87.00751	3.8
89.02318	15.3
95.01270	1.2
96.86674	0.8
97.02842	2.4
101.02319	11.1
109.39138	1.0
113.02340	6.4
119.03400	4.1
125.02312	5.6
131.03435	1.0
141.85448	1.1
143.03395	2.3
148.08841	1.2
161.04475	2.1
165.12753	16.1
179.05513	3.3
183.50500	0.9
186.65381	1.1
187.43536	0.9
197.11845	1.1
197.54068	0.9
235.08167	6.0
247.20662	8.7
253.09218	1.9
257.15094	1.0
263.07452	1.1
273.18588	5.8
275.81213	0.9
287.07751	2.1
291.19653	100.0
292.20035	10.1
305.08786	1.0
309.20837	1.0
325.20587	1.0
397.13474	54.7
398.13672	5.7
415.14557	30.0
416.15060	2.3
689.33881	2.0
749.30426	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	749.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.2
61.98705	4.0
65.97692	0.5
71.52080	0.6
84.38082	0.6
99.20362	0.6
108.02190	0.6
109.02811	0.7
110.47137	0.6
123.04362	0.8
125.02322	0.9
136.01508	0.7
137.02304	0.9
149.02354	0.8
150.03099	1.9
151.03905	1.1
155.04964	0.8
165.05475	2.0
167.03343	0.7
183.04468	1.7
195.06540	1.4
199.03926	1.2
211.03929	3.4
224.54297	0.6
227.03462	6.0
238.02702	1.4
244.16927	0.6
254.02237	1.3
255.02974	9.7
258.01715	1.8
259.02493	2.6
266.02255	1.4
267.02917	1.0
271.02536	3.2
272.03278	3.9
281.04575	1.6
282.01776	1.3
283.02484	100.0
284.02875	8.5
285.04071	2.3
296.03375	1.4
297.04010	2.1
298.01364	1.6
301.03537	2.2
301.30438	0.8
311.02081	0.8
313.03543	2.4
325.03619	7.5
326.03442	0.8
327.12521	1.4
330.15411	0.6
333.94055	0.7
345.23004	0.7
355.04504	1.7
403.06705	11.7
404.07037	1.4
455.56268	0.7
461.66855	0.6
595.82751	0.7
601.26563	2.7
629.26074	7.9
630.26282	1.3
657.32123	0.7
659.26691	0.8
749.30286	54.3
750.30554	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27361	0.5
57.03322	1.9
58.00464	5.3
59.01251	100.0
59.20303	0.6
60.01573	0.9
61.98704	2.8
65.39733	0.6
69.39722	1.5
69.40129	4.1
71.01254	76.7
72.01599	0.9
72.99180	8.7
73.02817	1.4
75.00773	0.6
80.80376	0.5
81.03358	0.5
83.01258	2.8
85.02825	14.4
87.00752	5.2
89.02316	89.2
90.02660	2.2
93.03329	1.8
95.01257	4.9
96.95910	0.7
101.02324	47.3
109.02815	0.9
113.02328	29.5
114.09350	0.6
119.03391	40.7
121.02870	3.1
122.03634	5.2
125.02338	1.5
131.03389	4.9
133.02811	1.0
133.65240	0.7
136.01535	2.1
137.02338	0.7
143.03400	6.9
146.03600	0.8
149.02345	13.5
149.04323	2.9
150.03134	37.0
151.03653	2.2
152.01028	1.1
160.01532	1.1
161.02315	1.1
161.04477	4.9
162.03107	2.7
164.04652	1.8
165.05484	31.5
166.05811	1.0
177.01894	1.8
177.05466	3.2
179.05537	11.1
179.06981	0.9
180.04108	1.8
192.04155	0.9
195.06563	23.9
207.06508	1.9
209.72807	0.6
268.07254	1.9
280.07257	2.0
281.07791	1.0
283.02399	1.1
283.09622	1.7
293.08142	0.7
294.09109	0.9
296.06729	1.6
302.28461	0.6
308.06647	2.6
309.07553	2.1
310.89545	0.6
311.09006	2.8
321.07663	1.1
322.08154	0.9
323.09335	4.1
324.06107	2.4
324.09714	1.5
337.10687	0.9
337.45151	0.7
338.11395	1.7
339.08737	18.8
339.12369	0.9
340.08981	2.7
354.11002	5.6
355.11554	0.9
357.13446	1.3
369.13406	32.3
370.13693	3.8
410.60199	0.6
517.18616	11.5
518.18671	1.3
583.21143	1.3
745.26215	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47210	0.5
57.03330	0.7
58.00469	1.5
59.01251	15.7
59.01539	1.1
60.99174	0.6
61.98708	2.9
66.36885	0.5
66.37237	0.5
70.66140	1.0
71.01254	14.2
72.99192	1.3
85.02837	2.6
87.00774	1.2
88.98696	3.7
89.02319	17.8
93.03352	2.7
95.01262	1.3
98.10778	0.6
101.02325	6.8
108.02063	0.8
109.02825	1.2
113.02339	6.1
119.03390	7.7
121.02838	4.8
122.03642	11.5
123.04426	1.3
124.01588	0.7
131.03427	1.0
133.02849	1.9
134.03564	0.9
135.04462	1.1
136.01558	12.3
137.02306	1.8
139.04005	0.7
143.03430	2.0
145.02846	1.8
146.03682	3.9
147.04329	0.6
147.33044	0.5
149.02351	16.9
149.04271	0.7
150.03134	81.0
151.00314	3.0
151.03932	13.5
152.01067	0.8
161.02333	3.6
161.04523	1.3
161.05971	1.7
162.03142	7.7
163.03882	0.8
164.04712	5.8
165.05489	100.0
166.02638	9.9
166.05777	3.7
172.05243	0.6
175.03928	1.6
176.04381	0.7
177.01822	1.1
177.05472	4.9
178.02632	1.5
179.03419	3.6
179.05492	3.7
179.07062	6.6
180.04214	6.4
181.05013	10.2
189.05424	1.2
190.06294	0.9
191.03365	0.7
192.04192	0.8
193.04988	2.5
194.05751	2.2
195.06560	88.7
196.06900	5.0
207.06577	0.6
209.08159	5.4
221.08087	0.9
229.97719	0.5
235.05939	0.7
246.03221	0.6
265.89108	0.6
283.02435	2.1
283.09589	0.8
342.11099	1.2
357.09647	2.5
357.13382	7.5
358.13873	0.7
369.13434	0.8
372.12064	2.3
373.12921	0.7
375.95209	0.6
387.14465	25.9
388.14993	3.1
403.06604	0.7
505.19141	0.7
531.83380	0.6
535.19934	2.7
547.19574	1.5
553.20734	1.2
565.20343	0.8
583.21857	16.2
584.22400	3.4
613.98993	0.5
666.17725	0.7
735.62024	0.5
745.26929	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01250	29.1
61.98710	5.0
62.32085	0.8
70.43774	1.6
71.01250	5.3
73.02803	1.1
83.04900	0.8
85.02845	1.3
87.00703	1.2
89.02307	1.8
97.06436	1.0
101.02335	3.6
113.02318	1.6
113.62691	0.7
127.11150	1.6
133.04912	0.7
151.11166	3.5
161.04491	0.9
169.12259	31.3
170.12566	3.0
171.10181	71.0
172.10471	3.8
185.11781	0.8
195.10252	0.9
195.13789	2.9
197.11742	2.4
201.11226	3.4
213.11316	3.9
223.13338	1.6
231.12308	2.5
235.08203	1.8
253.09323	5.8
275.20084	1.5
282.17047	0.8
291.19614	1.6
293.21234	12.9
294.21552	1.0
309.20636	2.3
309.56790	0.9
310.20721	0.9
311.22006	0.9
323.22089	0.9
329.93564	0.7
342.40927	0.7
353.82663	0.7
386.73114	0.6
407.19092	1.5
449.20007	1.2
467.21072	1.6
540.71350	0.8
725.41180	4.7
743.42114	100.0
744.29095	1.4
744.42456	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.1
56.57912	1.1
58.00463	3.2
59.01249	68.4
61.98713	5.7
69.04999	1.0
69.64665	2.6
69.65100	4.2
71.01254	55.5
72.01585	1.5
72.99163	5.1
83.01247	1.5
85.02825	9.1
86.15242	1.1
86.17088	1.1
87.00761	3.6
89.02317	63.0
90.02653	1.9
93.03358	5.0
95.01270	2.8
98.19786	1.3
101.02324	31.1
101.23472	0.9
101.63187	1.0
108.02060	1.4
109.02836	2.0
113.02330	21.8
119.03389	31.2
120.01150	6.2
121.02847	11.7
122.03625	16.1
123.00777	1.7
124.01505	1.2
125.02390	1.2
131.03413	3.8
132.02095	1.6
133.02895	1.4
134.03622	1.7
135.04381	6.3
136.01572	16.2
137.02327	3.4
143.03398	5.2
146.03612	1.3
147.04401	1.1
149.02348	29.0
149.04443	3.1
150.03131	95.1
151.00276	4.3
151.03934	17.6
160.01529	1.0
160.26378	1.1
161.04469	4.6
161.05690	1.0
162.03120	1.7
163.03944	3.0
164.04689	5.6
165.05478	100.0
166.02635	11.5
166.03928	1.6
166.05835	3.8
167.03339	2.4
175.03868	3.1
177.01843	1.6
177.05502	2.9
179.03392	2.2
179.05502	9.9
179.06993	2.3
180.04164	5.3
181.04991	14.3
189.05527	1.9
190.06244	5.0
195.06552	54.7
196.06857	1.6
221.07988	1.3
266.06284	1.2
268.07458	2.2
280.07263	1.1
283.02692	1.9
283.09842	1.1
296.07007	1.8
308.06885	2.3
309.07590	2.1
311.09296	2.5
315.08505	1.5
322.08420	2.1
323.09268	3.3
324.09778	2.2
329.10147	1.5
338.11618	1.7
339.08734	12.4
340.08887	1.7
354.11072	4.4
356.12613	1.5
357.09549	2.7
357.13437	7.2
369.13492	24.0
370.13644	3.6
372.12045	2.8
373.12762	2.2
387.14447	35.4
388.14810	4.8
505.18445	2.8
517.18927	1.1
535.19702	48.8
536.19904	10.7
553.20483	1.8
565.20715	2.8
583.21893	27.3
584.22327	5.8
631.58124	1.3
674.94379	1.1
744.82074	1.5
745.25653	4.2
746.26599	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01250	29.1
61.98710	5.0
62.32085	0.8
70.43774	1.6
71.01250	5.3
73.02803	1.1
83.04900	0.8
85.02845	1.3
87.00703	1.2
89.02307	1.8
97.06436	1.0
101.02335	3.6
113.02318	1.6
113.62691	0.7
127.11150	1.6
133.04912	0.7
151.11166	3.5
161.04491	0.9
169.12259	31.3
170.12566	3.0
171.10181	71.0
172.10471	3.8
185.11781	0.8
195.10252	0.9
195.13789	2.9
197.11742	2.4
201.11226	3.4
213.11316	3.9
223.13338	1.6
231.12308	2.5
235.08203	1.8
253.09323	5.8
275.20084	1.5
282.17047	0.8
291.19614	1.6
293.21234	12.9
294.21552	1.0
309.20636	2.3
309.56790	0.9
310.20721	0.9
311.22006	0.9
323.22089	0.9
329.93564	0.7
342.40927	0.7
353.82663	0.7
386.73114	0.6
407.19092	1.5
449.20007	1.2
467.21072	1.6
540.71350	0.8
725.41180	4.7
743.42114	100.0
744.29095	1.4
744.42456	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	743.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.8
59.04158	1.2
60.88631	1.1
61.98709	2.7
70.80843	1.7
70.81169	1.6
71.01263	8.5
87.00729	2.0
89.02323	9.9
101.02345	6.9
110.51230	1.1
113.02322	4.0
119.03397	3.8
125.02354	2.9
143.03409	2.1
161.04471	1.6
165.12729	1.1
167.14371	1.0
174.73738	1.1
179.05544	3.2
193.12199	1.1
197.11736	2.9
197.32222	1.1
209.11819	1.9
211.13388	1.7
221.15662	1.2
235.08249	2.2
247.20634	2.9
259.02322	1.1
273.18771	1.7
283.02548	2.0
284.02908	1.4
291.19669	17.5
292.20074	3.0
298.34250	1.3
309.20703	100.0
310.20959	9.9
397.13467	26.2
398.13831	2.9
415.14551	24.9
416.14859	1.6
436.06769	1.5
707.34985	62.5
708.35321	12.9
743.32776	21.4
744.33240	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	743.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.7
61.98701	6.7
70.54982	4.9
71.01239	9.3
87.00823	2.3
89.02322	6.3
93.41046	1.9
101.02328	8.3
108.02107	1.8
111.08076	3.1
113.02352	3.5
119.03402	3.6
153.29767	1.9
179.05699	2.3
197.11745	13.3
209.11844	3.8
211.13370	4.2
291.19647	20.9
304.05023	1.9
309.20700	100.0
310.21103	8.8
320.56625	2.2
350.30798	2.4
397.13461	37.2
398.13589	4.6
403.08463	2.1
403.33728	2.0
415.14597	41.0
415.56467	2.1
416.14862	2.7
431.35648	2.0
707.34833	16.5
708.35217	5.6
733.24420	2.7
743.32635	53.9
744.32977	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	743.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70741	1.2
53.47946	1.4
57.03323	1.5
59.01252	14.7
61.98696	6.9
62.01350	1.6
69.22581	14.4
71.01260	8.7
73.02823	1.8
78.95778	2.6
85.02815	2.7
87.00766	1.6
88.98656	1.9
89.02314	9.2
95.05008	1.5
96.33175	1.7
97.02850	1.8
97.06520	1.6
101.02313	8.9
108.18668	1.9
113.02303	3.8
113.09627	1.8
119.03378	2.5
120.40864	1.6
125.02330	2.6
130.45888	1.4
151.69205	1.5
161.04478	1.9
171.10289	2.4
179.05487	2.2
197.11781	4.1
209.11757	1.9
211.13365	3.7
235.08086	3.1
253.09422	2.4
263.91736	1.5
272.03284	3.0
273.18558	1.9
283.02499	9.3
284.02808	6.9
285.03336	3.2
287.02075	1.9
291.19678	23.4
292.20108	1.8
309.20718	100.0
310.21039	8.1
311.22116	2.1
327.21643	2.4
350.19241	1.7
397.13580	24.1
404.84760	1.8
415.14630	19.6
416.14725	2.5
654.24408	2.1
694.51300	1.6
707.34900	70.3
708.35364	14.4
743.32477	26.8
744.32568	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	743.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.5
59.01251	7.5
69.47166	11.9
70.02919	1.6
71.01250	11.8
72.99185	2.9
75.00747	10.0
78.44408	1.5
85.02834	8.9
87.00735	3.6
95.01260	4.6
99.00754	5.8
104.20425	1.5
104.69096	1.4
113.02322	13.8
121.01971	2.8
121.02845	52.2
159.20636	1.6
175.02316	1.6
231.05042	3.1
249.03537	2.0
249.06128	35.8
250.06407	2.8
371.09821	100.0
372.10126	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	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.1
59.01244	6.8
61.98703	93.3
62.98408	1.3
63.99127	12.0
64.87383	0.7
70.99720	1.7
71.01250	5.4
73.02803	1.7
77.78435	0.9
83.04867	0.8
85.02821	1.7
86.26410	0.7
87.00748	1.7
89.02311	2.0
95.01237	0.7
95.04899	1.3
97.02786	0.7
97.06451	4.3
97.78140	0.8
101.02348	4.0
101.02914	0.8
102.89988	0.7
109.16924	0.6
113.02303	3.7
113.09597	1.1
119.03374	1.1
121.02822	1.0
125.09666	1.0
139.11139	1.0
149.09673	0.8
151.11203	14.1
161.04472	2.4
165.01819	1.0
165.12704	1.4
169.12253	66.9
170.12546	2.0
171.10168	1.6
181.12173	1.2
183.13809	1.1
185.11768	7.8
186.12218	1.1
195.10229	1.9
195.13866	2.5
197.11809	0.8
211.13298	3.1
212.13695	1.2
213.11266	9.7
213.14803	1.7
221.15501	1.1
223.13446	0.8
232.90912	0.8
235.08258	2.5
247.20639	1.8
253.09183	3.9
273.18570	1.3
291.19638	15.4
292.19925	1.5
293.21216	5.7
309.20688	21.9
310.21024	2.2
311.21613	0.9
431.19235	2.2
449.20175	5.5
545.29651	2.3
723.40186	1.2
741.40680	100.0
742.41028	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48971	0.8
52.89153	0.7
54.27272	1.0
57.03303	2.7
58.00454	0.9
58.93638	0.8
59.01250	10.9
61.98681	2.5
69.03348	1.1
71.01254	8.1
73.02805	1.8
75.00748	1.1
78.95748	0.8
80.20177	0.8
81.03337	1.0
83.04897	1.6
85.02808	2.8
87.00735	1.9
89.02310	4.7
95.04959	1.0
97.02805	0.9
97.06470	5.8
97.85339	0.8
101.02316	5.8
111.08030	4.7
113.02318	3.5
119.03403	1.2
121.02814	0.8
125.02329	0.8
125.09600	1.7
145.04901	1.1
149.09521	1.0
151.11176	14.2
155.10625	0.8
161.04510	1.5
167.10638	1.4
169.12256	67.0
170.12627	4.6
171.10188	4.2
183.13814	1.3
185.10210	1.1
185.11755	13.4
195.10168	3.5
195.13747	1.5
196.71455	0.9
197.11761	22.6
198.12076	1.1
199.13258	2.8
209.11777	3.4
211.13339	9.5
212.13675	2.3
213.11281	13.2
213.14751	1.8
214.11559	1.2
227.12703	3.0
235.08145	2.0
240.13948	0.9
253.09264	7.3
263.20074	1.2
265.17950	1.0
275.20273	1.0
291.19681	9.1
292.19992	1.1
293.21121	3.2
294.21533	2.0
295.22635	2.7
297.56042	0.9
300.97122	0.7
307.19022	0.9
309.20667	17.8
310.21146	2.9
311.21194	1.2
317.18570	0.8
344.58334	0.8
431.19147	3.0
449.20282	5.7
631.31085	1.1
723.39832	1.4
741.40625	100.0
742.40955	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	741.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74315	0.7
57.15854	0.7
58.81007	0.7
59.01251	6.5
61.98687	2.6
71.01252	2.0
71.52897	0.8
79.01778	0.9
85.02834	1.3
86.21553	0.8
87.01743	0.6
89.45559	0.7
109.02821	2.2
121.02811	0.9
125.02322	1.1
127.11256	0.8
151.00279	1.8
171.04372	1.2
171.10136	2.4
176.01074	0.9
177.01791	0.7
185.11768	2.7
187.03899	1.5
195.10158	1.3
197.11780	4.7
199.03868	0.9
202.02740	0.9
202.99701	1.7
203.03491	2.1
209.11725	1.4
211.13313	2.6
213.11281	3.1
215.03387	3.6
230.02049	0.9
231.02898	1.7
239.85599	0.7
243.02946	3.1
245.00943	1.3
253.09235	1.6
258.01694	2.6
259.02454	24.1
260.02914	1.3
271.02493	3.0
272.02966	0.8
273.00574	1.0
274.01120	6.9
275.01996	2.6
278.75833	0.7
286.01227	1.7
287.01984	39.2
288.02573	8.1
289.03198	1.1
291.19568	3.5
298.01126	1.6
299.01999	2.5
301.03372	1.0
302.00793	1.5
303.01453	2.7
309.20789	4.5
314.00708	2.0
315.01462	33.4
316.01965	3.6
317.03033	4.6
327.01221	1.0
329.02789	1.3
345.02502	1.9
347.04019	1.3
435.05652	30.0
436.05966	3.4
509.89304	0.9
621.25714	1.0
741.27612	100.0
742.28076	18.2
742.40521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93659	0.6
57.03317	2.1
59.01249	7.7
61.98701	2.5
69.03322	1.1
69.46348	4.2
71.01258	5.7
72.99168	1.0
73.02830	1.6
75.73502	0.5
83.04901	1.4
85.02843	1.8
87.00755	1.8
89.02306	3.7
95.04935	1.3
97.02853	2.7
97.06470	4.0
99.95380	0.6
101.02317	5.2
111.08054	1.9
113.02312	2.3
119.03378	0.9
122.33009	0.5
125.09602	1.1
151.11197	15.5
151.72359	0.5
152.11496	0.9
161.04507	1.6
163.11287	0.7
165.12737	1.4
167.10721	0.8
169.12257	86.3
170.12605	4.0
171.10229	4.2
185.11731	4.3
193.12241	0.6
195.10231	2.5
197.11771	8.8
198.12097	0.9
199.13339	0.7
207.09976	0.6
209.11829	1.3
211.13329	4.4
212.13718	1.2
213.11253	12.9
214.11719	0.7
227.12863	0.9
235.08226	1.9
247.20753	0.9
253.09232	4.8
273.18570	0.7
291.16507	0.4
291.19644	9.3
292.20163	0.8
293.21078	0.8
309.20740	10.8
310.21027	1.7
431.19168	3.1
449.20367	6.0
545.28815	0.6
633.36469	1.7
724.39636	0.6
741.40680	100.0
742.41028	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90691	0.4
58.00502	0.4
59.01253	1.4
60.24995	0.3
61.98702	100.0
62.98402	1.2
62.99138	0.6
63.99126	11.0
71.01263	1.3
73.02840	0.4
74.72283	0.4
75.00750	0.7
83.01268	0.4
83.04927	0.5
88.41913	0.3
88.98689	1.0
89.02306	0.9
101.02357	1.1
109.02776	0.4
113.02352	0.5
125.09635	0.5
151.11205	0.6
153.85751	0.4
163.11186	0.5
169.12242	2.5
171.04425	0.4
171.10199	1.6
183.13800	0.4
185.11758	2.2
187.03929	0.5
195.13844	0.5
197.11839	0.7
199.13461	1.1
201.02028	0.4
202.02649	1.5
209.11781	7.2
210.12129	3.2
211.13379	7.9
212.13683	3.6
213.11322	1.2
215.03491	0.9
223.13445	0.5
227.12773	1.8
228.13269	0.7
229.62025	0.4
230.02135	1.5
231.02979	0.7
235.08253	0.9
241.01273	0.8
243.02951	1.2
244.00053	0.6
244.03770	0.4
245.01006	1.7
253.09286	2.0
254.09453	0.6
257.00967	1.6
258.01654	1.4
259.02469	7.7
260.02783	0.5
269.00940	0.5
271.02478	1.7
272.03094	0.5
273.00436	1.3
273.03943	0.5
274.01257	1.0
275.01889	0.8
281.24634	0.4
285.00427	0.8
286.01205	1.9
287.01974	29.8
288.02551	5.0
289.03406	1.9
291.19653	3.0
292.20029	1.1
293.21176	4.1
294.21539	3.8
295.22110	0.7
297.03992	0.5
299.01968	1.7
301.03708	1.0
309.20682	5.0
310.21021	2.0
311.21979	0.5
314.00827	0.9
315.01480	18.2
316.01791	1.7
317.03036	4.7
327.01456	1.9
329.02982	0.7
330.03680	0.7
345.02512	6.4
346.02719	0.8
357.02133	0.5
449.20480	0.5
467.82452	0.4
545.30164	0.5
621.23395	25.2
622.23938	3.9
625.63660	0.5
651.24487	9.1
651.34845	0.6
652.24426	2.0
723.26062	2.0
732.01636	0.5
741.27765	27.5
741.40747	3.4
742.27985	6.2
742.39880	0.5
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
54.85833	0.1
59.01252	0.3
61.98702	100.0
73.42247	0.1
75.49433	0.1
83.04925	0.2
92.68439	0.1
98.20577	0.2
150.57538	0.1
225.16090	0.1
247.24417	0.1
274.99289	0.1
309.64633	0.1
678.49585	0.2
679.50000	0.5
680.50482	1.3
681.51251	0.1
740.49268	1.2
741.49292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01252	11.4
61.98706	19.3
66.23671	1.1
71.01259	6.3
71.51830	1.4
71.52222	1.2
75.00760	3.7
83.04894	4.9
87.00777	1.2
89.02319	3.8
97.06477	1.7
101.02327	5.2
102.02637	1.2
107.31027	1.0
109.06551	1.5
111.08084	1.4
113.02361	2.7
119.03394	1.4
121.02808	1.2
125.09639	2.9
135.07854	1.3
143.03503	1.2
151.11143	2.8
155.10651	1.7
161.04539	1.8
163.00211	1.7
163.11151	3.1
164.88997	1.2
165.12738	3.0
167.10651	1.8
169.12242	8.4
171.04463	1.5
171.10165	7.9
183.13799	2.7
185.11766	12.1
187.03915	3.0
193.12234	1.9
195.10249	1.6
195.13843	2.3
197.11790	4.2
199.09644	1.9
199.13365	4.8
200.13701	1.4
202.02698	4.6
209.11780	58.3
210.12105	30.2
211.13496	25.2
212.13739	11.9
213.11255	11.0
215.03419	4.3
220.92300	1.2
223.13332	2.1
224.13680	1.5
227.12827	9.6
228.13148	4.4
230.02190	5.1
231.02951	2.8
235.08226	4.8
241.01421	2.9
243.02966	4.5
244.00107	2.4
245.00931	3.7
253.09297	14.8
254.09523	2.8
257.00903	6.3
258.01630	5.4
259.02454	23.5
271.02454	5.7
272.03143	2.0
273.00482	2.4
274.01120	4.9
275.02051	2.5
275.20325	1.8
281.53244	1.2
285.00510	6.0
286.01248	9.3
287.01981	92.4
288.02655	22.2
289.03372	7.0
291.19678	14.3
291.87436	1.3
292.20050	6.0
293.21207	27.7
294.21567	18.6
295.21848	6.0
299.01990	4.4
301.03479	5.4
309.20734	22.8
310.21063	8.8
311.21783	2.3
313.03714	1.7
314.00916	2.7
315.01471	53.8
316.01791	6.2
317.03046	18.4
318.03296	1.4
327.01398	6.0
329.03131	2.2
330.03873	2.1
345.02496	16.3
346.02780	1.9
357.02350	1.3
379.24841	1.3
545.29218	1.7
621.23370	84.4
622.24066	17.0
633.22809	2.3
651.24524	33.0
652.24683	6.6
663.24664	1.7
723.26318	5.8
724.26599	2.1
740.40375	1.9
741.27814	100.0
741.40771	13.3
742.28082	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	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
61.98701	100.0
62.98398	0.1
66.25308	0.1
70.80622	0.2
71.01271	0.4
72.01590	0.1
75.77571	0.1
78.40308	0.1
87.00763	0.1
89.02330	0.4
101.02328	0.4
111.08076	0.2
113.02325	0.1
120.76737	0.1
125.02387	0.1
160.46344	0.1
182.76608	0.1
183.13853	0.3
185.11784	0.1
195.13873	0.1
197.11742	0.7
198.12274	0.1
199.13390	0.2
203.94342	0.1
211.13333	4.0
212.13667	1.3
212.15324	0.1
227.12856	0.1
235.08316	0.3
236.08469	0.1
240.33417	0.1
253.09207	0.6
254.09560	0.1
279.23367	0.5
280.23657	0.6
281.24042	0.2
291.19571	0.5
292.20206	0.3
293.21378	0.3
294.21475	0.2
295.23087	0.1
309.20712	1.1
310.21097	0.7
337.47171	0.1
397.13745	0.3
398.14194	0.3
399.14023	0.6
400.14307	0.2
417.15424	0.2
447.22345	0.1
464.09778	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.2
59.01252	1.8
60.01587	0.1
61.98703	100.0
62.98409	0.2
66.60682	0.1
69.03340	0.2
69.88031	0.3
69.88448	0.6
71.01252	1.3
72.01585	0.2
73.02824	0.2
83.01313	0.2
85.02824	0.2
87.00768	0.3
89.02310	0.8
101.02346	0.9
101.39230	0.1
109.06567	0.1
111.08061	0.3
113.02331	0.5
113.09595	0.2
119.03450	0.2
125.02338	0.2
133.01941	0.2
143.03329	0.1
145.04974	0.2
161.04477	0.3
165.12767	0.2
166.13248	0.2
167.10727	0.2
167.14305	0.2
169.12253	0.2
171.10205	0.2
174.37665	0.1
179.05534	0.2
180.73141	0.1
181.12329	0.2
183.13860	1.2
184.14226	0.3
185.11841	0.3
193.12285	0.4
195.13890	0.2
197.11746	1.1
198.12111	0.3
199.13336	0.8
199.60805	0.1
200.13730	0.3
209.11728	0.7
210.12163	0.4
211.13338	14.5
212.13693	4.9
213.15031	0.3
221.15512	0.3
227.12888	0.7
228.13345	0.4
235.08252	0.8
236.08635	0.3
247.20883	0.2
248.21126	0.2
253.09279	1.9
254.09634	0.4
279.23352	0.8
280.23599	0.8
281.24139	0.4
291.19675	2.6
292.20041	1.5
293.21246	1.5
294.21466	0.9
309.20709	5.8
310.21039	4.5
311.22211	1.1
397.13733	0.2
398.13867	0.5
399.14160	0.7
400.14575	0.3
418.15445	0.3
447.22495	0.4
448.22467	0.3
528.29163	0.4
545.29846	0.5
546.30048	0.8
611.30377	0.2
722.42395	0.2
740.42535	0.9
741.43030	0.2
743.68396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78378	0.3
55.01744	0.3
57.03311	1.0
57.45131	0.3
58.00464	0.5
58.49026	0.3
59.01250	5.1
61.42993	0.3
69.03332	0.7
71.01252	4.3
73.02819	1.1
73.15597	0.3
83.01264	0.7
83.04864	0.6
85.02821	1.1
87.00747	1.3
89.02322	2.7
95.01241	0.4
95.04935	0.3
97.02843	0.6
97.06467	0.8
98.20574	0.8
101.02323	4.5
111.08037	1.1
113.02323	2.2
113.09603	1.0
115.07544	0.5
119.03371	0.7
125.05988	0.4
125.09592	0.4
139.11238	0.3
141.09122	0.8
143.03365	0.4
145.04980	0.6
151.11246	0.5
155.10652	0.3
161.04460	1.7
165.12766	2.1
167.10718	0.6
167.14304	2.2
169.12251	0.8
175.11168	0.4
179.05602	0.6
181.12231	1.4
183.12195	0.4
183.13832	8.2
184.14108	0.4
185.11728	1.0
193.12277	3.3
195.13782	1.5
197.11794	2.8
199.13362	1.4
209.11771	1.9
211.13336	100.0
212.13690	5.4
213.14819	0.4
221.15337	1.4
227.12877	1.9
235.08156	4.8
240.13666	0.4
247.10304	0.3
247.20645	2.2
253.09256	10.1
253.22223	0.4
254.09630	0.5
255.15993	0.6
265.18060	0.6
273.18655	1.9
275.20093	0.4
281.21240	0.9
291.19675	22.5
292.20010	1.8
293.21219	4.1
294.21646	0.6
309.20706	62.5
310.21072	5.3
311.22269	0.6
447.22256	4.0
448.22455	0.4
485.32312	0.6
503.33765	0.7
527.28394	2.4
528.29156	0.5
545.21698	0.6
545.29645	8.9
546.30188	1.0
670.35944	0.4
721.41473	1.0
739.42426	4.8
740.43030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.8
59.01248	13.6
61.98713	7.2
69.03338	1.4
70.38496	2.6
71.01255	11.2
72.99200	1.0
73.02823	2.2
83.01284	1.1
83.04893	2.3
85.02819	2.6
87.00743	3.5
89.02319	7.3
95.01251	1.2
95.04890	1.6
97.02832	1.6
97.06470	1.5
101.02318	9.3
111.08044	4.3
113.02315	5.5
113.09605	1.4
119.03345	2.1
125.09598	1.7
141.09152	1.6
141.12665	1.1
161.04433	3.5
165.12743	12.0
167.10692	1.3
167.14288	2.7
169.12358	1.9
179.05476	1.7
179.14430	1.3
181.12292	1.8
183.13834	100.0
184.14160	5.4
185.11740	2.3
193.12335	2.1
195.13864	10.3
196.14584	1.1
197.11812	8.1
199.13341	6.3
205.12218	1.2
209.11813	9.1
211.13344	96.4
212.13756	6.3
223.13336	7.2
224.13525	1.1
227.12831	11.9
228.13412	1.8
235.08203	6.3
247.20663	1.2
253.09268	22.0
265.30566	1.0
273.18350	1.1
275.20242	5.5
276.41742	1.0
279.23206	1.2
291.19684	21.6
292.19958	1.4
293.21243	61.6
294.21603	4.8
309.20724	51.1
310.21048	4.5
434.46078	0.9
445.20676	2.0
447.22345	2.4
463.21890	3.8
527.28979	1.2
545.29565	5.5
610.51355	1.0
648.80719	1.0
721.41852	1.9
739.42743	95.9
740.43018	25.2
757.47296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.5
59.01245	10.3
61.98703	6.4
69.03323	1.1
71.01255	11.0
71.04881	1.5
73.02832	1.5
73.74040	0.7
78.95776	3.1
83.01247	0.9
83.04876	0.8
85.02811	2.4
87.00719	1.8
87.14105	0.8
89.02299	2.7
90.85844	0.8
91.03929	0.7
95.04890	1.0
97.02841	3.9
97.06461	2.5
98.19838	2.1
99.00755	11.7
101.02315	7.1
109.06462	2.4
110.03558	0.9
113.02375	3.9
119.03410	1.4
123.08030	1.0
125.09612	5.4
127.11143	1.7
142.02617	1.3
152.99493	1.5
161.04439	1.6
163.11194	8.6
171.08754	1.4
171.10182	22.7
172.10507	1.6
181.12257	15.9
183.10237	1.8
183.13748	1.2
197.11777	2.4
199.11476	1.6
199.13338	24.7
200.13708	1.4
201.11250	7.1
207.10220	31.7
208.10545	3.1
209.11723	4.4
211.13332	7.0
223.09723	1.1
225.11281	65.4
226.11604	3.2
227.12921	1.3
235.08144	2.9
243.12344	14.4
253.09241	9.2
261.50146	0.8
277.21719	66.2
278.22046	7.4
279.23227	1.1
284.03299	0.9
291.19614	2.5
293.21167	5.2
309.20822	4.2
311.22253	1.3
461.20331	13.3
462.20453	1.7
479.21292	3.1
721.41772	4.6
722.42596	1.1
739.42706	100.0
740.42993	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	739.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03312	0.6
58.00474	0.6
58.85001	0.3
59.01253	10.1
61.98689	1.4
65.03866	0.3
66.01501	0.3
69.03313	0.9
69.33942	2.6
71.01255	9.4
72.99174	0.8
73.02815	1.1
80.96371	0.7
81.03368	0.4
83.01247	0.9
83.04892	1.1
84.02040	3.4
85.02820	1.7
87.00744	1.8
89.02322	7.6
93.03307	0.5
95.01259	0.8
97.02811	2.3
97.05881	0.5
97.06469	6.1
98.06821	0.3
98.19770	0.3
99.00752	0.6
99.04397	1.1
101.02325	6.2
109.02892	0.3
111.00744	1.0
113.02328	3.7
116.92731	1.5
117.01804	0.3
119.03415	1.6
119.08488	0.3
125.02349	1.7
125.09620	1.0
132.68285	0.3
135.08064	0.4
137.02306	0.5
137.09612	0.7
140.88371	0.3
143.03412	1.0
149.04474	0.3
151.03978	0.3
151.11208	0.4
153.09280	0.3
161.04524	1.4
165.12729	0.4
168.00554	0.3
171.10176	13.1
172.10545	0.8
175.11229	0.6
179.05548	1.8
183.13887	0.4
185.11713	0.6
187.99904	0.3
193.12271	9.2
194.12596	0.5
197.15314	0.4
204.95128	0.3
211.13367	2.2
221.06572	0.7
221.11806	0.7
225.14894	12.7
226.15247	1.1
235.08182	1.2
243.15965	5.7
243.18326	0.6
253.09264	0.4
253.14432	0.7
259.75897	0.3
263.07672	0.5
279.23145	0.3
285.08627	0.3
291.19589	1.1
305.08676	0.4
305.21494	0.3
309.20724	0.4
323.22366	0.6
341.23303	100.0
342.23660	11.1
342.26819	0.3
397.13486	8.8
398.13950	0.5
415.14563	21.1
416.14938	2.0
517.18689	1.0
518.19580	0.4
739.38354	2.0
740.36700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
61.98700	2.5
70.43425	0.9
71.01241	0.6
75.00710	0.3
78.95760	0.3
83.01239	0.3
85.02802	0.4
87.00768	0.6
88.98719	0.4
89.02307	0.3
91.50809	0.3
101.02324	0.4
155.04958	0.4
167.04810	0.3
171.04419	0.5
171.10152	0.3
173.05794	0.3
174.01607	0.4
175.00281	0.7
183.04443	2.1
185.02394	0.6
189.28320	0.3
199.03880	1.4
203.03517	0.3
209.02440	0.3
211.03935	3.5
215.12738	0.3
227.03462	6.7
237.01909	0.4
238.02702	1.5
239.03371	1.9
243.03003	0.4
253.01440	0.4
254.02130	1.2
255.02966	10.5
256.03375	0.8
258.01694	0.9
259.02472	2.0
266.02203	1.3
266.20386	0.3
267.02933	1.3
268.03583	0.5
271.02536	2.7
272.03217	4.2
273.03683	0.5
279.23346	0.4
281.04495	0.7
282.01654	1.2
283.02472	100.0
284.02817	8.7
285.03928	1.8
293.21143	0.7
296.03235	1.2
297.03979	2.1
298.01108	0.7
299.01868	0.5
301.03506	0.8
304.02252	0.4
311.02090	0.6
313.03458	1.0
324.02182	0.3
324.99948	0.5
325.03522	6.7
326.03815	0.5
355.04556	0.9
385.05569	0.5
403.06677	14.3
404.06967	0.8
591.25958	1.2
607.27222	0.4
619.25470	6.9
620.25726	1.2
628.21252	0.3
685.30231	0.4
721.28534	0.4
739.29718	37.5
740.30115	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	738.5083
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01239	2.8
71.37965	2.0
78.95782	17.3
91.35620	0.9
96.18330	0.9
96.96843	1.2
98.80096	0.9
100.65202	0.9
106.52807	1.0
111.44243	1.0
118.32312	0.8
119.64249	0.9
152.99496	14.4
158.26649	1.1
200.70164	0.9
219.87859	1.0
220.70363	0.9
277.21643	4.9
279.23288	100.0
280.23682	9.5
281.24750	2.6
458.26938	1.7
476.28323	1.5
738.50830	31.6
739.51147	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	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
60.06322	0.1
61.98703	100.0
62.98418	0.2
71.01258	0.3
80.39967	0.1
85.02865	0.1
87.00770	0.1
89.02327	0.3
98.19753	0.1
101.02318	0.2
113.02340	0.1
132.62312	0.1
136.58127	0.1
149.64648	0.1
156.77200	0.1
163.11302	0.1
185.11720	0.1
195.13962	0.1
199.13330	0.1
209.11778	1.6
211.13332	1.2
223.13434	0.1
227.12926	0.2
235.08266	0.1
253.09258	0.3
277.21884	0.2
278.22098	0.4
279.23132	0.3
291.19778	0.3
293.21204	1.1
309.20596	0.4
343.66284	0.1
381.30289	0.1
397.13693	0.2
398.14069	0.3
399.14203	0.4
400.14359	0.1
631.43561	0.1
726.39746	0.1
738.51825	0.1
739.42505	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
61.98703	100.0
62.98413	0.2
62.99114	0.1
71.01260	0.3
87.00795	0.1
89.02304	0.3
101.02332	0.2
126.02702	0.1
128.47075	0.1
186.93266	0.0
199.13322	0.1
209.11896	0.1
211.13329	0.6
212.13722	0.2
225.11249	0.1
227.12958	0.2
247.73987	0.1
253.09441	0.1
277.21881	0.2
278.22162	0.3
279.22693	0.2
289.18253	0.2
291.19742	0.2
292.20093	0.1
293.21246	0.2
294.21503	0.1
309.20801	0.1
366.74738	0.1
397.13672	0.1
398.13907	0.2
399.14032	0.3
400.14410	0.2
418.15506	0.1
489.00803	0.1
492.13947	0.1
548.05048	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03324	0.8
58.00466	0.4
59.01250	6.1
61.98710	3.0
67.60246	0.3
69.03329	3.3
70.80383	0.5
70.80727	0.5
71.01254	5.3
71.04897	2.0
72.99204	0.4
73.02828	0.9
75.55291	0.3
78.95793	0.5
83.01270	0.7
83.04868	0.4
85.02836	1.5
86.73779	0.4
87.00771	0.5
88.07310	0.3
89.02318	2.2
95.01270	0.7
97.02832	0.4
97.06456	0.5
99.00752	0.5
101.02332	3.3
103.03921	0.4
106.62404	0.3
109.06517	0.5
111.04426	0.6
113.02315	1.5
119.03394	0.7
123.08051	0.6
125.09608	1.5
133.01938	0.3
137.09605	0.4
141.09161	0.3
143.03329	0.3
151.11211	2.4
153.10895	0.3
153.12755	2.2
161.04485	1.2
161.09636	2.7
169.12274	2.0
171.10191	0.7
179.10701	6.6
183.13808	0.4
195.10185	0.5
197.11774	85.5
198.12099	4.1
205.08612	1.0
207.10265	0.6
209.11780	0.8
211.13277	0.6
223.09706	3.1
223.13164	0.5
225.11246	0.7
233.22780	0.4
235.08145	0.8
241.10831	4.4
253.09303	4.0
275.20276	0.4
277.21735	30.3
278.22025	2.6
291.19754	0.9
293.21219	0.8
295.22513	0.6
307.19333	0.4
309.20667	0.8
315.53134	0.3
409.08255	0.3
459.18747	1.3
477.19791	2.9
478.19540	0.3
575.35468	0.6
581.27020	0.3
719.40308	0.9
737.41168	100.0
738.41498	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29397	0.5
57.03316	1.1
59.01250	6.8
61.98700	5.1
67.01752	0.7
69.03324	5.8
71.01245	5.5
71.04870	1.1
72.99174	0.7
73.02810	1.1
80.45690	0.5
81.03288	0.7
85.02831	1.3
87.00735	1.2
88.37360	0.5
89.02309	2.7
95.01253	0.5
97.02836	0.8
97.06432	1.0
97.59026	0.5
98.19728	0.7
99.77109	0.5
101.02326	4.4
111.04368	1.0
113.02301	1.9
119.03374	0.8
122.72752	0.5
123.08028	1.3
125.09595	1.9
149.09572	0.8
151.11209	2.9
153.12749	1.3
161.04494	1.1
161.09645	3.7
169.12192	1.3
171.10132	0.7
179.10692	8.5
180.10942	1.2
197.11763	47.6
198.12141	3.3
205.08620	0.8
223.09679	1.8
225.11305	1.5
233.22491	0.8
235.08205	1.1
241.10860	2.6
253.09203	3.6
277.21716	61.0
278.22076	6.2
291.19427	1.0
293.21118	1.7
306.63028	0.5
439.01324	0.5
445.20465	0.7
459.18451	1.4
477.19583	1.6
526.35669	0.6
586.32318	0.6
643.69153	0.6
737.41150	100.0
738.41486	25.1
741.49438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18710	0.2
55.01755	0.3
57.03318	1.0
58.00471	0.3
59.01249	6.2
61.98704	0.7
69.03322	2.0
71.01247	4.4
71.04881	0.6
73.02815	0.7
78.75576	0.2
81.03345	0.2
83.01262	0.6
83.04922	0.5
85.02829	0.7
85.06461	0.7
87.00759	1.0
89.02322	2.8
95.04918	0.6
96.63747	0.2
97.06437	0.3
101.02309	4.3
109.06463	0.5
111.08057	0.5
113.02320	2.1
119.03397	0.8
125.09673	0.4
133.10104	0.2
135.11693	0.3
143.03410	0.4
145.04980	0.5
149.09579	0.7
161.04478	1.8
161.13286	0.5
167.10713	3.5
168.11110	0.2
177.12817	0.6
179.05489	0.7
179.10753	1.4
179.14333	4.0
180.14725	0.4
183.13844	0.7
195.13832	16.8
196.14218	1.2
205.12286	10.0
205.15921	0.4
206.12784	0.5
211.13324	1.0
223.13344	100.0
224.13690	6.6
225.14912	0.7
228.13733	0.3
231.21173	0.3
235.08171	3.5
253.09261	16.9
254.09612	0.8
256.13141	0.5
265.21625	0.4
275.20139	5.0
276.20483	0.5
291.19766	0.4
293.21216	82.7
294.21539	7.1
311.90692	0.2
402.80850	0.3
441.21198	0.8
459.22339	10.2
460.22910	1.2
492.21738	0.4
499.34378	0.7
529.30341	1.1
559.93304	0.2
735.43597	1.1
736.43457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03326	0.7
59.01250	6.5
63.80790	0.2
69.03311	2.0
70.18747	0.3
71.01256	4.1
71.04874	0.8
72.99177	0.2
73.02821	0.9
83.01233	0.4
83.04896	0.5
85.02833	0.9
85.06497	0.6
87.00787	0.4
89.02322	2.0
93.03304	0.4
95.01252	0.4
95.04916	0.3
101.02332	3.7
108.05652	0.3
109.06454	0.6
111.08058	0.5
113.02323	2.4
113.09628	0.3
119.03420	0.7
125.09573	0.5
131.03378	0.4
135.11626	0.4
143.03410	0.4
149.09625	0.5
152.16745	0.3
161.04471	2.0
161.13248	0.4
167.10707	2.8
177.12779	0.4
179.05550	0.7
179.10695	1.1
179.14330	3.7
195.13840	14.3
196.14287	1.2
202.23206	0.3
205.12280	9.6
206.12616	0.6
211.13338	0.6
223.13342	100.0
224.13692	6.5
225.14874	0.5
228.13615	0.7
231.21141	0.4
235.08189	3.4
253.09262	14.9
254.09694	0.5
256.13113	0.6
275.20132	4.8
276.20538	0.3
293.21222	77.4
294.21539	7.2
396.43927	0.3
441.21246	0.4
459.15936	0.5
459.22324	8.9
460.22516	1.2
499.34488	0.8
529.30200	1.0
606.98236	0.3
735.43140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32474	1.1
57.03322	7.9
59.01248	7.2
61.98705	17.4
66.09500	1.3
69.03317	1.3
71.01244	5.9
71.52055	2.1
73.17553	1.2
75.00774	1.2
83.04900	1.7
85.02818	4.7
87.00762	1.9
89.02325	4.2
95.01266	1.9
95.04927	1.7
95.87739	1.2
97.06472	17.5
101.02332	4.4
107.50851	1.2
113.02329	2.0
123.08057	6.6
125.02338	2.7
125.09615	85.4
126.09962	4.7
143.57518	1.2
169.08537	2.2
171.10184	18.8
172.10571	1.5
185.11809	2.3
187.09692	59.8
188.10068	2.5
199.13362	4.7
209.11800	7.3
211.13319	6.3
227.12917	4.3
229.14508	4.0
253.09283	4.9
257.49539	1.2
258.01926	1.7
259.02396	2.6
271.02588	2.2
272.03192	2.8
283.02417	9.3
287.02005	3.5
301.03629	3.8
327.21756	14.7
331.04517	2.6
350.95261	1.3
405.17551	2.2
416.58337	1.3
423.18848	6.5
532.55328	1.4
613.27386	2.0
672.05200	1.5
733.30286	6.1
733.40338	100.0
734.29077	1.9
734.40558	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	733.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
61.98697	4.0
65.96770	0.3
70.26461	0.3
70.43600	1.1
71.01250	0.6
72.13934	0.3
78.95778	0.6
82.81828	0.3
89.02298	0.5
92.21192	0.4
96.95875	0.4
109.02850	0.7
113.02367	0.4
117.08667	0.3
135.04445	0.4
150.03047	0.6
164.96457	0.3
165.05557	0.5
171.10199	0.4
175.00229	0.5
183.04395	1.6
187.03841	0.5
199.03920	0.9
211.03949	3.0
226.02727	0.6
227.03462	5.7
228.03888	0.4
237.01941	0.5
238.02647	1.1
239.03429	1.7
241.04822	0.4
253.01584	0.4
253.05098	0.5
254.02071	1.0
255.02951	10.1
256.03406	1.0
258.01617	1.3
259.02478	2.3
266.02365	0.9
267.03070	1.2
269.04431	0.6
269.27057	0.3
271.02390	3.0
272.03171	4.2
281.04559	0.7
282.01706	0.9
283.02463	100.0
284.02841	8.5
285.04053	2.1
296.03214	1.6
297.04016	2.0
298.01083	0.7
301.03525	1.3
311.02005	0.8
313.03494	2.0
325.03531	6.4
326.03809	0.5
331.04654	0.9
343.04401	0.5
355.04440	1.2
360.08157	0.4
403.06662	10.7
403.12012	0.6
404.07043	0.9
457.15231	0.6
585.26990	2.5
595.15100	0.5
603.74054	0.4
613.26483	7.5
614.26672	1.3
625.26794	0.7
626.27924	0.4
643.27197	1.0
715.29309	0.4
733.30774	46.0
734.31085	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	733.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29665	0.3
54.17437	0.3
59.01252	0.4
61.98705	1.9
71.01257	0.8
71.07297	0.7
72.99167	0.3
81.03329	0.4
84.71022	0.3
96.95878	0.4
101.02337	0.4
109.02869	0.7
124.73801	0.3
125.02335	0.7
125.09634	0.3
143.04761	0.3
148.01581	0.4
150.03177	0.4
151.00270	0.5
167.03397	0.8
171.10194	0.8
175.00301	0.6
175.03770	0.4
183.04449	2.2
185.02370	0.5
199.03973	0.9
209.11790	0.5
211.03970	2.7
215.03499	0.4
225.05144	0.4
227.03477	5.4
238.02699	0.9
239.03352	1.5
253.09393	0.4
254.02148	1.1
255.02983	8.8
256.03314	0.8
258.01605	1.3
259.02441	1.9
266.02176	0.6
267.02975	0.7
268.03525	0.6
269.04190	0.4
271.02579	3.1
272.03256	4.3
281.04575	0.4
282.01599	0.7
283.02469	100.0
283.99591	0.5
284.02795	8.1
285.03989	1.8
289.18088	1.2
292.54443	0.4
295.02298	0.5
296.03311	1.5
297.04080	1.7
298.01117	1.2
299.01978	0.6
301.03485	1.5
304.02301	0.4
311.01938	0.8
313.03439	1.3
315.05130	0.4
324.02917	0.4
325.03497	6.6
326.03781	1.0
331.04547	1.0
355.04614	1.4
385.05603	0.4
403.06705	11.9
404.06961	1.3
470.45703	0.3
585.26935	2.6
586.27643	0.4
613.26544	9.1
614.26758	1.5
625.26483	0.8
636.83014	0.5
643.27423	0.9
733.30713	45.5
734.31006	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	733.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78539	0.5
61.61749	0.5
63.87564	0.5
70.26418	1.1
80.78927	0.5
101.88350	0.5
108.02033	0.9
109.02885	0.8
120.01136	2.2
122.03651	0.8
136.01547	0.9
147.02077	0.5
150.03127	3.0
151.03937	1.6
152.01071	0.8
160.29756	0.6
165.05484	3.0
167.03377	1.0
175.00374	0.6
175.07336	0.5
183.04425	1.6
190.86653	0.6
195.06529	1.3
211.03944	4.1
227.03447	6.7
228.03972	0.7
237.01993	0.8
238.02586	1.7
239.03537	1.3
240.04041	0.7
249.52588	0.6
254.02078	0.9
255.02962	10.5
256.03265	1.1
259.02524	1.4
266.02167	0.8
267.03015	0.6
271.02478	2.2
272.03244	1.3
273.04022	0.7
281.04642	1.3
282.01718	1.2
283.02478	100.0
284.02838	9.4
285.04099	1.7
296.03244	1.4
297.04007	1.7
298.01694	0.6
299.02304	0.7
301.03690	3.2
313.03537	0.9
325.03561	5.3
327.12427	1.6
331.04514	2.2
403.06696	16.4
404.07019	1.6
421.07385	1.0
451.06723	0.9
571.10938	22.1
571.20325	1.0
572.11029	3.0
585.12531	0.7
613.11816	1.0
733.16193	13.1
734.16705	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.3
57.33255	0.9
59.01250	8.3
61.98705	27.9
68.62596	1.0
69.03309	1.6
69.29991	1.3
71.01250	7.4
71.52074	1.4
71.52444	1.2
73.02818	2.0
75.00746	2.6
78.95782	1.4
80.02543	2.0
83.01261	1.4
83.04883	2.6
85.02834	2.6
87.00743	2.8
88.98624	1.2
89.02310	3.1
95.04895	2.9
97.06470	18.4
99.00729	1.8
100.73236	1.1
101.02326	5.8
113.02318	4.8
113.82549	1.1
119.03368	1.9
123.08051	10.3
125.02320	1.2
125.09612	100.0
126.09939	3.6
127.07552	1.9
153.09038	1.5
155.10654	1.2
161.04456	1.7
163.11143	2.3
164.19196	1.1
165.12694	1.5
169.08607	2.8
171.10196	10.2
185.11771	12.6
187.09682	63.4
188.09999	2.8
192.64278	1.2
197.11719	4.5
199.13399	1.2
207.10161	1.5
209.11781	24.2
210.12292	1.4
211.13281	3.0
225.11234	2.8
227.12843	1.9
235.08202	4.2
238.12186	1.2
253.09201	5.8
283.02594	2.5
287.01984	1.2
289.18054	3.1
301.03513	1.4
307.19135	16.9
325.20157	4.5
327.21704	4.1
405.17627	5.8
407.06158	1.6
423.18689	16.0
495.23810	1.3
543.28381	5.3
577.28967	1.7
653.31842	1.8
713.37543	22.8
714.37933	8.4
731.38629	79.4
732.27625	1.3
732.39020	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
61.98702	100.0
71.43187	0.4
77.89057	0.3
79.95603	0.4
80.96397	1.4
85.13654	0.3
91.25282	0.3
104.60693	0.3
128.40216	0.3
171.10178	2.0
172.10558	0.9
175.96742	0.4
180.27873	0.3
260.02072	0.3
277.21802	0.9
278.22226	0.8
291.65170	0.3
316.83868	0.3
400.90747	0.3
509.65686	0.3
668.19244	0.3
731.36530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
60.48338	0.3
61.98702	10.5
70.06933	1.0
71.01252	0.6
72.67885	0.3
73.02817	0.5
76.82504	0.3
78.95750	0.3
93.03310	0.4
109.02821	0.7
119.42677	0.3
121.02879	0.5
144.02788	0.4
150.03050	0.4
161.02419	0.3
165.05453	0.8
171.04466	0.5
183.04399	2.1
187.03967	0.4
198.03168	0.4
199.03903	0.7
209.02412	0.4
211.03952	3.5
227.03470	6.5
228.03741	0.5
237.01904	0.5
238.02667	1.2
239.03455	1.8
243.03085	0.4
253.05072	0.3
254.02228	1.1
255.02968	10.2
256.03311	1.0
258.01654	2.1
259.02417	2.6
265.01416	0.4
266.02264	0.9
267.02975	1.1
268.03647	0.6
269.04602	0.5
271.02478	2.6
272.03281	4.2
273.03876	0.5
281.04514	0.4
282.01746	1.1
283.02469	100.0
284.02820	7.2
285.03986	1.9
296.03287	1.3
297.03909	1.7
298.01129	0.7
299.01944	0.8
301.03537	1.8
311.02023	0.8
312.28497	0.4
313.03534	1.8
315.04993	0.4
325.03491	6.2
326.03830	0.5
331.04547	0.7
334.87973	0.4
353.20898	0.4
355.04706	0.8
385.05548	0.4
403.06705	12.8
404.07053	1.0
583.25397	2.4
611.24890	8.7
612.25201	1.1
641.26593	0.6
660.91095	0.4
713.27826	0.6
731.29199	40.8
732.29419	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	728.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79102	0.2
59.01239	0.4
61.98701	100.0
72.87948	0.2
75.00748	0.4
78.95799	0.3
80.56504	0.2
101.02400	0.2
101.07095	0.2
125.09599	1.0
150.53314	0.2
179.74704	0.2
187.09737	0.6
195.13799	0.2
197.11856	0.5
198.12340	0.2
199.13406	0.4
201.11296	0.5
223.13324	0.9
224.13759	0.5
225.14021	0.2
243.02927	0.2
253.09416	0.4
258.01718	0.4
259.02579	0.6
271.02542	0.7
272.03351	0.7
273.04001	0.2
287.02100	0.3
288.02509	0.2
291.19763	0.5
293.21234	0.2
301.03497	2.0
309.20758	0.4
311.22397	0.2
331.04642	1.0
696.23877	0.2
729.31128	0.6
729.41260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26448	2.6
58.86143	2.7
59.20589	3.1
66.18517	2.8
70.66216	5.9
70.66547	3.9
73.52148	2.8
78.95782	100.0
96.96819	10.0
100.27290	2.8
101.36362	3.0
124.04309	3.2
152.99500	69.0
154.66721	2.7
193.09163	2.8
195.13812	17.7
238.20525	3.2
277.21756	14.8
295.19470	6.2
295.22775	77.8
296.23087	8.3
356.16434	3.3
379.46286	3.6
431.22025	60.3
432.22580	4.6
449.23206	19.3
626.89874	3.6
727.45490	74.5
728.45923	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.6
61.98707	0.7
68.83358	0.4
71.01259	2.1
78.95776	1.0
81.29588	0.4
87.00761	0.4
89.02312	1.3
101.02338	1.7
109.00947	0.4
111.10918	0.4
113.02315	1.0
125.09650	0.5
127.11159	1.0
143.03439	0.5
152.99480	0.8
157.38745	0.4
161.04434	0.6
171.10176	85.9
172.10513	5.0
209.11813	1.3
229.68013	0.4
233.22768	0.5
235.08171	3.1
253.09253	7.9
255.23257	1.3
277.21707	100.0
278.22043	10.6
281.24872	3.5
295.22760	0.8
407.19202	1.1
509.31369	0.5
513.30756	1.0
637.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01132	0.7
57.03311	1.3
59.01250	39.9
71.01255	4.6
71.01562	0.7
73.02806	1.0
73.53790	0.8
78.95754	1.5
87.00777	1.0
87.94847	0.8
89.02297	2.0
98.20568	2.5
101.02324	3.8
101.77897	0.7
113.02315	2.1
122.75734	0.7
125.09612	1.0
127.11172	1.3
143.99362	0.8
149.40587	0.8
151.11171	3.8
152.99416	1.1
161.04489	1.3
169.12263	29.1
170.12602	2.1
171.10176	46.5
172.10471	2.3
213.11209	2.0
231.12296	2.4
235.08176	1.9
236.42552	0.9
253.09329	5.0
254.09653	0.8
263.07358	0.8
277.21710	59.3
278.22128	6.8
281.24881	1.5
295.22699	1.4
299.35336	0.8
449.20148	1.4
467.21408	1.5
509.85178	0.8
513.30737	1.1
556.19006	1.1
557.17700	1.0
578.03766	0.9
689.30060	1.0
709.42090	4.8
710.41742	1.3
727.42712	100.0
728.43134	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.1
70.85233	0.6
70.85611	0.6
71.01250	1.8
78.95786	0.5
85.02818	0.5
87.00750	0.3
89.02319	1.3
101.02321	1.2
113.02327	0.7
122.83894	0.3
123.08050	0.3
125.09669	0.5
127.11170	1.3
144.53412	0.3
153.09109	0.6
161.04503	0.6
161.56090	0.3
171.10182	100.0
172.10536	4.5
179.05577	0.5
209.11768	0.4
231.79395	0.3
235.08197	1.9
247.24066	0.3
253.09265	5.8
253.73601	0.3
255.23291	0.5
277.21722	48.2
278.22076	4.5
281.24954	1.3
295.22879	0.5
374.96500	0.3
407.19199	2.6
523.73871	0.3
528.44318	0.3
709.39581	0.4
727.49359	0.3
738.05725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95522	0.5
59.01251	41.6
61.98693	0.5
69.80410	2.9
71.01253	4.7
73.02814	0.9
78.95776	0.9
85.02827	1.4
87.00748	0.6
89.02317	2.7
98.20551	0.7
101.02338	3.6
113.02325	1.6
119.03423	0.6
127.11182	2.2
151.11197	3.1
152.99503	0.6
155.38469	0.5
161.04456	1.6
164.72147	0.5
169.12259	34.7
170.12624	2.1
171.10181	90.4
172.10503	4.4
187.13312	1.0
191.89095	0.5
211.34138	0.5
213.11183	4.0
214.11723	0.6
218.79048	0.5
231.12341	3.9
235.08163	1.0
253.09335	4.8
273.98993	0.6
277.21722	30.8
278.21982	3.4
295.22986	0.8
407.19141	2.2
449.20203	2.1
458.06909	0.5
467.21313	3.5
468.21829	0.6
709.41559	5.0
710.18909	0.5
710.42554	1.1
727.42725	100.0
728.29944	1.3
728.43018	25.8
734.25287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99474	0.9
59.01242	4.5
61.98691	2.8
71.01262	1.6
73.02829	1.1
73.05224	0.9
78.95776	1.9
88.98675	1.3
101.02306	1.7
109.02825	4.1
125.02311	1.1
151.00284	3.9
165.01865	0.9
171.10144	4.1
197.11795	1.7
199.09656	6.9
201.11255	3.2
209.11865	1.5
227.03523	1.3
228.04185	2.1
229.05035	2.8
241.05141	1.8
243.02914	2.8
244.03419	1.4
253.09206	1.7
255.02838	1.4
256.03732	7.9
257.04446	5.2
258.01801	2.1
258.05344	4.6
259.02432	3.4
269.04449	2.8
271.02448	17.9
272.03201	21.3
273.03903	7.0
281.24631	1.5
283.02509	3.5
284.03302	8.9
285.04025	77.9
286.04803	63.2
287.01941	6.9
287.05270	4.6
291.19772	2.6
297.04150	5.4
298.01031	2.5
298.04623	1.9
299.01788	4.1
299.05133	1.8
301.03400	1.9
304.01892	1.7
307.19135	2.0
309.20856	6.6
310.04590	1.3
311.02066	2.5
312.02716	6.1
313.03537	27.9
314.04071	5.8
315.05060	1.6
316.02057	5.0
318.03705	4.8
325.03540	3.8
327.05026	1.7
341.03000	7.7
343.04581	22.5
344.05191	5.1
345.16910	1.2
346.03174	5.3
353.06659	2.8
355.04568	1.5
367.08069	3.8
371.03931	6.5
376.04349	6.3
411.07388	1.4
415.06827	1.5
425.08838	2.2
433.07822	2.2
435.18692	2.0
443.05847	1.5
497.18332	5.1
509.18304	7.9
510.18704	4.4
521.18066	1.0
523.19501	1.3
525.17743	0.9
537.17334	3.7
538.18390	3.1
539.18915	1.6
551.19318	1.7
568.19226	2.7
607.25507	51.5
608.26013	10.4
637.26477	38.5
637.37268	1.6
638.26538	6.0
658.22162	2.1
709.28442	18.8
710.29169	4.0
727.29657	100.0
728.29962	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	727.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
61.98725	1.7
63.18953	0.5
66.52116	0.6
69.65211	3.3
71.01255	1.6
73.02825	0.7
78.95784	1.0
85.02848	0.7
89.02339	0.9
97.02831	0.8
99.00757	1.0
101.02328	1.4
113.02325	0.8
115.00269	0.7
125.09583	0.9
129.80423	0.6
132.02917	1.0
145.05136	0.7
155.10699	0.7
163.11206	0.8
171.10150	1.6
181.12280	1.3
195.13770	1.2
197.11755	1.5
199.09750	3.8
199.13345	0.8
201.11322	2.6
202.02643	0.9
203.03392	0.7
205.12259	1.4
207.10202	4.2
208.10725	0.6
211.13538	0.7
215.03508	1.1
223.13371	9.6
225.11282	7.4
229.01445	0.5
230.02153	1.2
231.03038	0.9
235.08186	0.9
243.02937	1.5
243.12379	1.1
244.03865	1.1
245.00908	1.7
253.09300	1.9
257.00867	1.2
257.04361	0.6
258.01633	1.7
259.02463	11.0
260.03049	2.0
271.02518	1.7
272.03314	1.4
273.00555	2.4
274.01166	5.3
275.01956	13.3
276.02237	0.6
281.24902	1.1
285.00385	0.6
286.01053	1.6
286.04193	0.7
286.98700	1.0
287.01974	28.4
288.02744	100.0
289.03192	8.2
291.19672	1.6
297.04388	0.5
299.02002	2.2
300.02667	1.0
301.03564	4.0
302.04224	1.2
303.01419	3.1
307.19278	1.0
309.20688	4.7
314.00598	0.7
315.01447	13.3
315.98538	1.3
316.02240	25.4
317.02863	7.5
318.03687	0.7
320.01709	7.0
327.01498	1.8
328.02100	1.4
329.02802	3.5
330.03522	0.7
345.02405	4.0
346.03217	8.9
347.03723	1.4
359.04300	0.6
375.03497	1.2
417.04630	0.7
418.05225	1.6
419.05978	0.8
420.06860	1.4
435.05688	6.5
436.06454	42.2
437.06808	4.8
461.20071	2.5
607.21844	11.9
608.22400	1.7
637.22668	5.2
638.22998	0.7
667.34113	2.9
709.25458	2.0
709.37988	0.7
727.26093	28.9
727.38690	1.3
728.26501	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91381	1.0
56.63896	1.1
57.37569	1.1
59.01239	5.2
61.98709	6.5
62.54069	1.3
71.01252	1.5
72.99228	1.0
75.00771	1.1
82.14931	1.1
90.09574	1.1
91.43133	1.3
101.02353	1.3
125.02292	1.3
137.02293	1.3
148.22556	1.2
151.00273	2.3
159.04494	1.2
171.10184	2.0
176.01031	1.2
177.01772	2.4
187.03821	2.6
201.11099	2.0
203.03386	2.4
209.11790	1.5
211.13312	1.7
215.03423	3.8
229.14758	1.7
231.02942	2.6
243.02972	2.7
245.00743	1.3
259.02463	28.1
260.02753	2.0
271.02463	2.9
272.03342	1.9
274.01190	8.8
275.01920	12.5
283.02271	1.2
287.01984	45.7
288.02744	53.0
289.03070	4.5
291.19574	1.7
297.00604	1.3
299.01932	3.1
301.03436	2.8
303.01398	10.1
314.00491	2.4
315.01477	28.4
316.02228	27.6
317.03033	11.3
320.01807	11.3
327.01260	2.2
329.02924	2.3
329.23288	6.8
345.02383	4.4
347.04111	2.1
415.14600	1.9
435.05673	72.3
436.06445	100.0
437.06894	10.0
451.84058	1.3
607.21332	2.3
667.26807	2.6
727.26038	52.4
728.26440	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
58.00465	0.9
59.01247	4.3
69.03320	0.9
71.01248	4.7
72.99163	1.4
73.02829	1.3
75.00745	1.5
76.91835	0.7
77.45712	0.6
78.95782	1.3
83.01243	0.9
85.02823	0.9
87.00726	0.9
89.02312	3.6
97.06476	1.0
98.19769	1.3
101.02329	4.7
104.46165	0.6
107.94884	0.6
113.02330	2.5
119.03365	0.7
123.08084	0.7
125.09625	2.1
139.11209	2.6
141.12720	1.9
152.99594	0.7
153.09026	0.7
155.10559	0.8
161.04453	0.8
167.10707	2.7
171.10155	1.8
185.11754	100.0
186.12169	4.1
195.13962	0.8
201.11320	1.0
209.11781	3.1
211.09738	0.8
211.13310	7.4
212.13760	0.7
227.12738	0.9
228.13002	0.8
228.56146	0.7
229.10808	2.3
235.08199	1.5
253.09256	5.2
277.21716	36.0
278.22107	4.1
279.23386	3.1
281.24414	0.7
285.03751	0.7
293.21225	1.5
295.22833	4.5
447.18530	1.2
465.19345	3.0
521.37762	0.8
707.38336	0.9
725.41107	79.6
726.41327	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	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
58.00465	0.9
59.01247	4.3
69.03320	0.9
71.01248	4.7
72.99163	1.4
73.02829	1.3
75.00745	1.5
76.91835	0.7
77.45712	0.6
78.95782	1.3
83.01243	0.9
85.02823	0.9
87.00726	0.9
89.02312	3.6
97.06476	1.0
98.19769	1.3
101.02329	4.7
104.46165	0.6
107.94884	0.6
113.02330	2.5
119.03365	0.7
123.08084	0.7
125.09625	2.1
139.11209	2.6
141.12720	1.9
152.99594	0.7
153.09026	0.7
155.10559	0.8
161.04453	0.8
167.10707	2.7
171.10155	1.8
185.11754	100.0
186.12169	4.1
195.13962	0.8
201.11320	1.0
209.11781	3.1
211.09738	0.8
211.13310	7.4
212.13760	0.7
227.12738	0.9
228.13002	0.8
228.56146	0.7
229.10808	2.3
235.08199	1.5
253.09256	5.2
277.21716	36.0
278.22107	4.1
279.23386	3.1
281.24414	0.7
285.03751	0.7
293.21225	1.5
295.22833	4.5
447.18530	1.2
465.19345	3.0
521.37762	0.8
707.38336	0.9
725.41107	79.6
726.41327	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40767	0.5
55.01765	0.9
57.03329	1.7
58.00446	0.5
59.01251	8.0
63.45415	0.6
69.03324	1.0
71.01252	6.8
73.02838	1.5
83.01262	0.9
83.04910	0.7
85.02837	1.6
87.00748	0.9
87.48423	0.4
89.02317	4.8
97.06456	4.0
101.02322	5.7
106.61160	0.4
107.42309	0.5
113.02332	2.7
119.03393	1.4
131.03284	0.5
133.10139	0.5
149.09662	0.6
151.09914	0.7
151.11180	14.6
152.11578	0.7
161.04491	1.5
169.12254	100.0
170.12582	6.6
171.10118	0.6
194.02284	0.5
195.10199	1.8
195.13850	3.8
197.11743	2.9
213.11272	12.6
214.11726	0.7
223.13290	2.2
229.43420	0.6
235.08223	2.0
253.09241	3.9
275.20123	1.4
277.36365	0.5
279.23300	1.1
280.23685	0.7
293.21228	13.0
294.21518	1.4
309.20706	1.6
335.39606	0.6
431.19257	2.1
449.20242	8.3
450.20615	0.9
457.05286	0.6
626.54095	0.6
725.41107	90.4
726.41418	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	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41610	0.8
57.03323	2.5
59.01248	14.3
61.98693	3.6
64.89751	1.0
69.03326	2.5
70.00827	1.0
71.01256	9.7
71.51633	1.2
72.99179	1.0
73.02821	2.2
73.92016	0.9
78.95716	1.0
83.04891	1.1
85.02817	2.3
87.00736	1.4
89.02306	5.4
95.01270	1.2
95.04917	2.1
97.02914	1.3
97.06456	3.5
101.02319	9.5
113.02322	1.8
119.03429	1.2
129.01776	1.1
141.09137	1.2
151.11206	10.3
153.09103	1.1
161.04457	2.5
165.12769	1.4
167.10651	1.2
167.14442	1.2
169.12250	50.6
170.12595	1.2
171.10161	1.6
181.12236	2.1
185.11737	3.3
193.12311	1.4
195.10178	1.9
195.13840	4.7
197.11771	100.0
198.12044	5.6
199.13377	5.9
211.13316	4.7
212.13582	1.1
213.11296	8.0
214.16629	1.0
221.15353	1.6
223.13393	2.6
235.08173	7.5
253.09218	13.6
273.18503	2.0
275.20163	2.4
281.24829	1.5
289.18146	2.5
291.16422	1.0
291.19647	21.2
292.19943	3.1
293.21237	21.7
294.21576	2.9
307.19019	1.3
309.20709	63.9
310.21115	5.0
431.19205	2.3
433.20587	3.2
449.20139	2.1
471.31174	1.3
489.32181	1.7
527.28558	3.6
545.29688	7.2
546.30011	1.8
707.39960	3.0
725.41144	58.6
726.41504	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66303	0.3
57.03324	0.9
58.00451	0.3
58.31918	0.2
59.01250	13.9
61.54728	0.3
61.98704	1.5
69.03333	2.6
71.01257	3.7
71.04890	0.9
72.99161	0.7
73.02804	0.6
78.95780	0.4
83.01256	0.5
83.04874	0.7
85.02804	0.8
85.06466	0.6
87.00778	0.5
89.02323	2.3
93.03348	0.5
95.04850	0.4
97.02821	0.5
97.06510	0.3
101.02324	2.7
109.06534	0.7
111.08038	1.4
113.02325	1.8
119.03366	0.7
125.09640	0.7
133.04987	0.4
143.03369	0.4
145.04951	0.6
149.09587	0.6
151.11177	0.3
153.09131	0.5
153.12712	0.5
161.04462	1.1
161.13219	0.4
165.12790	0.3
167.10687	3.0
169.12254	2.1
171.10130	1.4
177.12808	0.4
179.05484	0.8
179.10744	1.4
179.14343	2.7
185.11703	1.3
195.13835	9.6
196.14128	0.5
197.11771	32.1
198.12083	1.6
199.13312	1.1
205.12271	9.8
206.12639	0.8
209.11757	0.4
211.13319	1.3
213.11273	0.9
223.13345	100.0
224.13680	6.5
227.12569	0.3
235.08174	4.0
247.20609	0.4
253.09273	8.1
279.23450	0.5
289.18234	0.4
291.19656	4.9
292.19998	0.4
293.21210	2.4
309.20728	10.9
310.21063	1.0
399.92795	0.3
411.25327	1.1
429.26489	1.2
429.51837	0.3
433.20749	1.1
441.21240	1.9
459.22339	13.6
460.22641	2.1
527.28564	0.5
545.29572	0.5
621.32709	0.4
647.34180	2.2
648.34894	0.5
665.35712	2.8
666.35834	0.6
725.39764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03323	1.8
58.00461	0.8
59.01251	9.4
61.98700	1.4
69.03333	1.4
69.50540	1.9
71.01254	8.4
72.99168	0.6
73.02824	0.7
81.03313	0.5
83.01260	0.9
83.04888	0.8
84.02061	0.3
85.02821	6.4
87.00751	1.5
89.02309	8.1
89.02839	0.6
95.01230	0.6
95.04900	0.6
97.02821	1.7
97.06467	2.8
99.00739	0.5
101.02321	5.6
111.04420	0.3
113.02335	3.0
119.03365	1.8
123.08022	0.6
125.02328	1.4
125.09599	1.0
127.11174	1.7
134.51035	0.2
137.02405	0.3
137.09608	1.5
143.03401	1.1
155.10611	0.4
155.14265	0.3
161.04410	1.1
165.12750	0.9
167.10725	0.3
167.14317	0.6
171.10179	16.5
172.10498	0.7
177.12755	0.8
179.05537	2.0
183.13820	3.1
185.11765	1.0
193.12296	0.9
197.11687	0.5
199.13382	0.3
201.11212	0.6
209.11757	1.2
211.13335	16.5
212.13673	1.1
221.06566	0.7
221.11787	2.5
227.12886	0.4
229.14407	11.7
230.14740	0.6
233.01266	0.3
235.08173	1.6
239.12859	2.1
247.20653	0.5
249.32375	0.3
253.09305	0.8
283.02390	0.3
284.02975	0.4
291.19641	3.1
291.57166	0.3
297.03711	0.4
309.20584	1.3
323.09991	0.4
327.21750	100.0
328.05359	0.3
328.22104	11.1
397.13638	2.1
415.14578	23.5
416.14917	2.2
545.30206	0.5
725.23816	0.6
725.35663	3.1
726.36237	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.4
57.92169	0.3
59.01252	5.7
69.03326	0.7
71.01252	4.7
71.51963	0.5
72.99181	0.3
73.02807	1.1
75.73129	0.3
83.01272	0.5
83.04889	1.7
85.02815	0.8
87.00758	1.0
89.02315	3.0
95.01250	0.4
95.04919	0.6
99.00781	0.4
101.02335	3.8
113.02328	2.1
119.03391	0.8
125.09593	0.6
143.03375	0.4
145.04941	0.5
155.09544	0.4
161.04457	1.3
163.11209	1.6
165.12723	1.2
167.14375	0.6
167.48482	0.4
169.12276	0.4
172.85854	0.3
179.05519	0.9
179.14362	0.4
181.12239	0.5
183.13844	5.3
191.10774	0.4
193.12335	0.9
195.13815	4.3
196.14481	0.5
197.11894	0.5
199.13390	2.0
205.15977	0.5
208.10435	0.4
209.11787	27.4
210.12093	1.4
211.13350	100.0
212.13699	6.4
223.13400	2.8
227.12846	8.4
228.13365	0.9
235.08231	3.7
253.09286	13.4
254.09602	0.7
256.13071	0.6
275.20145	3.5
277.21732	23.1
278.22086	1.9
293.21237	53.3
294.21594	4.7
445.27011	0.4
447.17773	0.3
447.22528	3.6
463.21536	1.4
529.30219	0.8
723.41229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59681	0.2
57.03320	0.3
58.00457	0.3
59.01250	4.3
61.98705	0.7
64.63708	0.2
69.03322	0.5
70.84618	0.4
71.01255	2.7
73.02814	0.6
78.95827	0.2
81.03323	0.4
83.04903	1.0
85.02835	0.6
87.00758	0.7
89.02309	2.6
89.64185	0.2
101.02325	3.1
111.08030	0.3
113.02312	1.4
119.03379	0.6
143.03398	0.3
154.83849	0.2
155.10660	0.4
161.04443	1.0
163.11188	0.7
165.12779	0.6
167.10692	0.4
167.14337	0.5
179.05492	0.6
179.14371	0.4
181.12305	0.3
183.13821	6.4
193.12285	1.6
195.13872	4.3
196.14456	0.3
205.12300	0.4
209.11771	15.1
210.12177	0.7
211.13332	100.0
212.13673	5.7
223.13368	2.7
224.13849	0.3
227.12874	1.9
228.13503	0.3
235.08188	3.5
252.69534	0.2
253.09258	13.3
254.09610	0.6
256.13193	0.5
275.20190	3.7
277.21713	8.4
278.22098	0.8
293.21213	58.2
294.21573	5.2
396.70123	0.2
447.22409	4.4
448.22919	0.3
487.34262	0.8
529.30219	0.5
686.35144	0.3
723.41614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01250	3.9
59.01536	0.3
69.03327	0.4
69.57862	0.9
71.01257	3.3
73.02826	0.6
76.24317	0.2
80.02561	0.1
81.03316	0.3
83.01267	0.4
83.04903	0.7
85.02849	0.7
87.00758	0.8
89.02333	2.4
95.01259	0.3
95.04880	0.2
97.02834	0.2
101.02332	3.1
111.08057	0.3
113.02325	1.6
113.09589	0.3
118.89274	0.1
119.03373	0.7
123.77241	0.2
125.02376	0.3
133.04878	0.2
143.03401	0.2
145.04973	0.4
161.04434	1.3
163.11186	0.2
165.12793	0.5
167.10683	0.6
167.14302	0.4
171.10219	0.3
179.05534	0.5
179.10782	0.2
179.14316	0.5
181.12244	0.3
183.13841	7.1
184.14188	0.3
193.12288	1.8
195.13850	4.5
196.14694	0.2
205.12242	0.3
205.16081	0.2
209.11784	10.0
210.12050	0.5
211.13347	100.0
212.13696	5.3
223.13354	3.4
224.13609	0.2
225.11337	0.3
225.15067	0.2
227.12828	1.1
228.13626	0.6
231.21176	0.4
235.08211	3.1
253.09285	12.5
254.09561	0.6
256.13095	0.6
265.21732	0.2
275.20184	3.7
276.20535	0.4
277.21747	5.1
278.22086	0.5
293.21237	51.8
294.21579	4.0
305.70526	0.2
434.05563	0.2
447.22403	4.4
448.22946	0.5
487.34195	0.5
529.30090	0.6
680.33179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03304	2.3
58.00461	1.5
58.33900	0.8
59.01250	37.5
61.98704	1.8
66.66013	0.8
69.03325	3.1
69.52095	5.5
71.01254	29.2
71.04886	2.7
72.99181	2.3
73.02831	4.3
78.95696	0.8
80.02526	2.0
81.03323	2.8
83.01276	3.0
83.04889	5.6
84.02032	2.5
85.02814	6.2
87.00745	6.8
87.04377	1.0
89.02316	26.1
93.03364	1.4
95.01243	1.7
95.04909	2.3
97.02813	5.6
97.06493	2.8
99.00749	2.1
99.04395	2.9
101.02324	20.4
109.02837	1.5
109.06464	7.0
112.05212	2.0
113.02338	10.7
115.07549	2.0
119.03389	6.4
121.02859	1.6
123.07939	1.1
125.02366	6.9
125.09644	5.2
127.07559	4.7
127.11196	2.1
135.08047	4.0
137.09663	1.1
139.07642	0.9
141.01836	0.9
143.03409	3.0
149.04440	1.0
151.11185	1.2
153.09117	20.4
155.10657	2.5
161.04431	3.8
163.11197	4.3
165.12759	3.5
167.10677	0.8
169.12234	2.1
171.10182	33.9
172.10533	1.4
174.10553	0.9
178.09903	3.1
179.05565	6.1
181.12244	2.0
183.13864	2.0
185.11789	5.3
191.10730	1.6
191.14307	2.1
193.12312	1.6
197.11775	19.0
198.12134	1.4
199.13423	1.1
207.10144	1.3
209.11766	59.7
210.12097	3.8
211.13313	8.8
219.53815	0.8
221.06662	2.3
225.11276	1.3
227.12886	2.5
235.08157	6.8
235.13336	2.7
238.12042	3.8
243.02847	1.4
245.19135	2.8
253.09258	1.6
259.02771	1.1
263.07809	1.0
263.20145	1.8
264.63336	0.9
271.02478	2.4
272.03271	6.5
273.03894	1.1
283.02667	0.9
287.01843	1.1
289.18100	11.0
290.18491	1.9
297.20706	3.9
300.02698	1.8
301.03577	1.4
305.08807	1.3
307.19144	87.5
308.19510	7.5
325.20187	100.0
326.20529	8.3
397.13522	29.0
397.18149	0.8
398.13672	2.9
415.14578	42.8
416.14859	2.5
459.09354	1.2
463.08163	1.1
569.24524	1.1
603.20538	1.3
636.26251	3.1
705.33411	23.7
706.34155	4.3
723.24695	3.5
723.35510	12.9
724.24884	2.1
724.36053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.3
57.03322	2.3
58.00467	1.0
59.01250	36.8
61.98703	8.7
69.03321	2.2
71.01254	31.7
71.04913	2.3
71.05772	2.1
71.06153	1.1
72.99167	2.1
73.02821	5.8
81.03317	2.2
81.70193	0.9
83.01249	4.1
83.04890	6.8
84.02055	1.3
85.02824	7.8
87.00747	6.0
89.02316	29.7
95.01291	1.2
95.04893	2.0
97.02808	5.4
97.06444	2.7
99.00738	2.6
99.04386	2.6
99.08012	0.9
101.02319	22.7
103.58454	0.9
107.04928	0.9
108.02033	1.8
109.02821	1.6
109.06456	6.4
111.00715	1.3
111.04371	1.1
111.07999	1.2
112.05146	1.5
113.02335	9.4
115.07513	2.1
119.03378	6.1
121.02845	1.0
122.03650	1.2
123.00806	1.0
123.07977	1.5
125.02327	6.5
125.05929	1.5
125.09627	5.0
127.07527	4.1
131.03374	1.2
132.68692	0.9
135.04402	3.9
135.08055	3.9
137.02342	1.1
137.09572	1.3
139.03946	1.3
139.07536	1.1
141.01852	1.3
143.03368	2.8
149.02325	1.4
152.00986	3.3
153.07860	1.1
153.09117	21.8
153.12743	1.5
154.09410	1.1
155.10646	1.8
160.01547	1.4
161.04471	4.8
163.11148	3.6
163.12364	1.0
165.12733	3.0
167.03444	5.4
167.10509	0.9
169.12263	3.6
171.10176	28.6
172.10582	1.1
175.03923	1.7
175.14586	0.9
178.09882	3.6
179.03421	2.9
179.05531	6.4
181.12279	1.2
183.13850	1.5
185.11784	7.2
191.10669	2.0
191.14304	1.6
193.05038	1.5
197.11754	16.7
199.13344	2.2
201.11115	1.5
207.10194	2.2
209.11763	64.3
210.12140	3.6
211.13332	9.8
219.13785	1.0
221.06625	2.2
227.12874	1.7
235.08226	4.9
235.13361	2.0
236.10454	1.2
237.14799	2.4
238.11990	2.2
243.02858	1.5
244.03641	2.7
245.19028	4.2
253.09206	2.1
263.20142	2.2
265.18146	1.0
271.02460	4.4
272.03201	9.4
273.03406	1.4
279.19714	1.5
283.02484	1.9
287.01962	1.5
287.07715	1.0
289.18076	12.2
290.18484	1.3
297.20706	2.0
299.01892	1.2
300.02731	2.4
301.03433	1.5
304.02167	1.2
305.08801	1.2
307.19131	81.1
308.19583	6.8
325.20181	100.0
326.20493	9.3
351.52451	1.2
352.54211	1.0
353.72794	1.2
370.66098	1.0
397.13440	32.2
398.13678	2.7
415.14575	43.4
416.14911	3.2
420.06906	1.8
433.48093	0.9
454.54935	1.0
460.80219	1.2
463.08752	1.5
463.97092	1.0
473.13480	1.1
479.69537	1.0
507.64160	1.0
569.24127	2.0
599.14966	1.1
603.20886	3.5
604.21002	1.2
636.26831	1.8
705.33392	23.3
706.33807	3.9
723.23132	7.9
723.36249	9.9
724.35577	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	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	34.7
61.98704	17.9
69.95683	1.7
71.01256	28.8
71.52660	2.1
72.99170	4.1
73.02831	4.8
78.95777	4.8
81.03303	1.7
81.73402	1.5
83.01265	3.4
83.04889	1.9
85.02838	8.4
87.00748	7.9
89.02312	27.7
95.01222	1.9
97.02841	4.9
101.02317	21.1
111.04454	2.1
113.02347	10.4
119.03381	7.1
125.02368	8.8
126.10641	2.0
143.03380	6.7
152.99471	5.0
161.04454	6.7
171.10147	2.2
179.05498	3.5
195.10124	2.7
199.09801	1.7
209.11752	17.3
211.13196	4.2
215.12769	6.2
217.54468	1.9
235.08192	11.8
253.09256	5.9
255.23251	5.4
262.45581	1.9
263.20142	66.7
264.20462	4.8
287.07617	2.5
293.21243	7.3
305.08923	3.3
379.12787	1.9
397.13467	100.0
398.13770	8.1
415.14478	27.9
416.14944	2.4
424.22467	2.1
728.91772	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03329	2.3
58.00463	1.5
59.00953	1.6
59.01252	32.5
61.98706	25.1
69.03329	2.3
71.01256	26.0
72.99172	1.7
73.02829	4.2
75.00770	1.0
78.95792	2.3
81.03311	1.2
83.01264	3.1
83.04874	1.2
85.02843	4.6
87.00756	5.3
89.02315	25.4
93.03343	1.1
95.01241	1.8
95.04875	0.9
97.02818	5.3
99.00710	0.8
101.02325	22.2
103.00298	0.8
106.72031	0.8
107.04903	0.9
111.00768	1.5
111.07980	1.0
113.02328	11.7
119.03371	6.6
120.91330	0.7
121.02869	1.2
125.02349	8.9
125.09652	1.4
131.03421	1.1
142.09512	0.8
143.03391	4.4
151.11090	0.9
161.02364	0.9
161.04451	5.9
163.11322	1.3
165.12785	4.6
169.12305	2.9
171.10208	2.9
179.05556	5.8
181.12279	1.6
183.13808	2.0
191.14333	1.2
195.10298	1.5
209.11720	4.4
211.13336	5.6
221.06807	1.5
229.96021	0.9
235.08194	8.3
247.20674	3.0
253.09256	2.3
255.23282	3.6
263.07745	1.0
273.18671	3.3
287.07715	1.0
289.18024	1.7
291.19653	46.8
292.19980	6.3
295.22797	1.0
305.08804	1.7
308.19852	1.5
323.22269	100.0
324.22684	9.4
379.12253	1.2
387.49005	0.8
397.13486	60.5
398.13815	5.3
415.09027	1.7
415.14569	33.7
416.14951	1.8
599.34290	1.0
721.37573	2.3
721.49225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55558	0.4
50.82557	0.4
53.22789	0.4
55.01763	1.1
57.03315	1.9
58.00479	2.3
59.01252	34.7
61.98708	5.0
69.03315	1.8
69.19942	1.0
69.20335	4.7
71.01253	28.0
72.99173	2.3
73.02815	4.4
73.57491	0.4
75.00728	1.1
78.95789	0.8
81.03323	1.1
83.01252	2.9
83.04893	0.8
85.02821	6.1
87.00755	6.7
89.02318	27.3
90.02647	0.6
91.03880	0.8
93.03365	0.8
95.01253	1.8
97.02827	5.0
99.00750	1.2
101.02323	20.5
109.06557	0.6
111.04417	1.2
111.08043	0.9
113.02328	9.6
113.09633	0.7
119.03391	7.5
121.02660	0.5
123.04369	0.5
123.08096	0.6
125.02335	7.6
125.06008	0.5
125.09597	1.1
131.03365	1.3
133.04967	0.8
139.03899	0.8
141.01880	0.6
143.03400	3.9
149.04463	0.7
151.12500	0.5
152.99434	0.7
161.04449	4.3
163.11206	1.1
165.09172	0.5
165.12746	4.1
179.05504	5.7
181.12297	0.7
183.13824	1.0
185.04506	0.6
191.14330	0.7
193.12302	1.5
195.13791	0.6
197.11806	0.9
201.98042	0.5
209.11745	0.9
211.13318	1.1
217.07109	1.0
217.15895	0.5
221.06656	1.5
221.11839	0.6
221.15556	0.6
235.08203	7.2
247.20627	2.1
253.09222	1.4
255.23260	0.9
263.07703	0.7
263.20203	0.6
273.18594	2.2
287.07779	1.9
291.19653	54.2
292.20029	4.5
305.08755	1.6
308.19800	1.3
323.09763	1.5
323.22263	100.0
324.22586	8.5
397.13483	59.0
398.13962	4.9
415.14542	34.1
416.14774	2.2
454.65628	0.5
671.33691	0.8
703.36359	0.6
721.37451	4.1
722.36969	0.9
729.88971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.2
59.01252	11.3
61.98703	14.1
71.01266	10.3
71.04887	4.7
71.51721	1.0
71.52077	1.5
72.99166	1.8
73.02831	1.9
75.00777	1.2
78.95774	1.7
79.73781	1.1
81.03322	1.3
83.01240	1.7
83.04893	3.0
85.02825	1.8
87.00732	3.0
89.02315	5.9
93.03329	23.3
95.01272	1.6
96.95834	1.4
97.02840	5.1
97.06429	2.5
99.00753	17.4
101.02324	6.2
109.02834	2.0
109.06463	2.0
113.02330	3.4
122.03915	1.2
123.08050	1.8
125.09647	8.8
135.08105	1.2
137.02341	59.3
138.02705	1.7
140.19167	1.1
148.05153	2.9
151.00279	1.2
161.02342	1.4
161.04451	2.2
163.07616	1.2
163.11211	9.8
165.12781	2.0
168.88713	1.2
171.10176	5.0
179.05490	1.6
181.12265	17.6
187.99879	1.2
197.11705	2.9
199.13333	10.3
207.10205	25.7
209.11769	43.0
210.12100	3.2
225.11275	37.5
226.11546	2.2
227.12807	3.3
243.12331	22.2
244.07533	1.3
244.12735	2.1
245.32762	1.1
253.09274	3.9
261.55090	1.2
283.02496	2.6
287.16492	1.6
293.21143	2.6
305.17426	3.8
314.42996	1.2
397.13412	2.7
415.14371	1.6
420.54868	1.8
461.20334	3.2
479.21323	7.3
577.19037	6.1
584.29596	1.3
601.26172	1.8
619.20148	2.1
660.75848	2.2
671.33527	3.6
689.33936	100.0
690.34381	18.7
703.31714	1.7
720.78070	5.0
721.27258	2.4
721.37067	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	721.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
60.52865	0.4
61.98691	1.8
63.93320	0.3
69.15861	3.6
71.01247	0.6
71.77147	0.4
78.95773	0.4
82.57661	0.4
89.49895	0.4
98.19796	0.8
109.02802	0.5
113.09560	0.6
127.11192	0.5
127.70762	0.4
151.00224	0.5
183.04422	1.8
199.04010	0.5
211.03908	2.8
225.11449	0.4
227.03386	4.1
237.18604	0.5
238.02824	0.7
239.03467	1.5
254.02409	0.6
255.02954	7.4
255.19644	5.8
256.19952	0.5
257.04514	0.5
257.17563	14.3
258.01694	0.9
258.17947	1.1
259.02505	1.7
266.02191	0.7
269.04300	0.6
271.02490	2.4
272.03162	1.7
281.04468	0.4
282.01740	0.5
283.02472	100.0
284.02835	8.4
285.04059	2.5
296.03140	0.6
297.03903	1.8
298.01285	1.1
299.02032	1.0
299.18695	0.9
301.03589	2.6
313.03629	3.2
317.19647	8.2
325.03580	4.6
331.04706	1.2
332.04633	0.4
339.04965	0.6
343.04419	0.9
355.04706	0.8
369.45648	0.5
403.06693	33.3
404.07166	3.7
487.44800	0.4
513.21387	0.7
573.24701	0.5
599.42261	0.4
601.23022	3.0
721.27148	44.2
722.27496	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	721.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.98690	2.2
62.77232	0.4
70.91891	1.0
70.92229	0.5
71.01248	0.8
81.56420	0.4
96.99983	0.4
108.02027	0.5
113.02302	0.5
173.02361	0.6
175.00217	0.6
183.04538	1.0
184.40424	0.5
199.03795	1.0
200.98964	0.5
201.77490	0.5
211.03983	2.2
219.17592	0.6
227.03470	5.2
237.18665	0.5
238.02719	1.1
239.03424	1.5
254.02217	0.8
255.02945	6.5
255.19614	2.1
258.01688	1.7
259.02374	2.3
271.02429	2.7
272.03171	2.1
273.03992	0.5
273.20544	0.7
281.17609	1.5
283.02475	100.0
284.02829	7.6
285.04034	2.5
296.03177	1.1
297.04062	1.7
298.01111	1.5
299.01981	1.1
299.05246	0.7
299.18622	3.3
301.03531	3.9
313.03656	2.7
317.19678	8.9
318.20221	0.8
325.03568	4.9
331.04535	2.4
343.04559	0.9
355.05042	0.8
357.06314	0.7
403.06699	28.1
404.07086	2.1
480.51437	0.5
480.83466	0.5
555.22076	0.7
573.23218	1.6
601.23016	3.2
685.40063	1.6
720.40582	0.6
721.27179	40.2
722.27606	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	719.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07286	0.2
57.03320	2.2
59.01247	0.5
61.98700	2.4
67.01759	2.7
67.77151	0.1
71.01251	0.5
72.99190	0.2
78.95792	0.3
83.01254	0.2
85.02818	1.3
87.00751	7.0
89.02315	0.4
97.02792	0.2
98.20558	0.4
101.02345	0.6
106.38724	0.1
110.02087	0.1
111.00764	100.0
112.01099	2.0
112.98709	0.3
113.02352	0.3
115.00240	0.1
129.01825	0.6
154.99808	0.3
160.80946	0.2
161.04553	0.2
171.10210	0.5
173.00830	11.0
174.01263	0.2
185.11665	0.1
191.01929	0.2
191.72508	0.1
195.13860	0.3
197.11794	0.2
209.11784	0.2
211.13361	0.2
247.20314	0.2
253.09135	0.8
255.23289	0.2
272.03262	0.2
291.19760	0.5
293.21188	1.2
309.20609	0.9
310.20963	0.2
318.86392	0.1
359.22638	0.1
403.06635	0.2
545.29865	0.3
572.00214	0.2
657.30994	0.2
719.30981	2.2
720.28479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03319	2.8
59.01251	6.5
61.98702	13.0
62.36520	0.3
67.01757	3.2
69.03325	0.3
70.07243	1.5
71.01253	5.4
72.99180	1.1
73.02797	0.8
74.03802	0.4
75.00748	4.5
78.95795	0.4
83.01245	0.9
85.02822	2.9
85.55289	0.3
87.00751	8.6
88.98711	0.3
89.02311	3.8
91.03883	0.4
99.00796	0.8
101.02319	5.0
109.02803	0.4
111.00761	100.0
111.08035	0.5
112.01084	2.6
112.98661	0.8
113.02332	2.1
119.03395	1.5
129.01865	0.5
137.02275	0.3
139.50970	0.3
139.54826	0.3
154.99681	0.4
161.04454	1.8
165.05502	0.3
171.10211	1.1
173.00829	11.4
173.04463	0.5
174.01147	0.5
179.05496	0.8
179.14238	0.6
186.17351	0.4
195.13840	7.2
196.14395	0.4
204.72176	0.4
205.12282	0.8
205.15941	0.4
209.11693	0.5
211.13310	1.4
213.11302	0.4
223.13315	4.0
228.13644	0.5
231.21161	0.4
234.19720	0.4
235.08241	0.7
253.09259	33.8
254.09645	1.4
255.23305	0.5
256.13171	1.1
272.03149	0.4
275.20166	4.7
283.02454	0.7
291.19666	1.6
293.21216	81.0
294.21585	6.8
309.20825	1.8
378.45145	0.4
407.04153	0.4
492.21884	1.0
529.29791	1.9
545.29156	0.6
719.31244	2.6
719.43243	0.4
719.77911	0.7
720.28412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34600	9.4
70.89812	17.3
70.90150	16.8
71.01244	11.8
91.13509	9.6
113.34354	8.5
117.85921	8.7
124.27896	9.8
158.26151	9.1
202.95209	8.1
341.11020	25.1
377.08444	100.0
434.83002	9.4
521.65796	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	719.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03319	2.8
59.01251	6.5
61.98702	13.0
62.36520	0.3
67.01757	3.2
69.03325	0.3
70.07243	1.5
71.01253	5.4
72.99180	1.1
73.02797	0.8
74.03802	0.4
75.00748	4.5
78.95795	0.4
83.01245	0.9
85.02822	2.9
85.55289	0.3
87.00751	8.6
88.98711	0.3
89.02311	3.8
91.03883	0.4
99.00796	0.8
101.02319	5.0
109.02803	0.4
111.00761	100.0
111.08035	0.5
112.01084	2.6
112.98661	0.8
113.02332	2.1
119.03395	1.5
129.01865	0.5
137.02275	0.3
139.50970	0.3
139.54826	0.3
154.99681	0.4
161.04454	1.8
165.05502	0.3
171.10211	1.1
173.00829	11.4
173.04463	0.5
174.01147	0.5
179.05496	0.8
179.14238	0.6
186.17351	0.4
195.13840	7.2
196.14395	0.4
204.72176	0.4
205.12282	0.8
205.15941	0.4
209.11693	0.5
211.13310	1.4
213.11302	0.4
223.13315	4.0
228.13644	0.5
231.21161	0.4
234.19720	0.4
235.08241	0.7
253.09259	33.8
254.09645	1.4
255.23305	0.5
256.13171	1.1
272.03149	0.4
275.20166	4.7
283.02454	0.7
291.19666	1.6
293.21216	81.0
294.21585	6.8
309.20825	1.8
378.45145	0.4
407.04153	0.4
492.21884	1.0
529.29791	1.9
545.29156	0.6
719.31244	2.6
719.43243	0.4
719.77911	0.7
720.28412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28980	64.5
62.69904	68.2
71.51337	100.0
77.58018	61.8
102.00505	61.0
119.65498	63.6
127.37039	64.0
127.51693	62.7
151.87131	65.9
184.91980	63.9
221.75700	61.5
239.12538	73.7
246.17163	70.4
255.23291	94.0
289.70270	64.4
291.27393	68.1
305.44965	76.3
319.19434	67.5
428.82925	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.98703	100.0
62.98404	0.2
71.01271	0.3
71.51887	0.1
83.08768	0.1
89.02325	0.1
96.46308	0.1
101.02317	0.2
111.52408	0.1
113.02312	0.1
120.75347	0.1
226.10640	0.1
255.23383	0.2
256.23676	0.2
257.23911	0.1
397.13635	0.2
398.13995	0.2
399.14029	0.4
400.14258	0.2
418.15826	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	716.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48070	0.1
59.01241	0.5
61.98702	100.0
62.98400	0.2
66.25097	0.1
70.53508	0.2
71.01262	0.3
72.01563	0.1
72.99227	0.1
89.02327	0.2
90.02609	0.1
98.20479	0.1
101.02316	0.2
107.66284	0.1
119.03408	0.1
119.26701	0.1
144.72711	0.1
161.04543	0.1
196.34497	0.1
228.96149	0.1
236.74396	0.1
237.33009	0.1
255.23331	0.3
256.23560	0.4
257.23853	0.2
258.24030	0.1
358.30063	0.1
367.86206	0.1
397.13647	0.2
398.13858	0.4
399.14032	0.4
400.14426	0.2
417.15195	0.1
418.15454	0.1
420.37564	0.1
524.58459	0.1
717.24115	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	715.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56985	0.8
57.03331	5.6
58.00466	0.8
59.01257	6.8
61.98712	3.8
66.11179	0.8
66.56529	0.7
69.03297	1.4
71.01251	5.4
72.99191	1.2
73.02782	0.8
78.95773	1.3
79.25303	0.9
83.01252	0.9
83.04882	1.0
84.80444	0.7
85.02814	1.1
87.00730	1.6
89.02318	3.7
95.01285	1.0
95.04885	1.9
97.02818	1.2
97.06467	17.6
101.02348	5.4
113.02300	2.6
119.03382	1.0
123.08068	10.0
125.02366	1.2
125.09613	100.0
126.09930	3.8
143.10641	1.3
145.04958	0.8
161.04448	1.8
163.11089	1.0
165.12737	3.2
169.08577	2.2
171.10187	7.1
181.12213	1.5
183.13834	0.8
185.11649	1.5
187.09680	63.7
188.10042	3.9
197.11804	1.8
207.10117	1.2
209.11737	2.1
211.09642	0.9
211.13307	3.8
223.13368	1.7
225.11314	1.8
235.08206	2.3
247.20604	1.8
253.09175	6.0
256.74503	1.0
259.02383	1.4
271.02426	2.3
272.03094	2.1
273.04019	1.0
287.01938	1.4
291.19656	21.8
292.20087	2.1
301.03528	7.6
302.03839	1.7
307.19046	2.1
309.20706	16.0
310.20932	2.2
313.15842	0.8
325.20123	1.2
329.47751	1.1
331.04520	3.6
405.17758	5.2
418.81985	0.9
423.18729	15.9
424.18927	1.1
600.41479	0.8
634.18335	0.9
697.38031	1.2
715.39117	95.3
716.27850	1.4
716.39447	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	715.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79163	0.7
51.10379	0.6
54.93837	0.8
57.03325	5.0
58.60062	0.6
59.01250	5.9
61.98685	1.9
69.03326	1.1
69.07079	0.6
71.01257	5.6
71.04926	0.7
72.99182	0.7
73.02810	1.5
80.02570	0.8
83.04892	1.4
85.02795	1.2
87.00742	2.3
89.02327	3.7
95.04881	2.1
97.02812	2.6
97.06470	16.1
101.02310	5.3
110.63326	0.6
111.08039	2.5
111.88959	0.6
113.02313	3.2
119.03416	0.8
123.08059	7.6
125.09613	86.0
126.09936	3.4
127.49132	0.7
132.21126	0.7
132.24294	0.7
134.03653	4.9
136.74806	0.6
145.02884	1.0
145.04933	1.3
160.01608	1.0
161.04434	2.2
165.12718	1.5
169.08606	2.0
169.12286	1.1
171.10185	9.6
172.10614	0.8
174.44447	0.8
178.02640	1.0
185.11755	1.5
187.09689	46.3
188.09999	2.0
193.04980	3.5
197.11748	9.3
209.11783	1.6
211.13345	2.6
227.12787	1.1
235.08206	2.0
247.20622	1.1
253.09265	4.0
258.01651	1.5
259.02374	2.7
261.13400	0.8
271.02487	2.0
272.03177	2.0
273.04016	1.3
287.01956	0.9
291.19687	8.1
297.03851	0.9
301.03516	7.9
302.04050	0.9
307.19183	1.0
309.20663	9.9
310.20941	1.2
325.20239	0.9
327.21558	0.8
331.04474	4.1
357.13660	1.0
397.12857	1.1
405.17572	6.2
423.18716	7.7
424.19543	0.9
503.17157	2.7
504.16830	1.0
521.18378	1.2
555.12543	0.7
595.25275	3.0
625.26459	1.5
697.38776	1.1
715.30304	5.2
715.39252	100.0
716.28027	1.7
716.39575	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	715.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97549	0.6
57.03328	3.6
59.01251	6.8
61.98700	1.4
69.03316	1.0
69.65098	4.3
71.01251	5.4
73.02830	0.7
83.04873	1.3
85.02833	1.3
87.00729	1.1
89.02316	4.6
92.62286	0.6
95.04899	1.2
97.06461	13.0
101.02332	4.5
113.02341	1.9
119.03374	1.1
123.08040	5.2
125.09612	100.0
126.09926	4.2
143.10701	2.0
153.64908	0.8
161.04462	1.0
165.12793	1.1
167.10674	0.9
169.06137	0.6
169.08626	2.8
171.10179	2.8
179.05548	0.9
180.05827	0.7
181.12373	0.7
185.11754	0.8
187.09673	74.0
188.10011	2.9
193.11995	0.7
199.13225	0.7
201.11296	0.8
209.11760	1.5
211.09688	0.8
211.13338	1.5
213.60051	0.6
224.37698	0.6
235.08182	1.3
247.20554	1.3
253.09343	3.6
261.13525	1.0
273.18741	0.9
291.19614	6.4
301.03513	0.9
309.20682	6.6
310.20920	0.9
325.19910	0.9
377.16275	0.7
398.53796	0.8
405.17679	4.9
423.12958	1.0
423.18741	21.0
424.19061	1.9
465.08237	0.7
545.29272	1.5
697.39618	0.9
715.39075	94.7
716.39459	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	713.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.6
61.98703	23.9
62.28144	3.7
62.92550	3.6
64.67393	4.4
70.80346	9.8
71.01258	21.3
78.95777	8.9
84.00260	4.1
89.02345	19.8
96.78361	3.7
101.02332	14.1
113.02348	4.8
119.03365	5.9
119.60654	3.9
125.02333	5.2
152.99510	6.6
171.10179	55.9
179.05440	9.5
185.11760	14.4
190.25027	3.9
197.15411	4.2
199.09705	9.1
199.16885	5.0
201.11166	8.1
205.35136	4.4
235.08284	8.5
239.05159	3.8
240.61052	4.3
253.09355	6.0
255.23128	5.3
266.86108	3.7
277.21732	5.4
279.23294	47.7
280.23581	4.7
281.24936	4.2
291.19653	12.7
301.20544	6.1
309.20645	8.8
323.22284	32.5
397.13477	100.0
398.13718	9.1
415.14612	23.3
485.69095	4.1
677.37402	10.0
713.34637	46.2
714.35516	8.0
734.85956	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	713.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
58.52918	0.9
59.01248	4.4
61.98699	5.7
63.96825	0.8
66.55106	0.9
69.13059	0.8
71.01243	3.5
71.51727	0.8
73.02824	1.1
78.95770	1.0
81.00749	0.9
83.01244	1.0
83.04874	1.4
89.02306	3.7
90.94185	0.8
97.06467	6.1
101.02309	3.3
103.86118	0.9
109.02825	2.0
123.04394	1.1
123.08025	3.8
125.02322	2.1
125.09610	41.8
126.09927	1.3
139.11198	0.8
169.08459	1.2
171.10199	7.0
179.05399	0.9
185.11758	28.2
186.12212	1.4
187.09679	29.6
188.04724	1.6
197.11757	3.3
201.11314	4.7
209.11755	5.5
211.13329	1.3
215.03313	1.4
227.03381	1.6
227.12773	1.5
229.01363	2.4
229.04823	1.0
230.02032	1.0
231.02823	1.3
235.08173	2.1
243.03046	4.3
244.03723	5.9
253.09282	6.0
258.01651	14.6
259.02441	27.0
260.02985	1.6
271.02454	23.7
272.03247	35.7
273.03894	7.5
283.02518	1.5
285.00363	17.4
285.03970	4.0
286.00766	1.3
287.01981	75.1
287.05322	3.2
288.02402	4.4
289.18045	2.2
291.19659	6.4
293.21225	3.8
298.01035	1.9
299.01956	2.9
300.02692	5.9
301.03519	61.2
302.03864	4.7
304.02295	2.5
307.19116	1.6
309.20700	11.8
313.03476	2.4
315.05154	1.5
323.22208	2.5
330.03787	3.0
331.04596	36.7
332.04810	3.4
343.04385	1.4
403.06552	3.2
405.17615	5.7
406.18210	1.1
420.06985	38.6
421.07730	100.0
422.08035	9.2
423.18533	7.0
478.19693	1.1
593.23883	3.1
615.29956	2.0
623.24683	3.4
713.27588	6.0
713.38202	24.6
714.27325	1.7
714.37714	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	713.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	1.5
61.98686	3.8
62.09813	0.9
71.01246	1.7
75.00754	1.7
78.95769	4.3
79.98463	1.1
108.02036	1.6
109.02815	2.9
121.02802	2.3
123.04395	1.5
125.02306	1.2
137.02408	1.2
151.00246	6.1
152.99463	2.2
165.01845	1.8
167.03389	2.5
171.10188	1.7
188.04729	1.1
190.14662	1.0
215.03326	1.1
216.03952	1.0
221.80464	1.0
228.04280	1.3
229.05057	1.9
231.23267	1.0
241.04967	1.8
243.02901	1.7
246.91237	1.0
256.03726	7.4
257.04382	3.4
258.01712	4.3
258.05255	1.6
259.02393	4.4
269.04605	2.4
271.02509	13.4
272.03253	31.4
273.03943	9.5
281.24872	2.2
283.02634	4.9
284.03201	8.0
285.04037	85.6
286.04794	60.2
287.01883	4.4
287.05209	5.2
291.19791	1.6
295.05963	1.4
296.02960	1.4
297.04092	9.3
298.01431	2.6
298.04773	3.1
299.02106	2.6
299.05606	3.0
300.02713	2.4
300.06082	1.4
301.03482	3.6
304.02295	3.1
309.20679	1.6
311.05450	2.2
312.02673	4.3
313.03516	35.0
314.04004	3.3
315.04959	2.9
316.02170	5.8
318.03806	8.2
325.03510	5.1
325.06955	1.3
327.05066	1.7
328.05789	1.4
331.04453	1.3
339.05212	2.0
341.02985	3.1
343.04602	23.9
344.05078	4.2
347.05002	1.1
349.07089	1.4
349.79785	1.2
353.06564	2.6
355.04639	2.9
367.08347	2.5
371.03854	3.8
376.04269	1.6
381.09796	2.3
381.21030	1.1
420.07089	1.2
425.08978	2.0
433.07806	1.9
439.13922	1.7
483.16486	3.7
495.16489	8.4
496.17111	5.4
509.18362	1.7
511.16132	1.4
523.16223	4.0
524.16669	2.7
525.17542	1.9
528.38770	1.2
537.17834	2.9
551.22797	1.5
554.17999	2.1
593.23956	61.7
594.24451	10.9
623.24988	47.4
624.24896	7.4
628.52698	1.1
652.76379	4.0
653.26068	3.1
667.76434	3.2
695.27148	16.5
696.27008	3.1
703.78345	1.3
712.78076	3.7
713.28119	100.0
714.28345	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	711.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.4
59.01254	26.9
61.98687	2.0
62.12817	1.1
69.03309	1.4
70.26631	3.9
71.00900	1.8
71.01257	21.1
72.99158	2.2
73.02823	4.6
81.03302	1.2
83.01255	2.7
85.02840	4.9
87.00764	5.8
89.02316	22.3
95.01255	2.0
97.02804	3.8
99.00784	1.1
101.02330	19.6
113.02344	8.4
119.03359	6.3
125.02340	7.8
133.02832	3.8
134.03625	17.4
135.04375	2.2
137.02335	1.2
143.03381	4.3
149.04485	1.1
149.05971	3.7
160.01550	2.4
161.02295	2.8
161.04420	4.3
175.03902	3.2
176.24747	1.0
178.02623	7.0
179.03441	2.5
179.05516	3.6
193.04994	23.6
194.05252	1.8
201.11307	1.1
221.06573	1.2
235.08177	10.1
253.09387	1.6
253.21715	51.7
254.22058	4.3
266.48926	1.0
277.18924	1.9
277.21741	19.4
278.22125	2.0
287.07648	2.8
291.19565	1.3
305.08884	3.1
397.13480	100.0
398.14069	7.2
415.09009	1.7
415.14539	28.3
416.14655	1.9
442.62091	1.3
487.14059	1.9
502.15985	1.7
517.18597	25.7
518.18695	4.8
651.36224	1.6
675.35516	2.9
711.33295	13.6
712.33710	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.7
59.01251	7.7
61.98705	0.7
68.49358	0.6
70.08395	2.8
71.01256	4.5
73.02808	1.4
77.46931	0.6
78.95786	1.5
80.96387	1.1
83.01277	1.3
83.04899	1.0
85.02837	1.9
87.00758	1.1
89.02309	5.4
93.38515	0.6
97.02780	0.6
97.06441	3.4
101.02336	5.7
110.96854	0.6
113.02341	2.7
119.03393	0.8
123.31387	0.5
133.21207	0.6
151.11189	13.8
152.11594	0.8
152.99527	1.5
161.04442	1.3
169.12257	99.7
170.12630	5.4
171.10268	0.9
179.21759	0.6
195.10223	2.3
213.11258	12.6
214.11554	1.1
235.08150	0.9
244.10391	0.6
253.09354	3.4
255.23283	0.7
277.21722	28.4
278.22098	2.5
279.23209	3.9
431.19012	3.1
449.20236	10.4
709.41650	100.0
710.41925	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	709.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
57.03307	0.7
58.00458	1.1
59.01250	14.1
61.98698	1.3
69.03338	0.7
70.64161	0.4
70.64496	0.7
71.01254	11.8
72.99180	0.9
73.02811	1.7
73.95693	0.3
75.00758	0.4
78.95776	0.6
83.01249	1.6
85.02807	2.7
87.00742	2.2
89.02316	11.7
91.51972	0.4
95.01253	0.5
97.02833	1.4
99.00768	0.7
99.08023	0.4
101.02321	9.1
109.02793	0.4
113.02339	3.7
113.09592	0.6
115.07557	0.6
119.03384	3.4
121.02836	0.5
125.02345	3.3
125.09640	0.5
129.09077	0.6
131.03383	0.4
139.11201	0.4
141.01846	0.4
143.03398	1.6
161.04475	2.3
161.88141	0.4
167.14383	2.2
169.12221	0.3
171.10237	0.6
179.05539	2.6
181.12340	0.4
183.13850	1.2
195.13841	7.5
196.14215	0.3
197.11783	1.1
199.13286	0.5
209.11916	0.4
211.13368	2.4
213.14883	0.7
221.06641	1.0
235.08217	2.9
236.08542	0.5
241.14442	0.6
242.15158	0.9
249.22171	0.8
253.09247	0.8
263.07709	0.6
266.86203	0.4
267.23181	0.5
275.20239	0.5
287.07727	0.7
291.19568	0.5
293.21222	14.3
294.21561	1.3
305.08694	0.6
309.20673	1.4
310.20892	1.1
311.22263	100.0
312.22617	11.3
318.02353	0.4
341.65820	0.4
379.12341	0.5
397.13495	18.5
398.13800	1.6
399.13730	0.4
415.14584	17.1
416.14789	1.5
568.46472	0.4
709.25964	0.4
709.36560	4.6
710.37012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70082	0.4
55.01757	0.9
57.03315	1.0
58.00471	1.3
58.25287	0.3
59.01251	17.5
61.98697	1.4
69.03321	1.2
71.01255	13.1
71.38926	0.6
72.99174	1.1
73.02813	1.6
75.00740	0.5
79.08816	0.3
81.03336	0.7
83.01257	1.0
83.04903	0.5
85.02821	3.1
87.00747	2.5
89.02319	13.4
95.01253	1.0
97.02840	2.3
97.06461	0.6
99.00751	0.4
99.08027	1.6
101.02326	10.2
109.02877	0.4
111.00812	0.6
113.02320	4.8
113.09602	1.9
119.03394	3.5
121.10134	0.6
125.02329	3.6
125.09568	1.1
127.07539	0.4
129.09152	2.3
131.03401	0.8
139.11177	1.4
143.03436	2.1
153.12732	0.5
161.04474	2.2
163.03900	0.5
163.11171	0.4
165.12662	0.9
167.03407	0.4
167.10635	0.4
169.12230	1.0
171.10211	4.8
175.92319	0.4
179.05557	3.1
181.12241	2.0
183.13792	1.1
185.11664	0.5
193.12296	2.4
195.13757	0.5
197.11740	4.0
199.13391	2.5
209.11832	0.7
211.13333	9.5
212.13666	0.5
221.06612	1.0
235.08157	3.0
241.44247	0.3
241.54141	0.4
249.22244	0.7
253.09154	0.9
263.07727	0.5
265.97073	0.3
275.20074	0.5
287.07736	0.9
291.19565	0.6
293.21234	11.6
294.21558	1.1
305.08768	0.7
311.22272	100.0
312.22638	9.7
323.09744	0.6
371.50391	0.4
397.13507	24.0
398.13834	2.5
415.14566	25.5
416.14935	2.0
709.36523	1.5
710.35547	0.5
716.05750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29810	0.6
53.64508	0.6
57.03317	1.0
58.00465	1.3
59.01254	14.8
61.98703	13.9
69.03313	0.7
71.01260	11.6
72.99191	1.8
73.02830	1.1
78.95767	1.8
83.01270	1.1
85.02826	1.8
87.00766	3.1
88.15945	0.6
88.98660	0.9
89.02316	12.7
90.34924	0.6
94.03699	0.6
94.07427	0.6
95.01254	0.7
96.95879	0.9
97.02848	1.3
99.00743	0.8
101.02324	10.2
111.43125	0.7
113.02340	4.4
115.07509	0.9
119.03391	3.1
125.02336	3.2
131.03409	0.7
143.03424	2.0
145.32024	0.7
148.65941	0.6
161.04466	1.6
167.14282	3.2
179.05547	3.4
183.13770	1.6
195.13861	8.2
209.11748	1.3
211.13377	1.6
211.90726	0.6
213.14861	0.8
218.22131	0.6
221.06575	0.8
235.08173	3.7
249.22253	0.8
253.09424	1.4
265.21887	0.9
272.03110	0.8
279.23087	1.6
293.21265	6.8
294.21564	0.8
307.19272	1.0
309.20755	1.2
311.22281	100.0
312.22675	10.6
346.72177	0.6
397.13431	20.6
398.13849	2.2
415.14587	18.2
416.14929	1.2
709.37231	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	709.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
59.01218	0.9
62.99685	0.6
70.53382	2.0
71.01257	1.0
72.00437	0.6
85.46089	0.7
87.00763	1.2
90.27452	0.7
107.01265	0.8
109.02836	3.3
115.00298	1.2
115.47087	0.6
121.33174	0.7
125.02340	17.6
136.74944	0.6
151.00301	1.2
151.03773	0.7
161.02306	4.3
175.02420	2.2
186.20093	0.8
191.03450	0.9
199.03918	1.1
211.03954	1.5
213.05473	1.7
215.03392	1.6
225.05424	0.7
227.03545	1.7
229.05029	2.8
230.02126	0.8
241.05005	1.1
243.03061	6.7
244.03653	1.1
245.65770	0.8
255.02994	4.4
256.03677	1.6
257.04587	3.2
258.01666	9.9
259.02444	21.0
267.02991	1.5
268.38217	0.7
269.04535	5.4
270.04614	0.9
271.02478	20.2
272.03195	17.3
273.04007	18.7
274.04419	1.0
283.02487	3.0
284.03174	1.4
285.04022	17.6
286.04660	2.0
287.02011	2.4
287.05685	3.5
297.04123	6.2
298.01212	2.3
299.01932	2.1
301.03528	75.7
302.03854	6.0
304.02081	3.2
309.04016	1.9
311.01904	1.8
311.05435	1.0
312.02634	0.8
313.03564	10.0
314.03946	1.0
315.05093	8.5
322.04810	2.1
323.01950	0.8
327.05096	2.2
331.04581	53.6
332.04999	3.5
339.05200	1.6
341.02859	1.5
343.04642	4.4
351.04996	3.8
352.05499	0.8
355.04434	1.1
361.05652	1.0
373.05374	1.5
381.06058	1.7
385.05627	1.5
390.03735	0.9
391.04474	0.9
393.06244	4.0
403.06769	9.4
404.06848	0.9
419.03839	0.7
421.07761	100.0
422.02490	1.2
422.08038	9.0
423.07230	1.5
433.07629	1.5
437.05176	10.3
438.05219	1.5
449.05170	2.7
463.06744	2.0
467.06247	4.1
468.06885	1.3
491.17453	0.7
493.08002	1.6
508.71558	1.0
539.08350	9.3
540.08862	1.4
541.09351	1.0
557.09344	29.4
558.09650	3.9
583.11017	1.6
589.10114	4.9
619.11292	1.1
638.67798	0.8
691.12695	2.4
709.14087	20.4
710.14856	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07700	0.4
53.98399	0.4
55.01758	0.9
57.03313	1.2
58.00452	1.2
59.01250	18.2
65.29702	0.4
65.69016	0.4
66.92714	0.4
69.03326	1.7
70.61484	1.3
70.61834	0.6
71.01254	13.7
72.99181	1.2
73.02814	2.0
75.00705	0.5
81.03329	0.8
83.01251	1.4
83.01954	0.4
83.04919	0.6
84.34574	0.4
85.02838	2.7
85.06451	0.6
87.00753	2.7
89.02319	12.0
95.01273	0.8
97.02831	5.1
97.06475	0.6
98.23666	0.5
99.00767	0.7
101.02330	10.2
101.02992	0.6
109.06477	1.2
111.08041	6.2
113.02330	4.6
119.03413	3.1
123.04440	0.5
125.02329	3.0
127.07505	0.5
137.09641	1.0
143.03401	1.9
153.12733	0.9
161.04462	2.3
167.10738	0.6
169.12280	3.0
171.10213	2.4
179.05553	3.7
179.10706	0.6
181.12186	1.5
183.13844	1.0
193.12262	0.7
195.13869	2.3
197.11768	26.7
198.12128	2.3
199.13290	1.5
209.11711	0.6
211.13348	5.5
221.06708	0.9
221.15416	1.2
223.13283	0.7
227.12886	0.8
229.19798	0.5
235.08200	3.2
247.20749	0.6
253.09242	1.0
263.07825	0.6
263.20148	2.0
265.18149	0.5
273.18637	1.3
291.19656	14.8
292.19992	1.7
305.08563	0.7
309.20700	100.0
310.21048	9.8
313.47290	0.5
336.52194	0.5
397.13458	14.5
398.13913	1.3
415.14578	30.2
416.14713	3.0
425.18381	0.5
689.34460	0.6
707.25342	0.7
707.36078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76296	0.4
55.01746	0.4
57.03313	0.9
58.00463	1.1
59.01253	19.5
66.33549	0.4
69.03325	0.7
71.01253	14.3
71.38857	0.6
72.99172	1.1
73.02820	2.1
80.38474	0.4
81.03330	0.7
81.64104	0.4
83.01242	1.4
83.04903	0.7
85.02819	3.1
87.00756	2.5
89.02319	14.0
95.01252	1.1
95.04880	0.5
97.02856	2.8
97.06461	1.5
99.00742	0.8
101.01700	0.8
101.02325	10.5
101.02990	0.7
105.66789	0.4
111.08044	0.8
113.02334	4.1
113.09587	1.6
115.07498	1.3
117.51842	0.5
119.03398	3.9
123.00702	0.4
125.02332	3.7
125.05947	0.5
131.03351	0.9
139.03918	0.7
139.11127	0.8
141.01865	1.0
141.09116	0.9
143.03369	1.6
161.04449	2.2
165.12737	2.3
167.10628	0.5
167.14304	1.8
179.05540	3.0
179.14389	0.4
181.12277	2.3
183.13831	0.9
193.12291	1.1
193.15820	0.5
195.13835	1.6
211.13359	2.5
221.06621	0.8
221.15410	1.5
229.14365	0.7
235.08194	3.0
240.13649	0.7
241.14388	0.6
247.20729	3.5
248.20943	0.5
253.09174	0.8
263.07834	0.5
263.20181	0.5
265.21588	0.4
273.18689	2.0
281.21085	1.4
287.07703	0.6
291.19656	29.6
292.19919	2.2
305.08829	0.8
309.20706	100.0
310.21054	8.9
311.22278	0.7
371.26779	0.5
397.13492	20.6
398.13605	1.0
415.14557	17.6
416.15057	1.8
707.35046	14.3
708.35327	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03308	0.7
58.00468	1.3
59.01252	20.1
69.03307	0.7
69.26946	5.8
69.27289	0.7
71.01253	13.4
72.99177	1.4
73.02808	2.3
81.03307	0.6
83.01250	1.4
85.02815	2.9
87.00746	2.6
89.02319	12.8
95.01240	1.1
97.02833	2.3
99.00724	0.9
101.02320	10.8
109.06445	0.6
110.07672	0.6
111.08023	2.0
113.02332	4.5
113.09630	1.0
116.10049	0.6
119.03413	4.0
125.02332	2.9
131.03375	0.9
131.63936	0.7
137.35530	0.6
141.01862	0.6
143.03386	2.0
151.11258	0.9
161.04456	2.9
165.12753	2.0
167.14305	1.2
179.05533	3.7
181.12257	1.4
193.12224	1.0
195.13837	1.3
197.11746	8.6
199.13303	0.8
202.58017	0.6
211.13344	3.6
221.06590	1.2
221.15405	1.2
235.08205	2.8
240.13715	0.8
247.20584	2.8
253.09267	0.7
273.18524	1.5
281.21182	1.1
291.19666	25.3
292.19864	2.8
303.96640	0.8
309.20706	100.0
310.21054	9.2
361.32401	0.7
397.13483	22.0
398.13870	1.4
415.14532	21.9
416.14935	1.5
707.34912	12.7
708.35571	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70585	0.4
55.01749	1.0
57.03308	1.5
58.00451	1.8
59.01251	28.3
69.03336	2.2
69.62293	0.4
71.01256	21.7
71.04876	0.5
72.99163	1.4
73.02821	3.6
81.03319	1.1
83.01247	2.0
83.04910	0.7
84.54230	0.5
85.02824	5.2
87.00753	4.8
89.02319	20.1
95.01255	1.3
95.04887	0.6
97.02832	9.0
97.06463	1.1
99.00741	1.0
101.02322	16.0
111.08019	2.9
113.02332	7.8
119.03385	4.7
119.08603	0.8
121.10223	0.5
123.04361	0.5
123.08035	0.4
125.02340	5.4
125.09586	1.2
127.11190	0.5
131.03426	0.7
133.04912	0.6
137.09647	2.1
143.03412	3.2
149.04436	1.0
151.11272	0.4
153.12743	0.6
161.03265	0.6
161.04472	3.6
163.11241	2.5
165.12773	5.1
166.13052	0.6
169.12213	1.1
171.10165	5.3
179.05521	4.9
179.14345	1.2
181.12256	1.8
183.13875	0.8
185.04428	0.5
185.11737	0.8
193.12271	1.1
193.15924	1.0
197.11768	11.2
199.13313	0.4
207.10194	0.5
209.11768	2.6
211.13351	2.6
221.06610	1.3
223.13376	1.2
227.12851	2.6
235.08214	6.0
247.20721	4.3
253.09265	1.8
263.07678	0.8
263.20242	0.6
273.18698	1.5
287.07639	1.1
291.19659	43.3
292.20013	5.3
305.08691	1.4
309.20700	100.0
310.21066	8.0
323.09918	0.9
333.20776	0.5
397.13483	32.7
398.13660	3.0
415.14557	32.2
416.14813	2.8
707.35156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49488	0.8
57.03316	1.0
58.00457	1.9
59.01252	23.6
61.35852	0.9
61.98706	5.5
62.29232	1.0
68.99741	1.0
69.42312	3.4
69.42738	3.9
71.01259	16.5
72.99191	1.4
73.02815	1.5
78.95753	1.3
80.67973	1.0
80.96382	1.2
81.03325	1.6
83.01266	2.6
85.02833	4.4
87.00751	3.9
89.02325	16.9
95.01224	1.1
96.67104	1.0
97.02836	2.1
98.80595	1.0
99.00731	1.5
101.02319	11.7
101.94665	0.8
109.02812	1.1
109.06436	0.9
111.08058	1.3
112.19322	1.2
113.02319	5.3
119.03384	5.6
125.02327	3.3
127.11160	1.0
129.09167	1.1
141.01883	1.3
143.03412	2.7
153.12726	3.1
161.04474	3.2
165.12758	1.5
167.10677	1.0
171.10225	1.4
179.05537	3.5
181.12233	2.7
183.13882	1.9
195.13895	1.1
197.11874	4.5
199.13353	1.6
207.10310	1.2
209.11769	2.0
211.13322	2.3
221.06604	1.7
225.11304	1.1
227.12724	1.9
235.08127	3.8
236.38510	1.0
247.20651	3.8
253.09189	1.6
273.18652	1.8
289.65070	0.9
291.19672	27.1
292.19897	2.3
309.20721	100.0
310.21066	8.7
382.36179	1.0
397.13516	22.5
398.13846	2.1
415.14624	20.3
689.33936	1.5
706.98438	1.1
707.35284	16.8
708.35095	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	707.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60102	0.3
54.30392	0.3
59.01227	0.5
59.15759	0.3
61.98690	0.3
71.47358	0.3
88.07033	0.4
98.20516	1.1
109.02835	0.5
112.40543	0.3
167.04926	0.4
171.04434	0.4
171.82803	0.3
175.00249	0.5
183.04468	2.2
185.02374	0.6
187.04016	0.5
199.03874	0.9
209.02415	0.4
211.03944	3.4
215.03320	0.5
219.13629	0.4
227.03468	6.2
229.05064	0.3
237.01794	0.4
238.02597	1.2
239.03421	1.4
243.03105	0.7
254.02126	1.1
255.02975	10.0
256.03354	0.9
258.01727	2.0
259.02402	2.4
266.02097	0.8
267.02927	1.5
268.03683	0.7
271.02451	2.6
272.03226	4.2
273.03735	0.5
281.04523	1.0
282.01620	0.8
283.02472	100.0
284.02811	9.4
285.04025	2.3
296.03323	0.9
297.03964	1.8
298.01086	1.2
299.02112	0.4
301.03485	1.4
311.01892	0.9
313.03613	1.4
325.03510	7.0
326.03812	0.6
331.04553	1.1
355.04654	1.1
385.05789	0.4
403.06680	11.6
404.06946	1.3
559.25409	3.3
587.24939	8.7
588.25287	1.3
599.25305	1.0
617.25989	1.0
689.28003	0.5
707.29248	51.3
708.29510	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	705.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.7
57.03329	3.3
57.98986	0.5
58.00449	2.4
59.01253	46.0
60.01545	0.8
61.44882	0.5
61.98703	4.7
67.01747	0.6
68.99680	0.8
69.03327	3.3
70.28204	1.2
70.28520	0.6
71.01255	40.5
72.99177	4.5
73.02822	5.4
75.00735	1.6
78.95773	1.1
80.02520	1.5
80.96410	0.7
81.03339	4.7
81.30053	0.5
83.00886	0.5
83.01260	6.0
83.04903	2.7
85.02830	8.4
87.00755	8.5
89.02318	39.5
93.03320	1.2
95.01273	3.0
95.04895	2.5
95.63109	0.5
97.02824	8.2
97.06461	5.6
99.00761	3.2
99.04391	0.8
101.02322	32.3
106.04078	1.2
109.02838	0.7
109.06469	1.2
111.00764	0.8
111.04363	1.5
111.08029	1.0
113.01536	0.8
113.02335	14.6
115.03874	1.0
119.02586	0.9
119.03391	11.7
119.08559	1.2
121.02827	2.2
121.06449	1.8
123.00775	0.5
123.04427	4.5
123.08015	2.2
125.02340	10.1
125.05946	0.8
125.08873	0.6
125.09621	8.4
126.02663	0.8
129.01823	0.7
131.03384	1.7
133.04926	1.1
135.07983	1.2
137.05992	1.2
137.09637	3.9
139.03857	0.9
141.01849	0.9
141.12723	1.7
142.02602	1.1
143.03421	6.2
149.02289	0.6
149.04411	0.7
149.06082	0.8
149.09566	1.0
161.04453	7.1
161.09601	0.9
163.07440	0.8
163.11206	10.0
165.09164	0.8
165.12752	2.2
167.03304	0.8
167.10660	1.1
169.12155	0.8
171.10173	2.2
174.16147	0.6
177.12794	1.2
179.05550	8.6
179.10712	1.0
181.12323	2.6
183.13789	4.2
185.04427	0.9
185.11766	8.6
187.09752	0.6
189.12837	0.6
191.10741	1.3
191.14346	10.6
192.14668	0.6
193.12247	1.3
197.11815	1.5
197.95795	0.6
199.06087	0.9
199.13316	2.5
207.10211	7.2
209.11789	32.5
210.12111	2.5
211.13322	8.2
212.13776	0.7
217.07156	0.7
217.15930	0.8
221.06723	2.8
221.57722	0.6
223.13300	0.6
225.11278	6.1
227.12892	2.5
227.17961	0.7
235.08188	9.2
237.11322	8.2
240.00349	0.6
243.12361	0.7
245.06610	0.8
245.19089	19.3
246.19443	1.0
253.09244	4.1
261.18628	0.7
263.07706	2.1
263.20175	5.2
271.16977	2.4
277.09134	0.9
281.21274	3.0
287.07797	2.3
289.18100	83.7
290.18445	7.7
305.08807	1.7
307.19156	100.0
308.19507	10.9
309.20605	1.0
323.09836	1.5
325.20120	1.6
331.19168	0.6
353.13721	0.6
379.12369	1.6
397.13495	44.5
398.13943	3.6
415.14566	40.3
416.15082	3.7
461.20081	0.6
607.26263	2.2
636.24750	0.7
652.06244	0.6
655.33801	0.6
673.34442	6.1
674.34180	1.1
687.32312	1.0
705.33301	10.1
706.34082	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	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
57.03322	1.9
58.00469	1.2
59.01253	21.2
61.98704	3.3
69.03335	1.3
69.99414	1.6
69.99834	0.9
71.01253	18.3
71.04882	1.7
72.01584	0.6
72.75887	0.4
72.99180	2.0
73.02822	2.6
75.00756	0.7
80.02531	0.7
81.03314	2.5
83.01277	1.6
83.04895	1.2
85.02822	4.1
87.00764	3.5
89.02316	18.5
93.03330	0.8
95.01260	1.5
95.04896	1.1
96.95892	0.4
97.02820	3.6
97.06461	0.9
98.03606	0.7
99.00751	2.2
101.02323	15.8
106.04123	0.7
107.04923	0.5
108.02061	0.5
109.06483	6.1
111.04401	2.1
111.08022	1.0
113.02331	5.6
119.03392	6.9
121.02855	0.6
121.06472	0.7
123.04370	1.3
123.08043	1.2
125.02330	5.0
125.09615	2.1
127.07514	0.8
131.03397	1.1
135.31729	0.4
137.09621	1.7
141.12750	0.6
142.02644	0.5
143.03415	2.7
143.10663	0.9
145.06505	0.9
149.04463	0.9
149.05859	0.4
156.79608	0.4
161.04433	3.1
161.09680	0.8
163.11185	4.5
167.10680	1.3
167.27713	0.5
171.10196	3.0
179.05560	3.6
179.10715	0.8
181.12265	1.5
185.04416	0.6
185.11732	3.1
191.14355	4.4
195.13750	1.0
197.11748	1.1
199.13278	1.8
207.10208	2.6
209.11743	2.5
217.15817	0.9
221.06590	1.1
225.11238	4.1
227.12825	0.9
235.08208	5.3
243.12303	0.5
245.19067	11.4
246.19424	0.7
253.09297	2.1
263.07715	1.0
271.17044	2.4
273.14990	0.7
276.72766	0.5
277.09198	0.6
283.02567	1.5
287.07852	0.5
287.16589	1.2
289.18094	100.0
290.18414	9.4
305.08829	1.1
307.19135	28.6
308.19565	2.7
323.09763	0.6
379.12216	0.5
397.13489	35.1
398.13641	2.5
415.14548	25.7
416.14786	1.9
633.31232	1.2
687.32355	3.5
705.34259	0.9
713.05048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.7
57.03325	2.8
58.00459	2.5
59.01251	48.6
59.30836	0.4
60.01604	0.7
61.98718	0.9
67.01783	0.5
67.05399	0.5
68.99730	0.5
69.03324	3.4
70.77468	0.4
70.90205	1.3
71.01254	38.0
71.04940	0.5
72.01610	0.5
72.99174	2.4
73.02823	5.2
75.00759	0.9
76.98962	0.6
80.02556	1.0
81.03333	4.1
81.44069	0.4
83.01269	6.4
83.04897	2.0
84.02058	0.6
85.02827	8.7
86.03227	0.4
87.00751	8.0
89.02318	39.6
90.02663	0.5
91.03880	0.6
93.03333	0.5
95.01274	3.1
95.04935	1.8
97.02828	8.7
97.03400	0.6
97.06453	5.5
98.06785	0.6
99.00742	2.6
99.04417	0.9
101.02325	29.2
107.04964	0.6
109.02866	1.0
109.06478	1.5
111.00789	0.7
111.04419	1.7
111.08100	0.5
113.02333	13.3
115.03880	0.8
119.03392	11.7
119.04800	0.5
119.08529	0.9
121.02907	0.6
121.06492	2.0
123.04395	4.4
123.08060	1.8
125.02336	10.2
125.05997	0.5
125.09615	7.4
131.03410	1.5
135.08067	1.7
137.05998	0.7
137.09627	4.3
139.03922	1.1
141.01819	1.0
141.12788	1.2
142.02621	0.7
143.03386	5.1
149.04463	1.2
149.06003	1.4
151.11171	0.8
161.04480	6.6
161.09593	0.8
162.10478	0.7
163.07542	0.8
163.11209	9.6
164.08296	0.6
165.09155	0.5
165.12750	2.0
167.03532	0.6
167.10564	0.7
169.05028	0.6
171.02963	0.4
171.10231	0.9
173.09709	0.5
175.11284	0.8
175.14827	0.4
177.12769	1.3
179.05557	8.5
179.06950	0.3
179.10683	0.7
181.12282	2.2
183.13834	0.8
185.11758	8.2
186.12021	0.5
189.12842	0.4
191.10739	1.5
191.14363	10.0
192.14703	0.7
193.12294	1.4
199.06052	0.4
199.13362	0.9
207.10182	6.0
208.10803	0.6
209.11774	25.6
210.12096	1.9
211.13347	4.7
217.07170	0.9
217.15944	1.3
221.06598	2.3
225.11275	5.6
226.11746	0.6
227.12819	1.1
227.17888	0.8
235.08215	8.4
237.11276	8.5
238.11873	0.7
243.12350	0.6
243.17482	0.8
245.19075	19.1
246.19385	1.5
247.16872	0.5
253.09274	3.4
261.18707	0.5
263.07620	2.1
263.20139	4.5
271.17084	2.7
277.09354	0.6
281.21179	2.6
287.07654	1.4
287.16620	0.6
289.18097	82.3
290.18436	7.3
305.08789	1.7
307.19141	100.0
308.19473	10.1
323.09930	1.2
325.20206	1.5
333.14151	0.5
361.11719	0.5
397.13483	45.7
398.13724	3.4
415.14563	40.1
416.15143	3.0
504.34836	0.4
607.26251	2.0
625.39948	0.5
636.26434	0.4
673.34430	1.8
687.31598	0.7
705.33325	7.6
706.33368	1.7
730.59473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01131	0.3
54.15435	0.4
55.01749	0.6
57.03327	0.8
58.00459	1.0
59.01249	21.6
61.98711	0.6
69.03318	1.0
69.19179	3.3
71.01254	14.8
71.04888	3.0
72.99185	1.6
73.02813	2.1
80.02549	0.6
81.03324	2.1
83.01263	1.4
83.04900	1.1
84.01993	0.4
85.02831	2.5
87.00746	3.2
89.01754	0.8
89.02312	15.1
91.03924	0.4
93.03330	0.5
95.01295	1.0
95.04886	1.1
97.02831	3.0
98.03636	0.8
99.00746	1.3
101.02322	12.5
106.04130	0.8
107.04936	0.4
109.02865	0.3
109.05719	0.4
109.06471	9.0
110.06838	0.7
111.00697	0.5
111.04417	3.6
111.08044	1.4
112.05231	0.3
112.16520	0.3
113.01611	0.6
113.02332	6.0
117.14526	0.3
119.03391	5.0
121.02882	0.4
121.06464	0.4
123.04404	0.6
123.08041	1.0
125.02333	4.5
127.07512	1.4
131.03384	0.9
135.04359	0.6
135.08020	0.7
137.05968	0.6
137.09621	0.7
141.01788	0.4
143.03415	2.4
143.10664	1.1
145.06496	2.0
147.07997	0.4
149.04514	0.5
149.09631	0.7
151.11194	0.7
161.04462	2.8
163.11246	0.6
167.03278	0.4
167.10687	2.6
171.10162	0.9
179.05522	3.4
179.10689	0.9
181.12244	0.7
181.40585	0.3
183.04433	0.6
185.04303	0.4
191.14313	0.6
192.99504	0.3
195.13820	1.9
209.11887	0.5
211.03886	1.0
215.14384	0.5
217.06897	0.4
221.06566	1.1
221.19099	0.9
225.11314	0.4
227.03487	1.3
233.15399	0.3
235.08206	4.4
235.13286	0.7
236.08511	0.4
238.02594	0.6
239.03421	0.6
245.13847	0.6
245.19106	4.8
246.19495	0.4
249.15063	0.6
251.16403	0.7
253.09261	1.5
254.02156	0.4
255.03020	2.9
258.01712	0.5
259.02423	0.7
259.13522	0.5
263.07663	0.9
265.18076	0.8
267.03098	0.4
271.02460	0.7
271.17007	1.4
272.03177	0.6
273.14743	0.5
277.09131	0.4
283.02472	31.2
283.19107	0.7
284.02795	2.9
285.04254	0.9
287.16458	1.9
289.18088	100.0
290.18475	9.0
297.04004	0.7
301.03555	0.9
301.20206	2.0
305.08679	1.2
307.19122	8.0
308.19669	0.8
311.02051	0.3
313.03336	0.8
323.09973	1.0
325.03503	1.4
331.04370	0.6
379.12354	0.6
391.87704	0.4
397.13474	31.4
398.13907	2.4
403.06683	8.9
404.07129	0.8
415.14554	23.5
416.15002	1.7
514.23346	0.4
546.62372	0.4
557.23792	1.1
585.23370	1.6
627.02136	0.3
687.32336	1.1
694.91608	0.3
705.27539	10.2
706.27704	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	705.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13747	0.6
57.03382	0.6
59.01340	6.7
61.98796	4.3
65.34356	0.5
69.03444	0.8
70.81011	1.3
71.01357	5.8
71.04971	1.3
72.99252	1.0
73.02884	0.9
73.23141	0.6
83.01366	0.9
83.04993	0.8
85.02915	1.6
87.00833	1.5
89.02438	5.8
95.04978	0.9
96.96037	0.8
97.02915	1.4
97.06554	0.7
99.00771	3.1
101.02454	5.3
104.71152	0.6
109.02869	1.3
109.06590	1.8
111.04466	1.5
113.02445	2.7
119.03506	1.9
123.08094	0.7
125.01697	0.6
125.02460	2.5
125.09676	0.9
136.25510	0.5
142.39934	0.5
143.03497	1.2
145.06546	0.8
161.02443	0.6
163.11223	0.9
169.12454	0.6
171.10281	2.8
175.02498	0.8
179.05608	1.6
181.12361	1.5
183.04587	1.8
185.11769	0.7
195.13860	0.9
197.11902	0.8
199.03970	0.7
199.13385	1.9
201.11345	0.7
207.10223	4.1
208.10677	0.7
209.11818	2.4
211.03995	2.6
221.19167	1.7
225.11298	5.6
227.03464	4.6
227.12988	1.7
235.08226	2.1
238.02802	0.8
239.03580	0.9
243.02737	0.8
243.12492	3.1
245.19115	1.2
249.08562	0.7
253.09334	0.8
254.02275	0.9
255.02950	7.4
258.01651	2.0
259.02505	1.8
265.18161	1.5
266.02075	0.7
267.02890	0.9
269.00992	1.9
271.02414	3.3
272.03241	1.7
282.01462	0.8
283.02481	100.0
283.19168	2.2
284.02847	8.4
285.00476	0.6
285.04010	2.0
289.18118	33.1
290.15048	0.6
290.18442	1.8
297.03931	1.5
298.01099	1.3
299.01889	1.2
301.03485	2.4
301.20166	7.5
307.19073	3.2
313.03430	3.6
325.03488	5.0
331.04596	1.5
355.04584	0.8
369.69147	0.7
385.05219	0.9
397.13474	9.1
403.06705	27.4
404.06836	2.4
415.14603	7.2
539.22870	0.8
557.22980	2.7
585.23505	4.9
633.30585	1.2
687.32019	3.4
705.26685	33.2
706.27338	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	705.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37828	0.7
57.59996	0.5
59.01256	2.4
61.98713	3.0
63.15651	0.5
71.01264	2.0
71.52247	0.6
74.02325	0.6
81.96921	0.6
87.00779	0.7
89.02339	0.9
99.00823	0.6
101.02335	0.9
101.16398	0.6
106.17113	0.6
113.02338	0.8
119.03428	0.8
125.02412	1.0
128.03435	1.8
143.04539	2.4
163.11108	0.6
166.66750	0.6
169.12181	0.7
171.10161	2.1
175.00262	1.2
181.12411	0.7
183.04446	2.0
195.06512	0.6
197.11806	1.0
199.04005	1.1
201.11295	1.0
211.03947	2.4
225.11244	2.1
227.03423	4.9
227.05351	0.7
238.02678	1.3
238.89810	0.7
239.03452	2.0
253.09198	0.8
254.02284	1.0
255.02975	10.8
256.03506	0.9
258.01709	1.6
259.02307	1.8
266.02103	1.0
267.03082	0.8
271.02521	2.8
272.03223	2.6
283.02469	100.0
284.02789	7.4
285.04129	1.3
289.18167	2.4
296.03223	1.5
297.04099	2.6
298.01108	1.3
301.03406	1.5
301.20337	0.7
306.07529	3.2
307.07806	1.7
308.06985	0.8
311.01773	0.8
313.03580	1.2
324.99933	0.9
325.03540	7.5
326.03906	0.7
331.04443	1.3
355.04483	0.9
356.64124	0.7
397.13602	0.9
403.06711	14.0
404.06787	1.2
557.23486	3.2
562.21545	0.7
585.23389	9.1
586.23932	1.6
687.32214	1.1
705.27460	43.9
706.27905	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	704.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
60.01587	0.4
61.01694	0.2
61.98703	100.0
62.98390	0.3
78.95783	0.3
132.73666	0.1
152.99525	0.1
209.65063	0.1
211.13516	0.1
255.23180	0.2
276.05402	0.1
441.13556	0.2
482.15213	0.2
483.15295	0.8
484.15485	1.2
497.16986	0.2
498.17007	0.6
499.18149	0.2
500.18814	0.3
542.16418	0.2
543.17145	0.3
555.18329	0.1
556.19019	0.4
557.18817	1.6
558.19135	2.7
559.19324	0.3
574.15625	0.2
575.15796	0.7
588.17175	0.2
589.17249	0.2
643.22754	0.4
644.22839	1.8
645.23743	0.1
679.04498	0.1
703.24719	0.5
704.24493	4.7
705.23163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27622	1.0
55.88710	1.0
57.03325	2.6
59.01251	10.8
60.68958	0.9
61.98700	5.7
69.03325	0.9
69.26953	3.7
69.27374	5.7
71.01257	17.1
72.99181	17.0
73.02789	1.5
75.00751	6.1
78.39641	1.0
78.95783	1.1
81.29929	0.9
83.01260	4.5
83.04913	1.8
85.02825	2.8
87.00758	9.6
89.02335	6.2
98.19850	2.0
99.00770	11.0
101.02348	6.4
109.06462	1.1
109.59663	0.9
111.00778	4.1
112.98696	16.8
113.02346	3.2
113.99482	3.1
114.11436	1.0
115.00264	19.7
119.03401	1.5
119.80176	1.1
124.98711	1.3
125.09651	1.3
129.01836	2.3
135.02904	3.0
142.99767	14.8
145.01276	1.5
156.00554	4.4
157.01408	1.6
161.04453	2.0
161.09583	1.0
165.12744	1.9
171.10139	1.4
173.00847	7.8
174.01617	100.0
175.02393	32.9
175.57242	1.0
183.41039	1.0
197.11786	4.3
207.10275	1.3
209.11836	2.2
221.11896	2.1
225.11308	4.4
235.13414	1.3
237.11176	2.3
253.09238	24.8
253.14616	1.4
277.14255	1.2
278.40002	1.1
283.02478	3.5
293.21234	91.2
294.21609	7.1
305.21213	3.9
319.19373	1.7
319.22849	4.2
331.19202	1.9
333.20865	2.2
345.20676	7.5
369.21271	1.0
473.20166	2.2
494.44583	1.2
515.21387	2.9
529.30151	6.5
551.22888	1.2
567.28229	4.3
581.29907	2.5
585.29175	12.5
586.29449	1.8
599.30798	4.5
603.29633	3.4
613.28320	1.5
623.30756	1.5
625.28516	4.2
643.29956	7.6
644.30164	1.5
667.29584	1.9
685.20050	1.1
685.30853	5.3
686.31641	1.5
703.31671	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	703.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03315	2.6
59.00985	2.1
59.01255	18.3
61.98703	4.3
68.99705	2.5
71.01257	23.1
71.52141	2.2
72.99181	21.1
73.02845	2.4
75.00749	13.7
76.82114	1.1
83.01225	6.3
83.04907	1.9
85.02841	4.2
87.00757	16.7
89.02331	6.5
95.01276	2.0
95.04913	1.3
97.02851	2.3
99.00762	12.8
99.04381	1.2
101.02318	9.2
109.02826	2.1
109.06428	2.2
111.00777	7.7
112.98699	24.0
113.02354	4.0
113.99523	2.6
115.00267	25.0
116.00557	1.1
119.03413	1.7
119.04935	1.5
121.02815	1.2
123.08077	1.7
124.98706	2.5
125.02402	1.5
129.01804	4.4
135.02896	3.7
135.04457	1.4
139.07504	1.2
142.99771	22.8
145.01318	3.4
151.03894	1.5
156.00586	3.9
159.99567	1.2
161.04495	2.1
163.03938	2.6
165.12793	2.7
171.10172	2.9
173.00827	9.9
174.01620	100.0
175.02408	40.2
175.03928	2.8
177.01848	1.4
179.05489	1.5
183.13820	3.3
185.11768	1.3
197.11752	2.4
209.11618	2.8
211.13419	1.5
213.11192	1.8
221.11945	1.3
225.11301	4.9
227.12881	1.8
235.08289	1.9
235.13339	2.9
237.11443	1.7
239.12881	1.2
253.09254	22.6
277.21719	1.8
283.02454	4.3
293.21231	95.3
294.21631	9.1
305.18024	1.7
305.21045	6.8
307.22815	1.6
315.19684	2.9
317.21194	3.6
319.19333	1.4
319.22821	3.3
327.19662	2.9
331.19128	4.8
333.20789	3.5
343.18958	1.7
345.20743	8.3
346.21152	1.9
351.05991	3.1
366.43604	1.2
445.20700	1.8
451.82095	1.3
512.22992	1.4
529.30145	7.9
567.28253	9.8
569.29639	2.3
579.28052	2.8
581.29645	6.3
583.25922	1.8
585.29175	16.1
595.26941	1.5
597.29382	8.4
599.31012	2.3
603.30261	2.6
605.29456	1.6
607.27582	14.1
608.27472	1.5
615.30493	2.2
623.31207	2.1
625.28583	9.1
626.29126	1.8
637.28479	7.7
638.29108	1.5
641.31879	2.1
643.29675	8.6
644.29907	1.5
649.28754	2.7
667.29633	8.1
685.31024	12.6
686.30737	1.5
703.32788	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	703.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21720	2.0
57.03331	2.8
59.01252	18.0
60.13688	2.5
61.98711	10.4
69.03333	3.5
71.01258	21.4
71.44796	4.3
72.99171	15.0
73.02831	2.4
75.00760	10.9
78.95783	8.3
83.01239	2.4
85.02850	4.7
87.00750	9.9
89.02323	6.8
97.02795	2.4
99.00755	10.2
101.02335	11.3
111.00800	3.4
112.98691	19.8
113.02315	4.0
115.00270	21.9
121.02871	2.4
128.03403	2.6
129.01845	4.2
135.02896	3.2
142.99776	13.8
149.37151	2.3
152.99486	3.8
156.00500	2.8
157.08609	3.4
161.04462	3.2
171.10165	4.1
173.00842	9.0
174.01613	100.0
175.02409	32.1
196.14413	2.5
197.11821	11.0
207.10365	3.7
209.11827	5.5
211.13315	6.4
214.86108	2.5
225.11281	5.5
253.09300	26.4
255.23228	5.2
272.03510	2.8
283.02429	8.7
293.21231	97.7
294.21564	6.8
305.21201	4.0
319.22836	3.3
333.20834	2.5
345.20743	8.1
529.30334	8.5
536.73621	2.7
567.27722	6.3
581.29913	3.0
585.29211	14.6
597.28857	3.0
599.30792	4.3
607.27954	5.5
620.88544	2.9
625.28558	7.4
643.30701	5.3
655.14777	2.8
685.30853	9.7
703.30127	7.1
703.45630	3.9
704.30627	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	703.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.4
63.99455	0.7
71.51292	0.7
93.03364	1.0
109.02831	1.6
120.01093	0.7
133.74423	0.6
137.02357	1.3
155.66676	0.8
186.89867	0.7
227.03516	1.0
229.05052	0.8
243.02953	2.7
244.03752	0.9
255.03046	1.4
258.01688	16.3
259.02448	16.0
260.02850	0.8
262.29120	0.7
271.02481	14.4
272.03214	16.6
273.04019	5.5
283.02481	4.6
285.04126	3.8
287.02029	1.6
298.01172	1.8
299.01895	1.8
301.03525	100.0
302.03845	8.0
304.02133	1.0
313.03549	3.8
315.05026	2.2
325.03552	1.1
331.04593	31.3
332.04895	2.4
343.04440	2.2
403.06604	3.7
421.07736	30.2
421.13458	1.2
422.08319	3.6
463.08432	1.1
565.11951	1.0
583.11011	20.9
584.11188	3.1
613.11810	2.9
703.15192	22.0
703.26984	1.1
704.15161	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	703.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.48251	0.8
69.41788	3.9
69.42210	2.8
89.93564	0.8
91.48513	0.9
93.03327	6.1
137.02312	8.3
198.03200	1.3
211.03992	1.9
227.03378	1.8
238.02756	1.0
248.82562	0.9
254.02069	4.8
255.02963	4.4
258.01614	1.1
259.02515	3.0
267.02737	1.0
268.03876	1.2
271.02353	4.5
272.03256	18.5
273.03815	3.1
282.01700	15.0
283.02472	100.0
284.02829	8.4
285.04086	1.1
287.02072	1.3
296.03256	2.0
297.04047	1.0
299.01877	1.6
301.03400	7.0
304.02261	2.2
311.02060	1.0
313.03571	1.8
315.05060	0.9
324.02689	1.3
325.03589	7.5
330.03912	1.0
331.04565	3.0
403.06741	17.3
421.07477	2.4
445.07788	10.5
446.08533	0.9
463.08688	6.7
493.10446	4.0
541.09888	64.1
542.10083	9.1
565.03320	1.7
565.11969	20.9
566.12292	2.4
583.02942	0.9
583.12189	5.0
640.33081	0.9
651.85382	0.9
703.15039	24.5
704.15424	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	703.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37738	0.4
58.46038	0.3
65.24673	0.4
69.46441	2.7
69.46828	0.6
73.52404	0.3
77.84361	0.4
81.52710	0.3
87.07380	0.3
91.80745	0.3
93.03330	5.3
93.54090	0.3
104.65742	0.4
109.02743	0.4
128.17644	0.4
137.02332	5.1
161.10954	0.5
166.30051	0.3
169.70660	0.4
183.04350	1.0
194.09410	0.4
199.03893	0.4
211.04109	1.8
215.45726	0.4
227.03442	3.2
228.03775	0.7
237.01968	0.5
238.02634	0.7
239.03444	1.0
254.02298	0.8
255.02977	7.4
258.01743	0.7
259.02444	1.6
266.02185	0.6
267.02881	0.6
271.02518	1.7
272.03241	6.0
273.03967	1.4
282.01706	3.8
283.02469	100.0
284.02783	7.5
285.04065	1.1
296.03296	0.8
297.04004	0.9
299.01981	0.4
301.03513	7.3
313.03519	1.6
325.03503	5.4
331.04584	4.3
403.06668	18.2
404.07077	1.8
421.07837	2.7
422.07712	0.6
445.07635	2.0
463.08383	0.7
541.09882	35.4
542.10229	5.5
565.11713	0.4
583.11877	0.6
600.50702	0.4
703.15100	7.6
704.15503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32495	0.4
52.45662	0.4
57.03296	1.1
59.01245	6.1
61.98676	0.5
69.41010	0.4
69.86528	1.7
78.95779	30.9
80.96379	0.6
93.22324	0.5
96.95872	0.7
96.96811	1.6
110.98412	13.8
113.09590	2.5
127.00007	1.3
127.99514	0.5
131.49342	0.4
141.01616	4.5
152.99490	10.6
167.01065	5.0
171.10161	0.7
177.12759	0.5
179.14270	1.3
181.12219	0.7
185.02002	0.7
192.97234	0.7
195.13821	15.7
196.14189	1.3
197.11775	0.5
209.00311	0.7
223.01915	0.7
255.23268	93.0
256.23596	10.0
274.97675	0.7
277.21725	14.5
278.22137	2.0
291.00705	0.7
291.19669	1.0
293.21292	1.6
294.21472	1.3
295.22772	100.0
296.23117	10.2
305.02380	0.8
309.20877	0.8
356.97940	1.3
391.22620	2.5
405.24081	1.4
409.23611	1.3
410.99725	0.5
423.25140	7.9
424.25693	0.7
445.19110	0.5
445.24368	0.6
447.21411	0.9
463.24692	1.4
464.24979	0.9
465.21841	2.2
701.47620	39.8
702.47888	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	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.51656	3.9
78.68633	3.0
78.95779	14.3
92.96049	3.5
98.84319	3.5
110.98412	5.5
152.99477	12.6
158.23206	3.1
166.72014	3.1
167.00951	4.2
195.13873	4.5
209.11877	3.7
240.09229	3.0
245.06801	3.4
255.23289	53.0
277.21771	6.5
290.26071	3.8
293.21439	3.4
295.22702	51.5
309.58011	3.5
423.25058	6.1
437.12296	3.9
438.13394	4.2
463.25095	3.7
481.15164	53.7
482.15561	10.7
495.16519	11.6
497.17722	3.7
504.05203	3.6
540.16992	9.5
555.18768	91.3
555.27277	5.2
556.19031	16.3
572.15454	18.0
573.15265	7.0
641.22528	40.1
642.22827	10.1
701.24701	74.7
701.47729	23.5
702.24841	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	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77857	0.4
54.68274	0.4
59.01252	100.0
68.97398	0.4
71.27058	0.4
78.95797	0.6
98.19732	1.0
101.42142	0.4
102.42664	0.5
158.50539	0.4
167.08087	0.5
229.84660	0.8
247.61186	0.4
255.23279	1.5
295.22754	1.8
379.03925	0.5
437.12564	1.1
438.13440	3.5
439.13461	1.2
452.14734	1.9
453.15308	1.0
467.13562	1.0
480.14645	0.7
481.15195	29.0
482.15479	7.7
495.16785	11.7
496.17310	3.0
497.18344	4.8
498.18436	1.3
509.14853	0.5
514.14740	1.7
515.15686	0.6
523.16345	0.6
524.16260	0.7
525.13983	1.0
528.16656	0.6
539.15247	2.5
540.16443	8.4
541.16400	2.2
554.18182	3.0
555.18848	52.9
556.19067	13.3
567.18512	1.0
572.06641	0.8
572.15497	14.1
573.15710	3.3
586.17059	6.4
587.17383	1.5
603.77429	0.5
609.19818	1.5
627.20776	1.5
641.22516	24.4
642.22839	7.4
701.24652	56.0
702.24823	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	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22739	0.3
57.03329	0.6
59.01254	4.7
61.98701	1.2
64.29452	0.3
71.01258	3.6
72.99170	0.7
73.02808	1.2
83.01263	0.4
85.02821	0.9
87.00745	0.7
89.02324	2.8
94.62347	0.3
97.02827	0.5
97.06473	1.0
101.02317	4.1
113.02338	1.5
113.09598	1.3
115.07549	0.4
119.03418	0.5
125.02326	0.3
125.09612	1.9
127.11209	2.4
134.49048	0.4
134.71866	0.3
145.04926	0.6
153.09106	0.6
161.04478	1.3
165.12764	1.1
167.10703	0.4
167.14336	1.1
171.10179	100.0
172.10527	4.9
179.05516	0.8
181.12296	1.8
193.12273	0.8
195.13853	2.0
211.13324	1.8
221.15424	1.6
229.14288	0.5
229.47803	0.6
235.08194	4.5
240.13461	0.5
247.20638	1.6
253.09248	8.5
255.23264	0.7
263.20087	0.6
265.21680	0.4
273.18619	1.6
281.21201	0.6
291.19669	20.8
292.19958	2.1
293.27383	0.3
309.20703	56.0
310.21078	5.2
311.22272	0.5
407.18954	1.7
527.28546	2.8
528.28888	0.7
545.29620	8.5
546.29681	1.3
699.39325	4.0
700.39655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18199	0.7
57.03323	4.8
58.00463	1.0
59.01251	7.7
66.07097	0.6
69.03323	1.8
70.90161	1.9
71.01253	7.8
73.02826	1.1
78.95767	0.7
79.04220	0.7
83.01232	0.9
83.04899	1.2
85.02810	1.7
87.00739	1.2
87.95184	0.6
89.02316	7.4
95.04890	1.6
97.06473	14.0
101.02312	7.1
111.08028	2.9
112.81693	0.7
113.02358	3.7
119.03395	1.6
123.08052	6.1
125.02312	0.8
125.09615	90.5
126.09995	3.3
127.11171	2.7
131.03288	0.6
143.03445	0.8
143.10678	1.4
161.04480	2.2
169.08598	2.4
169.12253	1.0
171.10185	100.0
172.10513	3.7
179.05562	1.1
181.12254	1.4
187.09691	62.2
188.09981	2.3
195.13834	2.5
197.11792	13.3
199.13350	1.4
211.13380	3.3
223.13345	1.4
235.08203	3.9
247.20506	1.2
253.09258	12.4
261.13547	1.1
273.18469	0.9
275.20059	0.9
291.19675	15.1
292.20004	1.2
293.21231	8.1
309.20703	43.7
310.21085	3.5
405.17566	4.3
407.19336	1.7
407.25317	0.7
423.18716	11.1
424.19077	1.2
462.62909	0.7
527.28522	1.6
537.33252	0.9
545.29443	3.1
610.31616	0.7
652.68799	0.9
658.71124	0.9
699.39557	81.8
700.39856	15.0
721.99896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55563	0.3
57.03328	0.9
59.01256	1.7
61.98692	0.9
69.03322	1.0
69.79889	2.0
70.35069	0.3
70.98792	0.3
71.01256	2.1
72.99184	1.7
73.02822	0.8
81.03345	0.4
83.01265	0.5
85.02814	2.8
86.78485	0.3
87.00768	0.6
88.13094	0.4
89.02334	0.8
95.01254	1.0
97.02837	0.8
98.20509	0.4
99.00758	0.8
101.02334	1.0
106.92755	0.3
108.02056	54.7
109.02885	9.7
113.02343	1.6
119.04915	0.5
121.02830	0.9
123.00776	0.8
123.04372	0.6
125.02409	0.4
134.03627	0.9
135.04407	1.1
135.11661	0.5
137.02385	0.5
149.02216	0.4
149.06049	0.4
151.03914	1.3
152.01060	100.0
153.01836	5.4
153.09114	1.1
160.01582	0.9
163.03929	4.1
165.01866	0.8
175.03918	2.3
177.01854	0.9
179.03455	1.0
179.10724	1.6
179.26369	0.3
193.04985	0.6
207.02905	0.9
214.90497	0.4
219.34399	0.3
267.15994	2.3
287.22339	0.7
297.06360	0.4
315.07285	1.4
337.09308	1.0
429.10355	11.6
430.10742	1.1
447.11307	3.6
449.27460	0.5
515.35413	0.4
563.30957	1.5
593.12885	0.4
697.27112	86.1
698.27399	17.1
715.21924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85680	0.9
59.01241	2.1
69.81465	4.5
71.01257	3.3
73.02821	2.0
85.02817	3.7
87.00775	1.2
89.02328	1.1
92.22281	0.7
95.01267	2.5
97.02837	0.9
98.20481	1.3
99.00774	1.4
99.04403	8.4
101.02313	2.1
108.02055	56.6
109.02865	9.5
113.02338	1.9
119.04874	1.4
121.02895	0.9
123.00747	1.2
123.04433	1.1
125.02305	0.8
135.04443	1.1
137.02377	1.3
151.38562	0.8
152.01059	100.0
153.01729	5.7
154.01877	0.8
161.04463	1.5
163.03940	3.6
165.05348	1.0
177.01869	1.3
179.03351	1.3
179.99049	1.0
199.99600	0.8
238.97299	0.8
245.46973	0.9
252.07066	1.0
272.09189	0.8
379.91846	0.9
429.10257	10.6
429.14688	0.8
445.67020	0.9
447.11395	9.2
529.15656	16.2
530.15796	1.8
679.26245	9.2
680.26660	2.4
697.27130	48.8
698.27588	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	697.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
61.90702	0.8
61.98702	3.0
62.08693	0.9
70.43145	2.2
70.43535	1.7
71.01259	3.5
72.99159	1.3
78.13376	0.8
85.02827	1.9
87.00777	1.2
89.02313	1.3
93.03355	1.6
97.74509	0.8
101.02334	1.6
108.02057	20.8
109.02843	6.4
113.02347	1.9
121.02847	4.8
123.00794	1.4
123.04429	2.6
135.04395	2.8
136.01563	17.9
137.02318	3.8
143.04559	1.1
145.02899	1.0
147.04408	1.2
151.03912	21.2
152.01065	29.6
153.01807	2.9
161.02408	1.1
161.04454	1.0
161.05917	1.9
163.03932	2.6
164.86923	1.1
165.05421	1.1
171.72102	0.9
172.05222	1.5
175.03940	1.8
177.05495	1.6
187.03943	1.2
189.05469	2.3
190.06267	3.5
191.07086	1.0
203.07022	1.1
212.04631	1.1
223.14055	1.2
241.05115	2.3
253.05013	2.7
255.06593	1.0
264.04291	0.9
265.04953	1.4
269.04642	6.7
270.05011	1.1
279.06720	1.5
280.07352	2.6
281.04526	8.3
281.07703	1.5
283.02460	2.0
283.06027	1.5
284.06949	5.3
289.99411	1.0
291.06525	1.3
293.08041	1.5
294.09122	1.3
295.06250	1.2
295.09692	1.0
296.06940	9.1
296.09970	1.5
297.07474	1.4
298.08661	1.2
299.09207	6.6
307.05984	1.0
307.09720	1.1
311.09247	6.4
313.10788	1.7
321.07523	1.3
323.09204	3.8
324.09894	1.8
329.09842	1.3
336.09857	2.7
337.10764	2.0
339.12360	2.1
373.12976	2.2
381.13364	1.5
399.14429	3.5
415.11990	1.1
427.11829	3.2
429.10321	3.5
441.13538	1.7
442.14325	2.8
445.17041	1.7
447.11453	3.0
457.12573	1.8
472.15051	2.8
473.15732	1.2
475.18152	8.1
487.13803	4.4
487.18539	2.7
488.18500	1.0
490.16623	2.4
491.16602	1.5
499.17245	1.7
502.16486	4.8
503.17035	1.0
505.18671	51.8
506.19049	10.3
517.18671	100.0
518.18982	17.3
535.19763	10.1
536.20172	2.0
653.33911	2.2
697.27240	24.2
698.27130	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	697.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32384	0.3
55.01749	0.3
57.03326	0.9
57.03607	0.3
59.01253	6.8
61.98698	0.4
69.03316	0.8
69.24952	2.4
69.25358	0.6
71.01251	4.9
72.99184	0.9
73.02821	1.4
81.03334	0.5
83.01258	0.8
83.04929	0.5
85.02813	3.6
87.00736	0.6
89.02320	1.5
95.01270	1.7
96.95869	0.4
97.02810	0.5
99.00771	2.3
101.02344	2.5
107.04932	0.3
108.02055	57.3
109.02874	11.7
110.03156	0.4
113.02335	2.3
119.04935	0.4
121.02840	1.0
122.03640	0.4
123.00816	1.5
123.04430	1.0
125.02319	0.7
133.02864	0.5
134.03625	0.7
135.04417	1.1
137.02312	0.3
151.03955	1.8
152.01060	100.0
153.01738	6.0
159.02888	0.4
161.04422	1.7
161.09605	0.5
163.03918	5.1
163.11224	0.6
167.03345	0.5
175.03929	0.5
177.01823	1.3
179.03421	1.1
187.11145	0.5
193.04947	0.5
207.02917	0.9
223.13293	1.4
249.11229	0.5
263.44193	0.3
267.12286	0.7
271.08234	1.4
283.02490	0.3
291.81134	0.4
315.07141	1.8
403.12433	0.9
429.10342	6.4
447.11444	36.3
448.11844	3.7
534.27423	0.3
635.23785	0.6
637.21399	0.7
653.24823	2.0
679.22485	0.5
697.23492	74.3
698.23828	15.6
698.36218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00983	2.0
59.01250	6.1
61.98687	2.5
62.46415	1.6
62.81533	1.7
69.93676	6.0
71.01253	3.2
78.95772	3.9
109.02820	2.6
111.08038	18.0
115.66182	1.5
127.99572	1.6
169.12199	5.0
171.10071	1.8
181.12137	1.7
197.11765	72.7
198.12038	3.8
199.13362	2.3
209.11758	3.1
211.13303	8.0
227.12880	2.6
253.09224	2.0
263.20142	2.1
265.18161	3.7
287.05545	1.7
289.62833	1.9
291.19659	18.7
292.19958	1.8
293.21140	3.4
309.20694	100.0
310.21097	10.7
311.22284	15.9
312.22632	2.2
394.18750	1.7
517.12189	1.6
718.65985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77590	1.4
59.01237	4.5
59.11327	1.4
61.98701	3.3
69.17215	7.2
69.17644	6.6
99.00703	2.5
123.00811	1.9
123.04391	1.5
151.03931	4.0
151.07567	12.8
152.08353	7.1
157.77440	1.7
163.11172	4.3
165.12746	4.9
171.10165	3.5
179.14368	2.3
181.36853	1.5
185.11760	2.1
193.15929	2.0
209.11693	2.1
209.15408	18.9
247.20625	5.6
252.10046	2.9
265.18210	4.2
283.02417	1.9
291.19672	57.3
292.20029	6.6
309.17053	35.4
309.20700	100.0
310.17694	3.5
310.21011	10.4
364.04504	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	695.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98529	1.9
59.01245	9.0
61.25522	2.1
61.98702	4.2
68.90015	2.0
69.03313	3.0
73.02797	2.3
75.00752	3.5
78.95776	2.8
82.34000	2.2
89.02313	2.3
96.13274	2.4
97.02840	7.9
111.08045	7.0
119.08558	2.6
125.09577	3.3
153.46931	2.3
165.12779	6.1
171.10190	7.1
185.11803	3.3
197.11734	30.3
209.11812	10.1
211.13364	4.5
227.12788	4.9
247.20644	3.1
249.15141	2.6
279.23343	2.8
291.19656	45.1
292.20169	5.3
309.20694	100.0
310.21146	7.7
475.74573	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98710	1.4
63.17623	0.7
77.00138	0.8
78.48141	0.6
78.95776	11.9
81.48207	0.8
82.90197	0.7
111.32495	0.8
123.11283	0.6
125.16576	0.7
149.13501	0.7
184.17880	0.7
200.84248	1.0
205.15825	1.3
229.41861	0.9
229.43918	0.9
243.93143	0.9
263.90143	0.9
279.23239	1.1
293.91470	0.8
311.47406	0.8
632.35614	0.7
695.31134	52.8
696.31378	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	693.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03321	0.8
58.00463	0.8
59.01251	14.8
59.04381	0.2
61.98725	0.2
63.64240	0.2
68.99691	0.2
69.03333	0.7
71.01252	10.9
72.99182	0.7
73.02811	1.8
80.96386	0.4
81.03323	0.7
82.08633	0.2
83.01251	1.1
83.04895	0.3
85.02818	2.3
87.00737	2.2
89.02319	10.7
95.01254	0.8
97.02820	1.7
99.00755	0.8
101.02317	8.5
103.03893	0.3
113.02327	4.2
113.09615	1.8
119.03381	2.6
125.02340	2.9
125.09590	0.3
131.03450	0.2
139.03851	0.4
141.01820	0.3
143.03421	1.3
149.04440	0.2
161.04439	1.8
169.04874	0.3
177.12735	0.5
179.04048	0.3
179.05540	2.6
179.14337	0.8
181.12292	0.3
195.13844	14.2
196.14160	0.8
221.06644	0.8
225.00618	0.3
233.22873	0.3
235.08179	3.1
245.06564	0.3
253.09254	0.6
263.07852	0.4
277.21732	11.1
278.22079	0.9
287.07660	0.4
293.21216	0.4
295.22775	100.0
296.23145	8.3
305.08752	0.8
323.09744	0.4
341.64221	0.2
397.13495	18.4
398.13736	1.4
415.14566	19.5
416.14963	1.5
431.87866	0.2
458.25198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52672	0.3
53.99216	0.2
55.01755	0.4
57.03313	1.0
58.00463	0.8
59.01252	15.8
61.88808	0.3
61.98696	0.6
69.03323	0.4
70.10799	0.2
71.01254	13.8
72.34496	0.3
72.99183	1.0
73.02813	2.1
78.95771	1.3
81.03349	0.6
82.01427	0.3
83.01260	1.4
85.02814	2.6
87.00752	2.2
89.02316	11.3
90.02637	0.3
93.81026	0.3
95.01259	0.7
96.95891	0.2
97.02828	2.0
97.06474	0.5
99.00745	0.7
101.02324	8.5
102.02631	0.3
113.02334	4.2
113.09607	1.5
115.00285	0.4
115.03914	0.3
119.03392	3.1
119.04912	0.8
125.02338	3.1
131.03380	0.3
133.04916	0.3
143.03397	1.9
149.04504	0.3
152.99426	0.4
161.04485	1.7
163.03923	1.2
171.10153	1.4
177.12750	0.3
179.05504	2.5
179.14346	0.7
181.12202	0.5
186.29510	0.3
195.13843	12.7
196.14136	0.8
203.69128	0.3
211.13310	0.9
221.06609	0.7
235.08232	2.8
253.09283	1.2
263.07697	0.4
277.21725	11.8
277.50912	0.3
278.22043	1.2
287.07742	0.7
293.21216	1.1
294.21411	0.8
295.22775	100.0
296.23126	8.8
305.09052	0.6
323.09958	0.6
351.38293	0.3
397.13504	20.9
398.14133	2.0
415.14572	21.3
416.14890	2.0
693.36639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40228	2.0
59.01251	2.2
59.08373	2.3
61.98695	9.0
64.49433	2.2
69.26120	11.5
69.26540	8.7
71.01253	2.8
71.91508	2.1
82.02847	2.2
87.93166	2.7
96.95891	3.7
108.02130	2.4
108.04437	4.9
110.05978	3.2
112.97715	2.0
122.05992	9.9
125.04531	2.3
134.06024	15.9
135.06731	3.0
136.01567	2.1
136.07544	5.1
140.07072	22.6
149.04700	3.4
150.05508	5.3
152.07028	4.3
152.32893	2.6
161.04765	5.6
162.05577	11.7
164.03412	7.0
164.04761	2.2
164.07121	13.8
166.04961	4.3
167.05826	4.6
190.05019	2.7
204.06613	12.6
212.05893	13.5
224.87663	2.4
225.06660	4.5
225.10416	2.8
230.11891	2.5
237.08083	3.5
237.10280	9.9
239.08177	14.3
240.08940	5.4
241.09787	2.9
243.11328	7.8
251.08217	4.1
251.11722	3.9
252.10439	3.9
252.12546	10.5
253.06219	12.6
253.09790	16.5
253.13388	3.0
255.11404	5.9
261.12424	7.7
265.05927	3.1
266.06961	9.6
267.07727	22.6
267.11304	9.8
268.08566	13.2
268.11877	11.6
271.10889	2.7
273.12445	7.0
279.07751	7.8
279.11133	2.4
280.08514	27.8
281.09253	36.7
282.09772	4.3
283.02292	11.3
283.10950	3.1
285.08936	3.3
295.10861	100.0
296.11548	38.4
297.12405	20.0
299.10284	6.2
300.11002	4.5
301.11810	8.1
303.13510	35.2
313.11874	8.1
327.13495	22.4
328.10519	4.7
328.14096	4.3
329.15140	3.2
339.09808	24.6
340.10312	7.2
341.11395	7.7
371.12506	26.0
372.13043	5.6
373.13907	10.0
390.14612	5.3
404.16055	6.3
420.15610	3.1
448.15366	3.4
479.17661	2.6
511.19354	14.5
512.19849	3.5
557.24158	4.9
599.25061	15.1
601.22888	20.9
602.23804	3.0
617.25861	4.8
633.25507	19.1
634.25671	4.6
643.23993	54.2
644.24292	13.2
661.25238	29.2
662.25641	5.9
675.26636	82.6
676.26923	21.4
693.15265	4.7
693.27271	24.9
694.28143	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	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.8
57.03321	4.2
58.00469	0.9
59.01251	25.0
61.98704	2.1
69.03322	1.5
71.01254	24.5
71.04896	0.6
72.01585	0.4
72.99178	1.8
73.02819	3.5
75.00731	0.7
78.95780	0.7
81.03334	1.0
83.01263	2.6
83.04891	0.5
84.02067	0.3
84.93785	0.3
85.02827	4.5
85.06446	0.3
87.00757	5.3
87.04365	0.4
87.59227	0.3
89.02319	21.3
89.04851	0.3
91.03912	0.3
93.03284	0.4
95.01254	1.2
95.04887	0.5
97.02840	3.8
97.06477	0.7
99.00757	1.6
99.04408	0.4
101.02322	16.8
102.02640	0.4
109.02811	0.4
109.06505	1.9
111.00751	0.7
111.04401	0.7
111.08070	0.3
113.02328	8.3
113.09608	13.9
114.09971	0.6
116.63277	0.3
119.03388	5.6
121.02817	0.4
124.01476	0.4
125.02339	6.5
127.03902	0.4
131.03410	1.0
133.04927	0.7
135.11685	0.4
137.02391	0.3
139.11169	1.1
141.01845	0.4
143.03407	3.0
149.04430	0.7
149.09587	0.5
152.99506	0.5
161.02361	0.3
161.04472	4.6
163.11169	0.7
165.12773	0.3
167.03365	0.4
167.10641	1.9
168.15671	0.3
171.10205	1.4
177.12762	0.6
179.05504	3.4
179.10733	1.5
183.13832	1.0
185.04456	0.3
185.11797	0.5
195.13809	1.9
199.06128	0.4
199.09767	0.4
207.10188	3.0
211.13306	1.7
217.06924	0.4
221.06656	1.3
225.11244	2.2
230.53014	0.4
235.08206	7.0
235.16978	2.5
245.06554	0.6
249.22198	2.0
253.09225	2.6
263.07706	0.9
275.20209	4.1
277.09305	0.7
287.07672	1.4
293.21228	100.0
294.21564	10.6
305.08807	1.3
319.10223	0.3
323.09915	1.1
379.12463	0.6
397.13492	46.5
398.13867	4.2
415.14575	27.6
416.15079	2.4
461.20038	0.6
673.34155	0.4
691.35272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.00446	0.8
59.00954	0.9
59.01249	15.6
69.03321	1.2
71.00861	1.1
71.01248	11.7
71.01566	0.2
72.99152	0.6
73.02808	1.5
75.00730	0.4
81.02866	0.4
81.03335	0.6
83.01263	1.2
85.02821	3.0
87.00750	2.2
89.02316	10.7
95.01248	0.9
97.02827	1.8
99.00748	0.4
100.52856	0.4
101.02335	7.7
113.02335	4.3
113.09644	0.5
119.03391	3.3
125.02341	2.4
131.03406	0.6
139.75806	0.4
143.03407	1.8
161.04398	1.3
167.10695	0.6
179.05537	2.7
179.14278	1.0
195.13815	6.9
196.14510	0.4
205.12233	0.8
205.15846	0.7
211.13223	0.5
221.06633	0.9
223.13315	4.9
224.13779	0.6
228.13657	0.7
235.08200	3.3
253.09236	1.0
256.13171	1.0
263.07739	1.1
275.20145	4.0
287.07733	0.6
293.21216	100.0
294.21545	10.2
305.08960	0.7
323.09720	0.7
397.13480	22.5
398.13925	2.1
415.14545	24.4
416.15079	3.2
521.87964	0.5
674.35675	0.5
677.60754	0.5
691.36194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03299	0.6
58.00476	0.9
58.62267	0.4
59.01251	21.3
63.04831	0.4
67.01801	0.3
69.03331	1.1
70.85606	0.8
71.01256	14.8
72.99168	0.9
73.02814	2.3
75.00745	0.5
83.01266	1.4
85.02824	3.1
87.00751	3.2
89.02317	11.0
89.02840	0.8
95.01255	0.8
97.02863	1.9
97.29843	0.3
98.19836	0.4
98.49339	0.3
99.00768	1.3
101.02326	10.7
102.41880	0.4
111.00769	0.6
111.04450	0.5
113.01626	0.6
113.02339	5.6
113.09644	0.6
119.03391	3.0
125.02328	3.2
131.03403	0.5
141.01910	0.4
143.03436	1.9
147.86325	0.4
149.04442	0.6
151.03851	0.3
161.04462	2.4
179.05521	3.0
179.14342	0.6
180.49196	0.4
184.29720	0.3
185.04381	0.5
195.13853	8.0
196.14435	1.1
205.12296	0.8
211.13098	0.4
221.06593	1.7
223.13336	6.2
224.13719	0.5
226.07188	0.5
228.13536	0.4
235.08223	3.8
253.09311	0.9
253.49205	0.5
256.13211	1.2
263.07840	0.5
265.21713	0.5
268.21350	0.4
275.20154	4.4
287.07883	0.9
293.21225	100.0
294.21582	9.5
305.08731	1.1
323.10132	0.4
397.13486	20.4
398.13852	1.5
415.14578	22.2
416.14938	1.7
569.99054	0.4
680.25812	0.4
721.68500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77891	0.5
69.78300	1.1
104.08427	0.3
109.02826	0.5
155.04932	0.4
171.04449	0.5
171.10120	0.4
175.00299	0.5
179.37939	0.3
183.04437	2.4
185.02335	0.4
197.11726	0.3
198.03137	0.4
199.03914	0.9
209.11749	0.3
211.03931	3.1
227.03461	5.9
228.03821	0.3
237.02045	0.3
238.02670	1.2
239.03485	1.7
243.02942	0.3
254.02190	0.9
255.02992	8.9
256.03357	0.6
258.01550	1.4
259.02444	2.2
265.01685	0.4
266.02115	0.5
267.03012	1.1
268.03644	0.6
269.04666	0.4
271.02435	3.5
272.03223	3.7
273.03766	0.4
281.04590	0.7
282.01730	0.7
283.02463	100.0
284.02805	7.6
285.04083	2.1
287.22287	0.6
296.03085	1.8
297.04001	1.6
298.01199	0.9
298.04297	0.4
299.01987	0.6
301.03555	1.0
311.01901	0.8
313.03525	1.6
324.02716	0.5
325.03488	6.2
326.04099	0.5
331.04697	0.8
355.04642	1.1
385.05750	0.3
403.06717	12.6
404.07193	1.4
543.26044	4.2
544.26373	0.7
571.25482	9.2
572.25739	1.8
583.25299	0.7
598.87030	0.3
601.26544	0.8
673.28967	0.5
691.29675	47.7
692.29950	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	691.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51985	1.2
57.03318	2.0
58.18563	1.3
70.85177	4.0
74.81541	1.3
81.03310	3.0
81.69566	1.4
83.01262	2.5
84.12983	1.6
95.04880	3.1
96.95898	8.4
97.02823	5.4
109.02156	1.8
109.02843	22.9
112.10889	1.3
121.02837	1.9
123.04418	14.5
125.02325	14.6
137.02344	10.9
139.03920	2.8
146.03583	1.6
149.02342	3.1
150.03101	3.9
151.03955	9.5
152.63606	1.4
157.21593	1.5
159.04402	3.3
160.05180	1.5
161.05969	3.2
164.00993	2.2
165.01826	3.0
175.03908	2.9
179.03395	5.5
187.03894	3.4
188.04678	4.7
203.07040	11.3
205.04959	6.3
221.08139	2.4
227.07037	2.2
230.06007	1.5
245.08180	16.0
247.05971	1.9
289.07175	100.0
289.16431	2.1
290.07520	8.4
398.77042	1.5
401.14240	3.1
488.23489	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77931	0.4
54.64547	0.4
56.43648	0.5
57.03318	2.0
58.00467	1.3
59.01250	20.5
61.98714	3.4
69.03324	1.3
71.01253	18.3
71.01575	0.3
71.01656	0.4
71.52621	0.5
72.99180	1.7
73.02818	3.2
75.00747	0.7
78.95759	1.9
81.03357	0.8
83.01244	1.6
83.04897	0.5
85.02818	3.5
87.00752	4.8
89.02313	15.3
95.01260	1.1
95.04922	0.5
97.02833	3.0
97.06473	0.8
99.00753	0.7
101.02319	14.1
102.02569	0.4
109.06516	0.6
111.08043	5.9
113.02330	5.8
113.09605	0.6
119.03387	4.9
121.10171	2.6
125.02332	4.8
125.09578	1.4
133.04980	0.6
137.09625	0.5
139.05891	0.5
141.01692	0.6
143.03407	2.9
152.99478	0.6
161.04443	2.4
163.11130	0.5
165.12840	0.6
167.10712	1.3
171.10182	1.8
177.12764	1.0
179.05510	2.2
179.10712	1.1
181.12177	0.6
185.06546	0.5
185.11755	4.1
195.13832	3.8
197.11806	1.1
203.14351	0.8
209.11784	3.6
211.13327	2.9
221.06607	1.1
225.11211	1.0
227.12892	0.6
235.08223	5.2
247.20673	1.9
253.09215	2.0
257.86783	0.5
263.07690	1.0
273.18564	0.9
277.09363	0.6
287.07709	0.6
291.19659	100.0
292.19980	9.5
305.08820	1.3
323.09949	0.6
379.12433	0.6
397.13470	41.3
398.13760	3.3
415.14557	25.1
416.14960	1.6
689.33832	8.3
690.34503	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	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03333	1.7
58.00464	1.0
58.94403	0.3
59.01252	23.5
61.98690	0.5
62.32565	0.2
62.46793	0.3
67.01768	0.3
69.03323	1.2
70.09288	0.3
71.01257	17.5
71.04865	0.3
72.99185	1.6
73.02831	2.5
75.00758	0.6
81.03321	0.9
81.22771	0.3
83.01264	1.7
83.04895	0.7
85.02830	3.3
87.00750	3.6
89.02321	16.4
93.03339	0.4
95.01268	1.3
95.04903	0.8
97.02832	2.4
97.06467	0.5
99.00787	1.4
101.02330	15.1
109.06474	0.5
111.00779	0.4
111.04366	0.4
111.08051	8.8
112.08416	0.4
113.02329	6.7
113.09555	0.4
115.03946	0.3
119.03397	4.5
125.02342	5.2
131.03407	0.9
132.78973	0.3
133.04950	0.6
134.33559	0.3
135.11691	0.3
137.09621	0.8
139.03897	0.3
141.01711	1.0
143.03439	2.5
149.09677	0.5
161.04477	2.6
167.03471	0.4
167.10725	2.4
177.12784	2.0
179.05540	2.9
179.10738	1.9
180.05766	0.3
195.13866	5.3
197.11749	0.3
199.13239	0.4
203.14337	0.3
209.11748	0.7
211.13226	0.3
217.07195	0.3
221.06628	1.3
225.11284	0.4
227.12727	0.4
235.08167	4.6
244.14780	0.3
245.06863	0.3
247.20674	2.0
253.09303	1.3
263.07697	0.4
273.18646	1.5
277.09338	0.4
287.07733	1.1
291.19672	100.0
292.20032	9.2
292.23306	0.5
305.08719	1.4
311.83365	0.3
323.09814	0.8
372.18958	0.3
379.12448	0.6
397.13513	37.8
398.13879	3.3
409.75858	0.3
415.14575	23.7
416.15002	2.2
689.33899	4.5
690.34015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98358	0.2
55.01756	0.7
56.36200	0.2
57.03324	1.6
58.00461	0.9
59.01253	21.5
61.83717	0.3
61.98691	1.0
66.82195	0.3
68.99687	0.3
69.03324	1.2
71.01253	19.3
71.04872	0.3
71.23299	0.4
72.99180	1.8
73.02818	2.8
75.00723	0.4
77.25282	0.3
78.95784	0.3
81.03332	0.7
83.01260	1.8
83.04884	0.8
84.14173	0.2
85.02827	3.5
87.00748	3.8
89.02318	14.8
91.03886	0.3
93.03320	0.5
95.01278	1.0
95.04903	1.0
97.02830	3.1
97.06460	0.3
99.00749	1.0
101.02325	14.4
109.02836	0.5
109.06484	0.4
111.00747	0.5
111.04423	0.6
111.08041	8.9
113.02335	6.4
113.09621	0.5
115.03909	0.3
119.03382	4.4
121.02785	0.3
123.00762	0.3
124.01477	0.3
125.02337	5.1
127.03928	0.4
131.03383	0.6
133.05009	0.6
133.94431	0.3
137.09625	0.4
139.03917	0.6
139.11229	0.4
141.01620	1.7
143.03387	2.6
145.97501	0.2
149.04411	0.5
149.09599	0.5
155.10674	0.3
161.04463	3.1
165.12659	0.2
167.03328	0.4
167.10670	1.8
169.12280	0.3
171.10202	0.6
177.12746	2.3
179.05553	3.2
179.10701	1.6
179.14392	0.3
185.11751	0.3
195.13847	6.7
196.14159	0.4
199.13388	0.3
203.14354	0.4
205.80937	0.3
207.10168	0.6
209.11798	0.8
211.13280	1.0
217.07059	0.3
221.06633	1.0
225.11156	0.2
227.12813	0.6
231.17581	0.3
235.08199	5.1
247.20609	2.4
253.09273	1.4
254.09712	0.3
263.07727	0.8
263.20047	0.3
273.18576	1.4
277.09183	0.6
287.07794	1.3
291.19656	100.0
292.19977	9.1
293.21176	0.3
305.08807	1.2
309.20459	0.3
323.09784	0.8
350.64816	0.3
379.12589	0.5
397.13480	39.3
398.13785	3.0
415.14557	23.2
416.14835	1.9
689.33887	3.8
690.33936	0.7
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
50.31440	0.8
50.87780	0.9
57.03303	1.1
58.00460	1.5
59.01253	20.9
59.26855	0.9
61.98702	2.9
61.99163	0.8
69.03323	2.2
71.01255	23.6
71.51741	1.0
71.52113	1.1
72.99188	2.2
73.02830	3.8
78.95772	1.1
80.08537	0.8
83.01250	2.5
85.02820	5.5
87.00755	6.0
89.01817	1.6
89.02316	15.5
95.01279	2.0
96.95878	1.5
97.02822	4.0
99.00748	2.7
99.04398	2.2
101.02319	14.8
113.02328	8.0
119.03427	5.6
121.19538	0.9
125.02315	5.4
125.09628	1.1
142.06990	0.9
143.03392	4.0
148.08813	0.8
161.04503	4.5
163.11191	3.3
163.56894	0.7
165.12776	21.0
166.13144	1.2
169.12285	2.2
171.10228	5.2
175.02325	1.0
179.05547	2.0
181.12219	2.4
183.13872	9.4
185.11810	1.4
186.76424	1.0
197.11783	4.2
199.13309	4.3
201.11313	1.2
207.10234	5.1
207.11917	0.9
209.11757	8.5
211.13321	2.4
212.92726	0.9
225.11290	8.7
227.12833	3.0
235.08148	6.9
243.12381	2.0
247.20703	9.8
248.20781	1.3
253.09238	4.4
263.07697	1.1
273.18570	5.9
287.07605	1.4
291.19675	100.0
292.19980	7.8
305.08704	1.5
397.13477	35.6
398.13861	1.8
415.14594	24.5
416.14661	1.1
459.16589	1.9
461.20187	1.7
463.21869	1.1
479.21057	1.2
657.31708	1.3
671.32806	2.1
689.34064	19.3
690.34534	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	687.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.4
68.14649	0.3
71.52295	0.5
93.03270	0.3
93.76964	0.3
108.01987	0.4
113.22990	0.3
119.56793	0.3
121.02873	2.5
121.03625	0.5
127.21302	0.3
140.16432	0.4
152.01027	0.6
157.02855	0.3
165.64816	0.3
168.00456	0.4
175.00272	0.4
183.04465	1.5
198.03220	0.4
199.03922	0.5
207.21375	0.4
211.03929	2.9
227.03476	4.1
237.01971	0.4
238.02710	0.8
239.03462	1.4
251.03554	0.5
253.01361	0.3
254.02190	0.9
255.02936	9.1
256.03204	0.4
258.01746	0.9
259.02502	1.3
266.02200	1.0
267.02917	1.1
271.02509	1.3
272.03177	1.4
279.02966	1.3
281.04587	0.9
282.01633	2.3
283.02466	100.0
284.02811	6.6
285.03955	1.1
295.02380	0.6
296.03198	1.0
297.04089	2.0
298.01242	0.6
299.01978	0.4
301.03485	0.8
313.03580	0.8
325.03531	5.5
326.04065	0.6
336.76007	0.3
355.04727	0.9
377.06549	2.1
399.06982	0.4
403.06653	20.8
404.06888	2.0
405.06104	4.1
435.06906	0.6
445.07681	1.2
517.87836	0.3
525.10364	48.8
526.10693	7.1
567.11469	1.1
636.95477	0.4
637.16644	1.1
687.15363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24900	11.7
65.95384	13.9
69.78904	59.2
70.13491	14.1
72.47187	12.6
78.95774	48.8
108.57236	12.5
129.14752	11.8
152.99525	47.2
255.23294	100.0
280.39001	15.1
354.73135	13.0
356.14990	15.7
391.22604	23.1
632.74506	12.8
672.20886	14.4
687.45825	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.9
59.97869	0.6
66.57041	0.6
71.37596	1.0
78.95776	19.5
81.77029	0.6
96.96822	1.1
104.43452	0.6
110.98425	7.6
135.03970	0.6
152.99493	9.2
167.01074	2.9
182.62866	0.5
185.02098	0.7
192.95691	1.5
217.00096	0.9
253.21719	2.7
255.20303	0.7
255.23262	61.3
256.23633	5.7
279.23285	100.0
280.23657	10.0
281.24826	7.9
293.21243	3.0
306.59982	0.6
391.22565	5.5
392.22849	1.2
405.24139	1.0
409.23517	3.0
423.25018	5.6
426.14816	0.6
429.20419	2.0
447.25623	0.7
449.27606	7.7
450.27432	0.7
525.24585	0.6
685.47595	14.1
686.47845	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	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08657	0.7
59.01249	2.9
61.98395	0.6
61.98701	3.8
70.43311	1.7
70.43667	1.3
71.01259	2.0
85.02859	0.8
87.00751	1.4
88.98711	0.7
89.02318	0.7
99.04335	0.6
101.02301	2.0
107.59187	0.7
108.76466	0.6
109.02856	0.8
110.60784	0.7
113.02346	1.0
117.06964	0.9
118.98049	0.8
123.08052	1.4
128.03459	0.7
136.55063	0.7
137.09634	1.0
143.04514	0.8
149.05942	2.0
150.06770	33.0
151.07193	1.1
152.01036	1.0
161.09560	0.8
162.06799	0.9
163.07532	6.3
164.08327	7.0
167.03401	1.6
171.10246	0.8
178.09915	2.3
179.10696	18.7
201.11290	1.5
211.03764	1.0
227.03432	1.9
227.10487	0.7
255.02986	1.6
259.02518	0.8
271.02399	1.2
272.03363	1.4
273.03946	0.7
282.01801	1.0
283.02478	22.4
284.02881	2.9
285.03922	1.1
296.03351	0.8
297.03818	0.8
301.03586	1.8
306.07611	2.7
313.03433	0.8
320.19867	1.4
325.03320	1.0
331.04941	0.8
343.21140	3.9
353.68570	0.8
364.22519	1.8
403.06735	5.6
421.07788	3.6
444.28375	0.8
459.31198	1.3
462.29807	3.0
477.32187	6.1
504.30841	1.2
505.31430	1.8
522.31903	2.5
523.32751	25.5
524.33203	4.4
610.80280	0.8
685.22510	5.2
685.38074	100.0
686.22650	1.6
686.25732	1.5
686.38409	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.2
61.98702	2.9
71.01244	1.9
71.03840	0.7
71.52402	0.9
74.02359	1.0
78.95788	1.7
85.02834	1.6
87.00725	1.4
89.02336	1.7
93.03355	0.7
97.06505	1.8
101.02345	1.3
111.04375	0.9
111.08019	0.9
113.02318	1.0
113.05962	0.8
116.92733	1.0
123.08060	1.3
128.03452	1.0
133.42914	0.7
136.05203	1.0
143.04523	1.7
149.05922	1.6
150.03203	0.8
150.06769	36.7
151.07101	1.4
162.06784	1.0
163.07553	7.1
164.08325	6.6
165.05560	0.9
165.08792	0.8
178.09882	1.5
179.10701	20.0
180.11145	1.1
201.11256	1.6
209.11836	0.9
227.03528	1.3
229.10776	1.5
255.02997	2.5
255.23251	0.8
271.02451	1.4
272.03271	1.2
282.01675	1.0
283.02472	20.9
284.02777	2.7
285.03867	0.9
301.03473	2.3
306.07587	2.9
320.19977	1.9
321.20389	0.9
335.22348	1.3
341.23367	0.8
343.21259	4.7
364.22684	1.3
391.22464	1.2
403.06680	3.6
421.07559	2.4
459.30539	1.1
462.29996	1.9
477.32172	6.2
504.30698	1.3
505.31601	2.4
522.31995	2.3
523.32733	28.8
524.33258	4.1
685.20972	2.9
685.38074	100.0
686.25775	1.2
686.38300	21.1
686.49304	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	684.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21396	0.5
59.01249	1.9
61.98703	100.0
62.69933	0.6
69.29960	1.3
69.30386	3.5
71.01265	1.8
83.04877	0.5
89.02341	0.9
93.03375	0.6
96.95826	0.6
100.58620	0.5
101.02288	0.6
109.02829	1.1
113.02357	0.8
118.97978	0.7
119.04937	0.8
135.30710	0.5
137.02361	0.6
139.03929	0.5
153.77026	0.5
163.03906	1.5
223.13326	0.6
245.34795	0.5
249.69980	0.6
283.02435	2.5
284.02850	0.6
332.52115	0.5
367.75970	0.6
684.39764	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	685.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85058	2.1
59.01255	25.8
61.98703	6.5
70.90143	6.3
71.01244	23.5
72.99189	2.3
73.02818	4.9
74.67645	2.2
75.68832	2.9
77.30666	2.2
78.95782	9.6
83.01259	4.4
84.70828	1.9
85.02833	6.6
87.00751	3.9
88.98703	5.1
89.02335	11.4
93.03326	4.5
95.01273	4.2
99.00752	16.8
101.02334	17.5
108.02052	2.7
109.02821	4.2
111.00811	3.5
113.02322	5.3
119.04881	2.5
121.02844	9.4
123.00756	3.3
123.04400	5.0
125.02302	5.4
132.01846	2.3
135.04414	9.0
137.02350	6.5
139.00244	3.8
145.02856	7.4
147.04381	11.3
149.02353	9.7
149.05998	3.3
151.03876	2.8
152.99535	3.9
156.00609	2.8
159.04430	2.8
161.02348	4.4
161.04442	4.8
161.05992	5.7
163.03886	9.1
163.11206	2.5
171.04453	2.8
173.02364	5.0
173.05978	3.9
175.03888	6.0
175.07593	7.9
177.01823	5.0
177.05598	2.9
178.06209	7.0
185.06039	4.1
187.03877	4.4
189.01843	8.7
189.05447	2.2
189.09143	3.6
191.03445	3.7
197.11591	2.5
203.03426	6.7
203.07065	4.7
203.10501	2.5
205.04959	2.7
205.32875	2.2
209.11656	3.5
215.03424	2.6
217.04947	2.8
218.09491	3.1
221.11757	3.3
223.13393	4.1
229.12187	2.6
229.15909	2.5
235.13188	2.3
245.08257	3.9
248.46031	2.4
253.09280	10.2
255.23306	6.6
263.12881	3.3
279.23270	4.2
283.02448	2.6
283.20667	6.8
289.07135	16.6
299.20175	7.7
309.18689	3.8
315.19574	17.9
317.21140	15.6
325.18094	6.9
327.19678	9.9
331.19321	3.3
333.20642	19.6
343.19019	13.9
345.20642	9.7
353.17780	2.9
357.20609	3.0
359.18860	2.5
361.20142	4.4
369.20691	3.0
371.18835	4.3
389.19666	3.1
563.28558	5.9
567.28491	3.2
568.21539	9.5
569.29553	5.6
579.28265	20.1
580.21448	4.8
581.29498	8.8
595.27515	15.7
596.27948	3.1
597.29156	38.3
598.21539	2.7
598.29663	6.1
605.29492	4.9
607.27563	100.0
608.27600	15.2
611.30847	6.3
619.27820	5.4
623.30640	11.8
625.28522	21.1
626.29584	3.0
637.28668	53.3
638.28766	11.6
641.32452	6.5
649.28619	28.9
650.28198	3.5
667.29675	51.2
668.29315	10.6
685.30597	56.2
686.31262	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77258	0.9
57.03318	4.2
59.01252	6.0
61.98699	3.9
69.49439	5.3
71.01255	4.3
73.02823	1.8
78.95786	1.8
80.02573	0.8
83.04866	1.0
85.02815	1.7
87.00747	2.3
89.02322	1.6
95.04913	2.2
97.06458	15.3
101.02312	4.5
113.02315	2.7
123.08053	8.7
125.09611	84.7
126.09930	2.3
145.04929	1.8
152.99504	1.4
161.04443	1.3
169.08601	2.4
187.09674	35.9
188.10031	1.4
235.08163	2.8
253.09225	3.5
255.23242	1.2
273.83810	1.0
277.21716	45.9
278.22079	3.4
279.23145	0.9
352.18460	0.8
394.53641	0.8
405.17621	5.4
423.18893	4.8
447.25302	1.0
521.34900	0.8
598.86786	0.9
683.40051	100.0
684.40363	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.2
59.01252	6.8
61.98700	1.2
69.03333	0.7
71.01260	5.4
71.51582	0.5
71.52280	0.5
72.99178	0.7
73.02805	0.9
78.95786	0.6
83.01221	0.5
83.04914	1.0
85.02853	0.7
87.00771	0.6
88.35619	0.4
89.02323	3.9
95.04910	1.1
97.06470	14.8
101.02318	3.7
103.36736	0.5
113.02339	2.2
119.03381	1.3
123.08063	7.5
125.09618	100.0
126.09961	3.5
143.10674	1.4
161.04460	1.0
169.08636	3.3
171.10193	1.6
179.05510	0.9
187.09688	80.1
188.10054	2.7
211.09619	0.8
231.59941	0.4
252.68156	0.4
253.09302	1.7
261.13458	1.5
277.21732	15.4
278.22021	1.7
293.21133	0.8
405.17676	6.2
423.12936	1.0
423.18713	18.8
424.19144	1.8
447.25217	0.7
521.34723	0.6
599.14728	0.5
683.40100	99.8
684.40442	18.9
684.49603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01259	7.0
61.98700	1.8
69.03330	5.1
70.03387	3.3
71.01263	5.3
71.04885	2.1
78.95792	1.6
81.03350	1.4
83.01284	1.2
83.04906	1.3
85.02815	1.0
87.00740	2.2
89.02310	2.5
93.76785	0.8
97.02855	1.0
97.06458	1.0
97.57507	0.7
101.02369	4.0
107.24306	0.7
111.08069	0.8
113.02333	1.1
117.74290	0.8
123.08165	0.8
125.09611	2.4
151.11150	1.9
153.01819	1.9
153.12784	1.6
154.50508	0.8
161.04469	1.0
161.09628	3.4
167.10614	1.5
169.33742	0.7
171.10173	1.7
177.12770	1.0
179.10703	9.8
179.14355	1.8
185.11920	0.9
195.13850	7.5
196.14171	0.9
197.11760	59.9
198.12088	3.2
205.12306	4.7
223.09882	1.6
223.13348	25.9
224.13641	1.6
235.08337	1.0
241.10750	3.1
253.09262	3.7
277.21637	1.1
279.23331	1.5
293.21014	1.2
338.37769	0.8
403.24792	0.8
459.18353	0.9
477.19635	2.9
683.32831	100.0
684.33221	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	681.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74483	0.3
57.03319	1.1
59.01245	0.6
61.98693	1.0
65.08843	0.3
69.03324	1.8
70.80563	0.3
71.01255	2.0
71.04876	0.6
71.10553	0.3
72.99179	0.7
73.02803	0.7
85.02821	2.1
85.06505	0.4
87.00727	0.4
89.02320	0.4
95.01242	0.9
98.20661	0.6
99.00764	1.0
99.04368	1.6
99.75004	0.3
101.02306	0.9
108.02053	50.2
108.16688	0.3
109.02880	8.4
113.02308	1.5
113.36683	0.3
116.92721	0.4
121.02830	0.9
123.00758	0.5
123.04337	0.4
133.02864	0.4
134.03630	0.7
135.04382	0.8
137.02357	0.6
141.45029	0.3
151.03909	0.9
152.01057	100.0
153.01793	5.1
161.04590	0.3
163.03931	3.2
165.01898	0.4
175.03970	0.6
177.01822	1.2
177.05475	0.4
179.03415	1.2
207.02899	0.7
251.16492	6.4
252.16809	0.3
297.06082	0.9
297.97357	0.3
315.07095	1.4
320.24939	0.4
354.33102	0.4
429.10349	11.0
430.10468	0.9
447.11502	3.8
493.14279	0.4
534.31128	0.3
681.27618	83.1
682.27887	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	683.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74746	0.7
55.77436	0.8
58.00455	2.5
59.01254	59.4
65.70941	1.0
68.41856	0.7
71.01254	40.4
71.20574	1.0
71.20895	0.8
72.99170	2.5
73.02831	1.0
82.46195	0.7
83.97791	0.7
85.02821	5.7
87.00748	3.5
87.64590	0.9
89.02320	52.8
90.02660	0.9
95.01256	2.5
98.05180	0.8
101.01700	1.4
101.02328	19.6
112.02105	0.8
113.02337	17.1
119.02572	1.4
119.03387	17.0
131.03374	3.6
137.00511	0.7
143.03380	4.4
149.04462	2.0
161.04449	5.2
179.05547	18.5
203.19362	0.7
213.16222	0.8
341.10880	100.0
342.11212	7.4
401.77808	0.9
452.27347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11665	0.1
58.02851	0.3
59.01228	0.1
71.01245	0.2
72.04427	0.2
73.74158	0.1
80.04935	0.2
81.03330	7.7
82.03664	0.3
83.04897	18.9
84.05241	0.4
98.02395	0.1
100.07546	0.4
107.06042	0.3
108.04420	0.6
125.07111	1.4
126.05485	0.4
128.62419	0.1
137.02335	0.1
143.08185	0.6
157.13380	0.2
181.17035	0.2
199.18037	0.1
207.14957	1.5
208.15404	0.2
211.04170	0.1
224.17633	2.8
225.16039	12.5
226.16370	0.6
227.03423	0.3
242.18675	0.9
243.17322	0.1
255.02924	0.5
259.02496	0.2
271.02435	0.2
283.02469	3.6
283.05588	0.2
284.02908	0.5
290.22470	0.3
296.86935	0.1
308.23410	0.2
309.21863	0.7
321.85419	0.1
324.26559	0.7
325.03427	0.3
333.22980	1.0
341.29178	1.2
342.29486	0.1
351.23880	0.2
367.27112	0.9
385.28220	0.4
403.06522	0.6
404.06876	0.1
407.33841	0.3
433.31747	1.5
434.32050	0.1
450.34482	1.7
451.32886	6.0
452.33133	0.7
476.31427	0.2
533.40546	0.1
550.43402	0.9
557.20166	0.3
559.39789	0.3
565.44525	0.2
593.44080	0.7
650.61353	0.1
659.48621	1.5
660.48755	0.2
677.49664	100.0
678.24939	0.5
678.49994	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	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38028	0.3
53.73438	0.5
55.01751	1.2
57.03319	1.0
58.00463	1.8
59.01251	32.9
60.01550	0.4
61.06522	0.5
68.60225	0.4
68.99675	0.6
69.03324	1.7
69.37923	1.4
69.38342	1.9
71.01254	32.2
72.01591	0.4
72.99169	2.4
73.02825	5.0
75.00738	0.5
80.96384	0.4
81.03331	1.8
83.01247	4.2
85.02826	7.1
85.99918	0.4
87.00755	8.4
89.02317	29.1
91.03880	0.9
95.01266	2.6
97.02266	0.4
97.02837	6.0
98.19833	0.7
99.00747	2.2
99.04436	0.4
101.02322	28.6
102.02620	0.9
109.02838	0.8
111.04413	1.1
113.02329	14.0
114.02704	0.4
115.03874	0.7
115.22768	0.4
118.04206	0.4
119.03391	9.8
121.02827	0.7
125.01434	0.8
125.02336	10.8
129.01851	0.5
131.03366	1.5
133.04948	0.9
137.02400	0.7
139.03882	0.9
141.01820	0.7
143.03412	6.5
149.04474	0.8
161.04449	6.5
167.03450	0.7
171.02861	0.6
179.05533	6.1
185.04504	0.6
199.06113	0.5
203.05522	0.6
217.07086	0.9
221.06560	2.0
235.08205	15.8
236.08594	0.5
245.06645	0.7
252.26595	0.4
253.09311	3.5
263.07727	1.6
277.09280	1.0
281.24847	100.0
282.25214	11.0
287.07678	3.9
288.08209	0.5
305.08716	4.4
323.09720	1.8
361.11600	0.6
379.12387	0.8
397.13480	85.4
398.13843	7.4
415.14563	34.7
416.14923	2.4
691.86835	0.5
702.86700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96684	2.1
59.01271	2.8
61.98701	13.2
63.95325	2.2
69.10138	2.1
69.50769	2.1
70.97329	2.2
71.01245	8.1
71.53171	2.7
73.39011	2.2
78.95778	9.9
80.96374	3.0
81.12646	2.4
116.92749	6.2
118.76846	2.5
152.99469	3.6
171.06633	2.2
176.14388	2.4
177.09131	3.7
192.11511	6.0
205.12308	3.6
207.13898	2.7
211.13376	8.5
215.75299	2.3
220.14641	44.5
221.15405	100.0
222.15741	7.5
236.10498	87.9
236.12959	3.3
237.10895	5.1
273.31851	2.1
293.17584	68.5
294.17993	6.2
295.22931	3.3
426.57440	2.5
447.21344	3.2
447.45209	2.2
455.60077	2.7
478.84964	2.3
580.63239	2.8
595.28290	2.9
677.36200	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	677.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50237	0.2
53.60707	0.2
54.78775	0.2
55.01760	1.3
57.03326	1.0
58.00476	1.7
59.01252	40.1
59.07623	0.2
60.01589	0.3
61.98711	0.2
66.92558	0.2
68.99664	0.4
69.03325	1.9
71.01253	35.6
72.01582	0.4
72.99179	2.3
73.02819	5.6
75.00743	0.9
81.03333	1.8
82.12589	0.2
83.01257	4.3
85.02824	7.8
85.99990	0.3
87.00754	8.9
87.04417	0.2
89.02317	31.0
90.02654	0.4
91.03884	0.8
93.03329	0.3
95.01264	2.6
95.04876	0.3
97.02830	6.4
99.00758	2.1
99.04413	0.6
101.02325	28.3
102.02655	0.7
103.00287	0.3
103.03881	0.3
109.02847	0.6
111.00750	0.6
111.04375	1.3
113.02332	13.6
114.02665	0.3
115.03916	0.6
116.92690	0.3
119.03391	9.2
120.03766	0.2
121.02860	0.7
123.00729	0.3
123.04427	0.2
125.02337	11.3
125.05923	0.3
126.02672	0.4
127.03888	0.6
130.05806	0.2
131.03391	1.8
133.04994	1.1
137.02344	0.4
139.03914	1.1
141.01848	0.6
141.05502	0.2
143.03394	5.1
149.02251	0.2
149.04448	1.0
157.05020	0.4
161.04466	5.9
162.04889	0.3
167.03426	0.6
169.05014	0.4
171.02919	0.4
179.05537	5.6
185.04485	0.6
197.95090	0.2
199.06119	0.4
203.05649	0.3
217.07190	1.1
219.05067	0.3
221.06590	2.1
235.08200	13.1
236.08472	0.5
242.50146	0.2
245.06682	0.5
253.09261	3.1
261.22247	0.3
263.07718	1.8
277.09109	1.0
279.23282	100.0
280.23645	9.1
287.07748	2.8
288.08289	0.2
293.24814	0.4
305.08765	3.8
323.09857	1.7
361.11478	0.7
379.12311	1.1
379.55582	0.2
397.13498	68.3
398.13818	5.0
415.14587	30.2
416.14838	2.3
677.37415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63410	0.2
55.01760	1.3
57.03323	1.3
58.00465	2.2
59.01251	41.7
60.01590	0.3
61.98696	0.2
67.01771	0.4
68.99694	0.5
69.03338	2.1
70.42855	0.5
70.43222	0.4
71.01254	36.4
72.01603	0.3
72.99175	2.8
73.02815	5.9
75.00744	1.0
76.11582	0.2
77.39258	0.2
81.03315	1.6
83.01260	4.7
83.04917	0.5
84.02042	0.3
84.39478	0.2
85.02824	7.7
86.03133	0.2
87.00749	9.0
89.02317	28.8
90.02681	0.4
91.03893	0.5
93.03351	0.3
95.01256	3.3
96.41450	0.2
97.02830	6.6
99.00769	2.1
101.02323	28.8
102.02664	0.6
103.00244	0.4
103.03925	0.6
109.02850	0.5
111.00759	0.7
111.04386	1.1
111.81573	0.2
113.02328	14.4
114.02650	0.4
115.03911	0.7
119.03389	10.0
119.04923	1.2
121.02848	0.7
123.00782	0.5
123.04426	0.5
124.01550	0.4
125.02332	11.5
126.02670	0.3
127.03913	0.3
131.03387	1.6
133.04977	1.0
139.03879	1.1
141.01807	0.5
143.03403	6.2
149.02332	0.3
149.04485	1.1
151.03969	0.3
161.04456	6.7
163.03894	1.4
167.03401	0.7
169.04951	0.5
171.02953	0.3
179.05531	5.8
181.04973	0.2
185.04472	0.8
199.05989	0.4
203.05580	0.3
212.45648	0.3
217.07098	1.2
219.05052	0.4
221.06581	2.7
235.08197	13.6
236.08560	0.5
245.06627	0.9
245.54579	0.2
253.09250	3.6
254.09412	0.3
261.22195	0.5
263.07758	1.8
277.09332	0.9
279.23279	100.0
280.23608	9.7
287.07721	2.7
288.08301	0.3
304.08652	0.2
305.08719	3.7
323.09802	1.9
361.11206	0.4
379.12491	0.9
380.12497	0.2
397.13477	75.7
398.13828	6.3
415.14551	32.0
416.14893	2.1
421.07193	0.2
677.37488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03312	1.5
58.00471	2.2
59.01251	57.9
60.01583	0.4
61.98708	0.3
66.60029	0.2
67.01785	0.3
68.99695	0.6
69.03341	2.7
71.01254	44.4
72.01582	1.0
72.99184	3.1
73.02818	8.0
75.00752	1.0
78.95795	0.3
81.03333	2.1
83.01256	4.5
83.04887	0.6
84.02042	0.2
85.02824	9.8
85.99984	0.4
87.00748	10.8
87.04398	0.5
88.01108	0.2
89.02317	37.2
90.02655	0.5
91.03897	1.2
93.03339	0.6
95.01264	3.1
95.04900	0.4
97.02834	6.7
99.00758	2.3
99.04369	0.6
101.02323	36.0
102.02679	0.6
103.00279	0.4
103.03819	0.3
109.02848	0.9
111.00775	0.6
111.04419	1.6
112.01572	0.3
113.02330	19.0
114.02682	0.3
115.03867	1.1
119.03391	11.8
121.02851	0.8
123.00800	0.6
123.04409	0.5
123.74524	0.2
124.01544	0.5
125.02339	14.5
126.02666	0.4
127.03907	0.5
131.03391	2.2
133.04984	1.3
134.44380	0.2
137.02377	0.4
138.77168	0.3
139.03934	1.1
141.01874	0.6
143.03400	8.0
144.03706	0.3
149.02364	0.3
149.04501	1.3
151.03883	0.3
157.04990	0.3
161.04463	8.1
167.03412	0.9
169.04926	0.6
171.02950	0.5
179.05533	7.9
181.05035	0.7
185.04541	0.9
189.07558	0.3
199.06044	0.7
203.05489	0.4
217.07156	1.0
219.05005	0.5
221.06572	2.6
235.08194	16.7
236.08546	0.7
245.06635	0.9
253.09230	4.0
254.09572	0.4
263.07730	1.9
275.20074	0.4
277.09366	1.1
277.21713	100.0
278.22067	10.6
287.07703	3.6
291.23343	0.6
305.08765	3.3
306.09537	0.3
323.09781	1.7
361.11386	0.7
379.12433	1.3
397.13495	84.3
398.13812	7.0
415.14557	36.3
416.14862	3.0
496.34009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03325	1.5
58.00209	0.2
58.00476	2.4
59.01251	52.7
60.01583	0.6
61.98700	0.4
66.56259	0.1
67.01765	0.4
68.99686	0.6
69.03323	2.8
70.03677	0.1
71.01254	45.4
71.04861	0.1
72.01596	0.5
72.99176	3.0
73.02818	7.7
74.03160	0.1
75.00738	1.2
78.95773	0.3
79.01748	0.2
81.03328	2.2
83.01257	4.8
83.04900	0.5
84.01581	0.2
85.02824	9.7
85.99976	0.6
87.00750	10.7
87.04382	0.4
88.01041	0.1
89.02317	36.7
90.02657	0.5
91.03864	0.9
93.03341	0.5
95.01265	3.4
95.04931	0.2
97.02830	7.4
98.03172	0.1
99.00757	2.9
99.04416	0.7
101.02322	36.1
102.02653	0.8
103.00240	0.3
103.03889	0.4
107.04912	0.2
109.02838	0.9
111.00768	0.9
111.04409	1.2
112.01530	0.3
113.02330	17.8
114.02687	0.4
115.03908	0.7
119.03389	10.8
120.03783	0.3
121.02863	0.7
123.00774	0.4
123.04420	0.4
124.01553	0.6
125.02335	15.0
126.02672	0.4
127.03902	0.6
127.07491	0.3
129.01831	0.3
131.03406	2.0
133.04945	1.0
135.04424	0.2
137.02350	0.4
139.03886	1.3
141.01848	0.8
141.05493	0.2
142.02661	0.2
143.03398	7.2
144.03784	0.2
145.04947	0.1
149.02414	0.3
149.04437	1.1
151.03862	0.2
152.99489	0.2
157.04991	0.3
159.02843	0.1
161.04462	8.1
162.04865	0.2
163.03944	0.2
167.03387	0.7
169.04991	0.5
171.02887	0.4
179.05533	7.3
181.05016	0.4
185.04483	0.7
199.06142	0.7
203.05516	0.5
217.07126	1.2
219.05020	0.6
221.06616	3.2
233.22711	0.4
235.08188	16.1
236.08617	0.7
245.06596	1.0
253.09267	3.9
254.09686	0.2
259.08212	0.3
259.20526	0.5
263.07693	2.1
264.07907	0.2
275.20126	0.6
277.09665	1.0
277.21710	100.0
278.22064	10.9
287.07684	3.3
288.08044	0.4
291.23300	0.4
305.08789	3.7
306.09061	0.3
323.09784	1.9
361.11496	0.6
379.12549	1.1
397.13483	77.7
398.13843	6.7
398.17700	0.1
398.19299	0.2
415.14563	34.2
416.14938	3.3
675.35687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
61.98693	0.6
69.28152	2.1
71.01252	3.0
72.99181	0.2
73.02805	0.6
73.39906	0.2
74.02345	0.5
80.02542	1.2
81.03322	1.1
83.01248	0.4
83.04887	5.2
84.02039	0.8
85.02821	0.6
86.02354	0.3
86.20804	0.2
87.00751	0.6
89.02322	1.7
93.03336	0.4
95.04895	0.9
96.95879	0.3
97.02815	0.3
99.00733	0.3
99.05527	0.5
101.02316	2.5
109.06506	0.3
111.00718	0.3
111.04383	0.2
113.02317	0.9
119.03386	0.5
125.02370	0.4
125.06036	0.5
125.09595	0.4
128.03426	0.9
135.08067	0.6
143.03514	0.2
143.04488	1.1
144.04796	0.3
149.09653	0.4
151.11240	0.3
157.32983	0.2
161.04471	1.0
163.11185	3.3
165.12756	2.1
169.12323	1.1
171.10185	3.6
172.10495	0.4
181.12357	0.6
183.13875	0.3
185.11748	0.8
191.10750	1.2
197.11783	0.6
199.13263	1.5
201.11296	0.7
207.10144	0.6
209.11772	100.0
210.12105	6.5
211.13353	2.4
221.11787	0.4
223.13321	0.3
225.11285	1.3
227.12846	15.8
228.13184	0.9
235.08157	2.0
235.13364	0.3
247.13446	1.5
253.09258	5.9
254.07704	0.4
272.03238	0.3
272.08795	1.0
273.09235	0.5
283.02487	1.0
310.20392	0.3
322.89255	0.3
398.53305	0.3
401.23404	0.6
407.18747	0.3
419.24252	0.8
437.25696	0.3
445.20624	0.8
463.21832	0.5
611.30127	0.4
613.14362	0.2
637.32227	1.0
655.32983	0.9
673.33551	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	673.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54558	0.2
57.03319	0.3
59.01252	7.8
59.12084	0.3
61.98699	4.2
70.85446	0.6
70.85799	0.4
75.84216	0.3
96.95868	0.7
99.04406	0.6
108.02074	0.4
109.02828	0.6
118.41476	0.4
136.05154	0.3
150.06767	0.6
151.00211	0.4
153.01909	0.3
165.01863	0.3
165.12772	1.0
171.04466	0.3
179.10699	0.4
183.04472	1.7
199.03946	0.5
207.13876	1.7
209.02362	0.3
209.11765	3.0
211.03946	2.0
215.03505	0.3
217.99249	0.3
225.14810	0.4
227.03465	4.2
227.12839	0.4
228.03737	0.4
237.01927	0.4
238.02576	0.7
239.03424	0.7
251.12813	0.7
254.02080	0.9
255.02966	6.4
256.03207	0.4
258.01709	0.6
259.02347	1.6
266.02142	0.7
267.02994	0.6
269.13916	9.0
270.14313	0.8
271.02551	2.4
272.03241	1.3
273.03928	1.8
276.19885	0.3
281.04568	0.6
282.01678	0.6
283.02463	100.0
284.02826	7.9
285.03970	2.1
296.03241	0.6
297.03925	1.6
298.01193	0.7
299.01907	0.7
301.03506	6.0
311.01990	0.3
313.03409	2.7
325.03552	4.3
326.03900	0.5
331.04596	3.2
343.04495	0.8
355.04318	0.5
367.04709	0.3
385.05560	0.6
403.06671	37.9
404.07126	3.4
421.07687	3.3
504.58398	0.3
511.36703	1.3
553.17340	2.8
554.17310	0.5
635.17413	0.3
673.21332	33.4
674.21741	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	672.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77671	3.7
71.51788	6.2
75.00740	5.1
76.02082	3.4
89.83355	4.2
109.52239	4.3
121.02869	3.7
139.09193	3.7
151.00215	7.7
156.35277	3.8
171.24487	4.5
178.97043	3.6
178.99750	3.8
191.20506	3.9
255.03015	18.6
271.02454	39.0
300.02744	78.8
301.03461	38.9
609.14594	100.0
610.14728	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	671.4014
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01249	1.7
61.98681	1.3
64.81298	0.4
69.03323	0.5
69.65470	2.4
71.01247	1.3
73.02802	0.4
77.81516	0.4
83.01276	0.7
83.04919	0.5
85.02840	1.1
87.00720	0.6
89.02289	0.5
99.00791	0.5
99.04409	0.6
101.02290	0.5
109.02923	0.5
109.06460	0.7
111.04356	0.5
113.05943	0.7
123.04450	0.5
125.09654	0.5
128.83583	0.6
128.84499	0.5
135.08032	0.5
136.05162	1.1
137.09573	0.9
137.92580	0.5
149.05959	4.7
150.06763	42.2
151.07219	2.1
155.10655	0.7
161.09636	0.7
163.07559	10.3
164.08328	6.2
165.08835	0.5
171.10210	0.5
176.08313	1.7
177.09137	0.8
178.09898	4.0
179.10695	12.5
180.11021	1.1
207.10197	1.4
209.11772	2.2
225.11317	3.0
227.12773	0.9
259.02435	0.6
283.02435	1.0
327.21826	0.6
327.25476	1.4
329.23297	5.9
334.21347	0.5
336.24442	0.5
380.48959	0.5
430.30396	0.8
431.30884	0.5
441.64261	0.5
445.32761	0.8
448.31906	8.5
449.32227	1.2
462.33511	1.5
463.34253	11.0
464.34451	1.1
472.31924	0.5
490.32886	2.2
491.33676	3.1
492.34198	0.6
508.34073	3.2
509.34747	28.6
510.35248	3.4
671.40155	100.0
672.40485	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	671.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32806	0.9
55.01756	1.6
55.69035	0.8
57.03309	1.2
59.01248	9.5
61.98706	6.1
69.03320	2.3
70.52440	1.0
70.80692	2.3
71.01252	13.8
72.99179	18.4
73.02820	4.9
81.81621	0.9
83.01263	2.1
85.02828	6.6
87.00744	3.4
89.02309	3.8
89.13699	0.8
90.98452	1.0
95.01246	1.4
96.95892	1.2
97.02811	1.4
99.00742	3.4
101.02333	6.0
108.02047	4.5
109.02861	1.0
113.02335	6.1
115.03895	1.0
124.01539	1.5
125.02254	1.2
135.04384	1.0
152.01053	10.2
153.01788	1.6
155.51003	0.9
180.17035	0.9
227.07141	0.9
255.19716	1.2
257.17603	3.0
283.02408	1.1
285.20767	5.6
303.21756	31.3
304.22119	3.3
447.26093	7.3
465.27020	26.7
466.27246	4.4
530.70764	1.0
550.46594	1.2
561.28833	1.4
579.30200	100.0
580.30530	14.7
597.31219	42.3
598.31287	5.5
671.21637	9.3
671.33142	2.1
672.22485	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	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47696	1.3
59.01246	10.1
61.98690	2.9
63.23719	1.4
65.72916	1.5
67.33097	1.4
69.03340	2.3
69.98077	1.7
71.01244	6.7
71.52814	1.6
76.32489	1.7
78.95768	2.7
79.83520	1.4
85.02821	1.7
89.02353	3.2
101.02316	5.5
113.02375	1.9
118.87881	1.5
119.53165	1.8
122.00373	1.4
128.03358	1.6
137.02341	1.8
151.11220	2.5
153.12793	1.7
161.09589	3.2
171.10182	4.6
179.10718	5.5
183.13800	5.4
185.11736	12.7
188.74344	1.6
195.13759	2.0
197.11754	78.9
198.12065	5.7
199.13234	2.0
205.12271	2.8
207.10197	3.4
209.11768	9.4
210.12051	2.3
211.13353	37.7
215.58214	1.5
223.09856	2.1
223.13312	10.1
224.13635	1.8
225.11299	3.9
227.12857	4.2
229.14493	2.3
235.08151	2.3
240.05676	1.4
241.10780	4.3
249.14810	2.0
253.09244	5.4
255.23288	1.5
477.19894	5.0
653.32190	2.2
671.32819	100.0
672.33142	22.1
698.60229	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	671.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.0
60.83421	0.7
61.03357	0.7
61.98703	3.2
70.93256	1.0
71.01263	2.0
71.52527	0.8
71.90829	0.6
72.29320	0.7
74.98983	0.8
75.00744	0.8
85.02832	1.7
86.82156	0.6
87.00750	0.8
89.02312	0.8
93.03322	0.9
96.95892	0.8
101.02332	1.5
108.02090	1.8
109.02834	1.9
114.79171	0.7
121.02800	0.7
125.02450	0.8
128.03423	0.8
137.02351	1.5
150.06749	5.5
151.03900	0.8
152.01067	1.5
163.07635	0.9
163.11188	1.0
164.08330	0.8
171.10178	1.2
179.10721	3.0
183.04469	1.4
199.03975	0.8
200.29803	0.7
207.10210	1.7
209.02333	0.9
209.11787	3.7
211.03999	2.2
225.11296	3.1
227.03467	6.5
227.12923	0.9
229.13925	0.7
238.02696	1.7
239.03603	1.3
253.09369	0.7
254.02086	0.9
255.02989	10.7
256.03296	1.2
258.01715	2.1
259.02454	2.2
266.02075	1.1
267.02985	1.0
271.02426	4.3
272.03336	4.3
283.02481	100.0
284.02798	8.5
285.03967	2.9
291.97714	0.9
296.03162	1.1
297.03931	2.1
298.01099	1.1
299.01941	1.0
301.03482	4.2
313.03503	2.2
325.03397	6.0
403.06677	16.0
404.06967	1.6
421.07742	0.9
509.22195	1.0
509.34848	9.2
510.35056	1.0
521.17981	0.8
523.20099	1.4
551.19427	6.9
552.19440	1.7
653.31775	1.5
671.23389	37.5
672.23730	10.7
672.33881	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	671.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28687	0.2
59.01232	0.6
61.98702	0.6
66.75200	0.2
69.59178	1.5
74.98961	0.3
85.97839	0.2
89.02312	0.3
108.02064	0.4
109.02838	0.8
119.60126	0.2
135.00417	0.2
137.02394	0.2
148.01476	0.2
149.02434	0.3
150.06799	0.3
151.00192	0.4
152.66048	0.2
153.01828	0.3
155.04977	0.5
159.04396	0.3
167.04938	0.3
171.04442	0.3
175.00333	0.5
175.22737	0.3
182.03732	0.2
183.04434	1.9
185.02368	0.4
187.03940	0.3
195.04446	0.2
199.03896	1.3
207.10252	0.5
208.03627	0.2
209.11842	1.0
210.03163	0.3
211.03929	3.4
212.04208	0.2
215.03438	0.4
223.04031	0.2
223.06058	0.3
225.11275	1.1
227.03462	6.6
228.03845	0.3
235.08459	0.2
237.01875	0.5
238.02780	1.0
239.03441	1.6
243.02925	0.4
253.04982	0.3
253.09534	0.3
254.02194	0.9
255.02969	9.6
256.03348	0.9
257.04578	0.2
258.01651	0.8
259.02448	2.0
266.02188	0.9
267.02872	1.1
268.03699	0.6
269.04547	0.6
271.02481	2.8
272.03241	3.3
273.03799	0.5
281.01297	0.2
281.04504	0.7
282.01627	0.7
283.02469	100.0
284.02820	7.9
285.04050	1.7
295.02582	0.3
296.03088	1.0
297.03940	1.9
298.01193	0.8
298.04254	0.3
299.01935	0.6
300.02737	0.3
301.03476	1.4
304.02399	0.3
311.01923	0.6
312.02643	0.3
313.03595	1.2
324.02744	0.4
325.03513	6.9
325.07413	0.4
326.03894	0.5
331.04727	0.4
339.05023	0.3
355.04550	0.7
385.05817	0.4
403.06677	14.4
404.07004	1.4
421.07654	0.3
485.39093	0.3
523.19885	1.9
524.20349	0.3
551.19208	7.0
552.19910	1.0
563.18994	0.3
581.20227	0.8
653.21991	0.5
671.23425	40.3
672.23718	8.1
672.34888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01251	10.2
61.98700	2.0
68.66776	0.9
70.85629	1.1
70.85951	1.5
71.01242	3.6
72.53285	0.9
72.99174	1.3
76.87942	1.0
85.02836	4.1
87.00758	2.4
89.02252	1.1
92.63952	1.1
95.01257	1.4
97.02794	1.1
99.00723	1.1
101.02329	1.2
108.02049	50.4
109.02847	7.6
123.00727	1.3
135.04456	1.4
137.09627	2.1
147.04355	1.1
151.03847	1.1
152.01057	93.3
153.01814	4.9
158.47372	0.9
161.02336	1.0
161.04425	1.3
161.09729	1.0
163.03905	4.3
167.03339	1.7
174.35509	0.9
175.02455	2.3
177.01891	1.2
179.10680	1.4
181.08612	1.3
194.47493	1.1
197.11732	2.4
225.21109	1.0
226.50758	1.0
241.10930	1.4
283.02475	2.3
315.07175	2.2
429.10455	8.8
447.11404	7.0
609.21875	2.1
627.22766	4.6
644.33429	1.1
671.21942	100.0
672.22260	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	671.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64610	0.4
56.85240	0.4
57.03328	0.8
59.01249	17.4
61.98704	0.6
67.43097	0.4
70.54110	0.8
70.54440	0.9
71.01263	1.2
71.44453	0.5
87.00756	0.4
88.98669	0.9
92.64172	0.5
150.06749	1.4
161.13292	0.6
163.11192	0.5
175.00247	0.6
179.10735	0.8
183.04454	1.5
199.03987	0.7
211.03888	2.5
223.13351	6.8
227.03424	5.2
228.03563	0.5
239.03380	1.2
254.02151	0.8
255.02968	6.8
256.03143	0.4
258.01743	1.6
259.02457	1.8
266.02142	0.7
267.02975	0.7
267.12421	2.8
271.02582	3.3
272.03186	2.2
273.04031	1.1
282.01620	1.0
283.02469	100.0
284.02798	6.8
285.03903	1.5
296.03162	1.0
297.03970	1.2
298.01190	0.8
299.01764	0.6
301.03482	4.1
311.02127	0.7
313.03537	3.1
325.03439	3.3
331.04471	1.8
343.04636	0.7
367.04660	0.5
385.05927	0.6
403.06680	36.3
404.07117	3.6
421.07727	4.5
440.94623	0.5
507.16629	1.2
509.35284	2.2
509.81842	0.6
551.15759	2.4
627.20813	1.0
653.19647	0.7
670.41071	1.7
671.19788	32.1
672.20197	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	671.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.4
59.98781	0.3
66.39700	0.3
69.39301	2.7
108.88013	0.4
137.02390	0.4
143.39366	0.3
175.00397	0.4
183.04446	1.1
191.52879	0.3
199.03905	0.7
211.03935	1.9
223.13423	2.2
227.03419	3.1
228.03760	0.3
238.02737	0.5
239.03432	0.8
246.64253	0.4
254.02167	0.5
255.02953	5.6
258.01718	1.9
259.02429	2.2
266.02005	0.4
267.02838	0.9
267.12604	0.4
268.03790	0.5
271.02478	2.5
272.03204	1.7
273.04016	2.4
282.01590	0.4
283.02472	100.0
284.02820	8.3
285.04044	1.6
296.03397	1.6
296.06519	0.3
297.04178	1.6
298.01105	0.5
301.03546	8.9
302.03854	1.1
305.38635	0.3
313.03561	1.7
323.05435	0.4
325.03568	4.1
326.04028	0.4
328.02478	0.4
331.04523	2.9
355.04697	0.4
403.06686	21.5
404.07037	2.2
421.07718	10.8
422.07980	1.0
447.14749	0.8
507.16406	1.6
508.16370	0.4
520.76196	0.4
551.15405	1.5
552.16083	0.4
611.17700	0.5
627.21112	2.9
628.21393	0.6
653.18616	1.5
671.19781	48.2
672.20123	11.0
672.31775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17471	0.6
55.01760	3.0
57.03320	2.9
58.00464	1.7
59.01252	25.2
60.75736	0.6
61.98703	3.5
69.03350	0.8
69.47285	3.8
71.01254	36.4
72.99176	2.3
73.02819	9.2
73.04166	0.7
75.00742	0.9
78.95768	0.6
83.01260	5.2
85.02824	16.9
87.00737	3.1
89.02316	10.1
93.03311	0.9
95.01274	2.6
97.02820	1.2
99.00743	4.0
101.02325	22.6
105.01818	2.7
108.02042	3.7
109.02838	1.7
111.00756	3.9
113.02336	12.4
119.03400	3.1
125.02364	0.7
129.01862	1.3
149.02348	0.6
151.03949	0.8
152.01068	4.4
153.01796	1.0
159.02882	2.1
161.04471	2.7
179.05553	0.7
211.13406	3.2
234.67456	0.6
255.02863	1.0
272.03177	1.1
283.02448	9.9
284.02954	1.3
315.81082	0.8
318.41360	0.7
345.30078	2.3
379.08252	0.8
397.13681	1.5
403.06647	2.1
479.33670	0.7
505.99704	0.7
507.35382	12.6
508.35730	1.3
639.17273	1.4
651.17621	1.4
669.21436	3.0
669.40649	100.0
670.22870	1.3
670.41058	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	669.3856
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03317	1.5
59.01254	3.2
61.98693	2.3
71.01256	3.0
71.52084	1.0
72.99176	0.5
73.96514	0.6
75.00731	0.5
83.01305	0.5
84.72701	0.5
85.02809	1.7
87.00761	0.8
88.98663	1.1
89.02332	1.3
99.04395	0.8
101.02338	1.2
108.02045	0.9
111.04446	0.7
113.02351	0.8
125.02300	0.6
128.03418	1.7
135.08058	1.0
136.05177	0.6
137.09674	0.6
143.04497	1.7
149.06004	5.4
150.06772	45.7
151.07213	1.7
152.01082	1.4
153.09132	0.8
153.16068	0.5
155.10687	0.6
157.08655	1.0
161.09561	0.8
162.06801	0.5
163.07564	9.8
164.08339	6.4
165.08791	0.5
167.03430	2.4
169.12279	0.6
171.10167	1.4
172.54483	0.5
176.08339	1.6
177.09088	1.1
178.09933	2.9
179.10696	13.6
180.11148	0.8
207.10243	0.6
209.11787	1.6
211.13434	0.7
225.11301	0.9
227.12971	0.5
272.08990	0.8
279.23074	0.7
281.21194	1.0
297.12271	0.5
306.07663	1.3
309.20718	1.0
325.23911	1.5
327.21716	6.0
443.31802	1.1
446.30356	7.8
447.30771	1.4
460.31973	0.8
461.32697	10.6
462.33115	1.5
463.34116	0.8
488.31320	1.7
489.32101	2.6
506.32407	3.3
507.33240	30.4
508.33725	4.5
669.38629	100.0
670.39087	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	667.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39313	0.7
59.01252	79.7
61.98707	3.6
71.01255	7.5
71.52768	1.2
72.99162	1.4
73.02814	2.7
81.03313	0.8
83.01276	1.3
85.02814	3.8
87.00735	1.3
88.98666	2.6
89.02312	2.2
92.21603	0.6
99.00755	1.4
101.02332	5.6
105.03352	1.3
108.02071	0.8
108.83083	0.8
111.00797	1.2
113.02328	2.1
119.03447	0.8
124.01573	1.3
125.02267	1.0
135.04430	1.1
136.01602	1.4
137.02357	5.6
139.03906	1.7
143.56157	0.9
149.05902	0.8
151.03911	4.8
159.02884	0.8
159.04405	1.1
161.02318	4.9
161.04504	0.8
161.05978	0.9
162.03108	1.1
163.03918	1.1
164.44342	0.7
169.01376	0.7
175.03873	1.4
177.05537	0.7
179.06993	0.7
181.79192	0.8
188.04779	1.1
189.05463	5.8
224.39798	0.9
235.28590	0.8
249.07590	0.9
253.68694	0.7
279.12292	0.9
283.02405	1.2
287.22287	1.4
325.07022	1.2
340.09360	1.3
355.11777	4.6
359.28238	1.2
370.14166	1.6
388.15265	2.6
402.14410	0.8
403.17661	1.5
415.14008	3.8
430.16330	3.3
445.18597	10.2
446.18961	1.9
449.27625	1.3
463.19870	1.1
475.16165	2.2
490.18304	3.6
505.20795	100.0
505.33383	2.5
506.21091	20.2
563.30237	1.2
623.32971	5.6
624.33105	1.0
667.28735	1.0
667.39056	16.1
668.39532	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	663.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.8
64.80354	0.3
72.09663	0.3
89.02271	0.4
96.95873	2.1
98.02345	0.4
98.89574	0.4
98.95477	0.7
99.00784	0.4
108.02068	0.5
109.02840	0.7
113.02276	0.4
120.08691	0.3
128.87086	0.4
147.87149	0.3
159.38539	0.3
161.02367	0.4
175.00163	0.6
183.04492	1.7
185.02319	0.6
187.03830	0.4
189.85022	0.3
199.03893	1.0
201.11073	0.5
211.03983	2.5
221.80608	0.4
223.04166	0.4
227.03470	6.1
237.01842	0.6
238.02666	1.0
239.03516	1.7
243.03069	0.5
254.02177	1.0
255.02975	10.7
256.03348	0.6
258.01688	2.1
259.02423	1.8
259.19049	0.4
266.02124	1.0
267.02963	1.3
268.03586	0.5
271.02502	3.1
272.03223	4.6
281.04520	1.1
282.01773	1.1
283.02475	100.0
284.02808	7.7
285.03894	1.9
296.03305	1.0
297.04050	1.9
298.01172	0.8
298.04227	0.4
301.03683	1.8
311.01877	0.8
313.03592	1.1
325.03552	6.3
326.03799	0.5
331.04605	0.9
355.04626	0.7
385.05505	0.6
403.06717	13.7
403.12100	0.7
404.06989	1.3
515.22876	4.0
516.23181	0.7
543.22333	11.7
544.22260	1.8
555.22137	0.7
573.22900	0.6
663.26544	49.4
664.26849	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	663.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54179	0.4
57.76814	0.4
57.94629	0.5
59.01250	3.4
61.58268	0.5
61.98705	1.7
71.01253	12.2
71.35805	0.4
71.52020	0.5
72.01588	1.1
72.99171	3.0
73.01682	0.6
73.02819	6.1
74.02343	0.9
75.00750	2.8
75.97548	0.4
78.95789	0.8
85.02835	0.8
87.00738	0.5
89.02316	1.3
99.00753	1.9
99.92459	10.3
101.02322	1.9
113.02340	0.7
113.91360	0.4
115.00250	2.3
116.03430	0.9
116.92746	100.0
116.97143	2.0
117.01829	12.2
117.02987	0.8
117.05421	0.5
117.92748	5.5
127.15141	0.4
133.01299	0.8
148.18741	0.4
154.86420	0.4
155.44771	0.5
160.18793	0.5
171.10144	0.6
180.87590	0.5
185.11781	1.2
213.50261	0.4
239.67303	0.4
241.05025	0.5
253.09198	2.4
254.09776	1.1
255.09805	1.0
269.04623	1.6
272.03241	0.6
287.05746	0.7
291.19604	2.5
292.19986	2.1
293.20486	1.2
309.20761	7.3
310.21027	8.2
311.21500	5.7
312.21954	0.5
545.29584	1.0
546.30109	1.9
547.30353	6.9
548.31012	0.7
603.24939	2.2
603.75745	1.3
645.31012	1.4
663.29932	1.3
663.78229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
63.33256	0.2
66.60111	0.2
68.24532	0.2
69.17375	2.0
71.01261	0.6
72.99154	0.3
73.02824	0.3
85.02814	0.7
87.00740	0.2
89.02323	0.5
93.03334	35.4
94.03687	0.9
96.95863	0.3
97.02836	0.2
101.02299	0.4
108.02013	0.2
109.02865	0.3
113.02334	0.5
119.03394	0.2
137.02342	100.0
138.02678	3.8
145.11530	0.2
148.05196	3.9
149.05794	0.2
152.01050	0.3
158.81860	0.2
163.07567	2.5
171.10196	0.4
247.13274	0.3
265.14478	0.2
272.03275	0.2
283.02536	0.3
287.01877	0.2
301.03519	0.2
342.19818	0.2
343.04709	0.3
350.31125	0.2
397.13934	0.3
404.51660	0.2
439.16226	0.3
499.18488	0.4
515.13257	0.2
577.18573	0.2
619.20245	2.5
620.21442	0.2
663.22595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.5
61.98704	1.4
64.97148	0.8
69.18555	6.5
69.18954	1.9
71.01249	7.3
72.01620	1.1
72.99190	1.6
73.02818	6.3
74.02338	1.5
75.00747	2.6
85.02824	1.2
89.02315	1.2
92.49531	0.7
95.20217	0.7
96.95908	1.3
99.00753	2.2
99.92461	9.8
100.92476	0.8
101.02311	1.5
108.02071	0.8
111.00744	0.8
114.20730	0.7
115.00269	1.2
116.03406	1.2
116.92744	98.6
116.97169	1.7
117.01817	14.2
117.92759	5.8
119.03408	0.7
121.81011	0.7
129.01828	1.2
130.99368	0.8
133.01309	1.1
151.16370	0.7
161.04362	0.8
171.10237	1.8
184.25658	0.7
185.11742	1.4
185.84239	0.7
188.04791	0.9
198.82916	0.7
211.13380	0.7
213.02072	0.6
214.02754	0.7
215.03407	1.6
216.04189	1.1
219.03021	0.9
227.03499	0.9
229.01416	3.7
229.14571	0.8
230.02087	1.4
231.03111	1.0
242.02130	4.1
243.02950	20.0
244.03706	7.1
253.09279	2.3
254.09872	0.8
255.03130	1.4
256.03885	1.0
257.01053	1.4
258.01660	5.3
259.02429	7.1
263.88809	0.7
269.04437	0.8
270.01682	2.7
271.02475	40.2
272.03241	100.0
273.03619	8.3
283.02435	5.2
284.03137	1.7
285.00461	2.8
285.04001	2.3
286.04718	0.9
287.02036	11.8
287.05249	0.9
288.02188	1.0
291.19662	4.0
292.19943	2.3
293.20151	1.4
298.01212	1.3
299.01959	10.3
300.02777	7.4
301.03506	6.7
304.02249	7.7
309.20642	5.3
310.21042	5.9
311.02039	1.1
311.21329	3.4
313.03525	2.5
314.04080	1.1
329.03012	1.6
330.03699	4.3
331.04401	1.1
343.04520	2.5
373.05478	1.4
419.06158	0.9
420.07047	8.6
421.07083	0.9
463.08829	2.5
543.18732	38.5
544.18933	5.9
546.29761	1.2
547.30267	2.9
573.19769	10.9
574.20081	1.5
585.20123	1.2
603.26910	0.9
603.75647	0.9
645.21625	2.1
663.22888	78.0
664.23358	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	661.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59966	0.3
57.03317	0.9
59.01252	7.4
61.98692	0.9
69.03371	0.5
71.01254	91.1
72.01599	1.3
72.99182	26.2
73.02814	1.1
74.02335	0.4
79.95600	0.4
83.01247	0.9
85.02846	1.9
87.00750	1.0
89.02319	6.6
89.02836	0.6
91.35204	0.3
95.01277	0.5
96.95892	3.2
96.99226	0.4
97.02827	0.8
97.06467	0.5
99.00764	0.8
101.02325	7.2
111.00739	0.4
111.08017	0.4
113.02328	3.3
113.09612	1.7
114.93296	0.5
115.00259	33.2
115.07551	1.0
116.00623	0.6
119.03382	1.1
123.04433	0.4
128.03479	0.4
131.03421	0.5
133.01326	25.9
134.01662	0.5
137.02386	0.6
139.11206	0.8
141.09134	0.6
143.03404	0.5
151.11237	0.6
153.12717	0.4
161.04468	2.9
161.85760	0.4
163.11194	0.5
165.12755	3.6
167.10706	0.6
167.14346	1.4
169.12286	0.4
171.10168	0.7
179.05534	0.8
181.12288	2.6
183.13803	1.0
185.11688	0.4
193.12225	1.6
193.15962	0.7
195.13823	2.0
197.11722	0.6
199.13336	0.5
211.13361	3.1
213.14928	1.1
221.15419	2.0
229.14427	1.2
235.08228	0.8
237.14740	0.8
239.12746	0.5
240.13579	0.9
241.14270	0.4
247.20648	4.0
253.09273	22.6
254.09653	0.8
263.20084	0.5
265.22028	0.4
273.18646	2.7
281.21198	1.6
289.18021	0.4
291.19666	41.5
292.20038	4.8
301.03467	0.4
309.20712	100.0
310.21054	9.0
311.22012	0.5
319.22513	0.5
343.15399	0.3
476.22479	1.2
543.27966	0.4
545.29669	58.6
546.29993	10.5
599.30945	0.9
643.29626	13.2
644.30414	2.6
661.30725	20.3
662.30823	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	661.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51346	0.7
57.03322	2.6
59.01250	7.5
61.97357	0.7
61.98682	1.5
71.01254	60.6
71.51859	0.9
72.01596	1.2
72.99180	19.1
73.02805	1.4
83.01240	1.5
83.04862	1.0
85.02814	1.6
87.00763	1.1
89.02316	3.8
95.04303	0.9
98.03677	0.8
99.00757	0.9
101.02306	5.4
110.10565	0.7
110.77816	0.7
111.08037	1.0
113.02335	2.5
114.93339	4.1
115.00256	15.5
115.03889	0.8
119.03385	1.7
127.11161	1.1
133.01295	5.5
151.11180	1.2
153.09186	1.1
153.12723	3.2
155.10580	1.1
161.04466	1.4
163.88660	0.8
167.10674	1.9
169.12247	1.6
171.10179	2.2
178.34709	0.8
179.14290	1.5
181.12273	3.9
197.11702	1.7
207.13792	2.8
209.11775	1.2
211.13295	1.6
215.12898	1.1
225.11386	1.1
227.12906	1.0
235.08154	0.9
247.20609	3.5
253.09267	18.3
258.89206	0.8
265.21512	0.8
270.64124	0.8
273.18555	2.5
291.19653	29.5
292.20010	2.2
307.19208	1.0
309.20709	100.0
310.21075	10.8
319.22736	1.7
386.32718	1.0
397.13440	0.9
463.09021	0.9
545.29675	60.1
546.29926	9.9
643.29608	12.2
644.29999	2.4
661.31329	10.0
662.31104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59282	0.5
54.10897	0.5
54.57474	0.5
57.03315	1.4
58.00422	0.5
59.01251	8.7
61.98697	0.6
62.85071	0.5
67.09907	0.6
71.01254	78.3
71.32076	1.1
72.01581	1.6
72.99179	21.8
73.02831	0.6
74.08949	0.5
74.23284	0.5
83.01234	0.7
83.04861	0.7
85.02818	2.4
87.00744	1.9
89.02309	6.2
96.95883	1.0
97.02823	0.7
99.00761	1.1
101.02326	8.0
109.06525	0.7
111.08043	1.5
112.46450	0.5
113.02303	3.3
114.93299	3.6
115.00259	15.8
119.03419	1.4
125.09622	1.3
133.01318	6.0
135.21474	0.5
137.09628	0.6
151.11147	1.3
153.09055	0.6
153.12816	3.1
155.10719	0.7
159.02800	0.8
161.04440	2.8
167.10637	1.7
169.12233	1.4
171.10143	1.3
179.14320	2.1
181.12247	2.8
197.11743	2.4
199.13499	1.3
207.13802	2.0
211.13370	1.5
213.14867	1.8
215.12849	1.1
227.12817	1.2
228.13663	1.0
229.14400	1.9
247.20638	4.1
253.09277	23.7
261.80319	0.6
265.21655	1.0
273.18549	2.3
281.21140	1.2
291.19672	30.7
292.20096	3.0
307.19162	0.6
309.20709	100.0
310.21054	9.7
311.22171	0.9
313.07959	0.6
319.22620	1.0
432.60657	0.7
485.58051	0.7
545.29681	58.3
546.30042	9.4
595.94171	0.7
643.29706	10.7
644.30011	2.1
654.28125	0.6
661.30457	10.3
662.31476	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	659.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83727	0.6
58.53719	0.6
59.01252	100.0
60.01591	1.1
71.51440	1.1
78.95779	7.1
91.16944	0.6
92.24230	0.6
101.91988	0.6
113.62701	0.6
152.99545	2.6
161.88014	0.7
255.23357	1.8
279.23328	1.8
287.26083	0.8
292.47577	0.7
380.89682	0.7
402.07886	0.7
423.25455	1.0
555.42645	0.7
659.36578	1.7
672.45996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01242	6.7
61.98693	1.5
71.01252	76.2
72.01589	1.2
72.60355	0.7
72.99181	23.4
73.02819	1.7
74.02351	1.0
83.01266	1.0
85.02819	1.6
87.00732	1.3
89.02317	5.9
95.04937	0.7
96.95890	0.6
97.02854	0.8
97.06462	1.3
97.69676	0.7
99.00727	0.9
101.02325	7.1
107.59331	0.7
113.02357	3.6
113.09594	1.6
114.93285	2.0
115.00256	29.7
115.03873	0.7
116.00604	0.8
116.03421	1.4
116.92766	0.8
118.94527	0.5
119.03392	1.2
122.18440	0.6
123.99683	0.6
133.01324	22.0
137.02403	1.0
139.11223	0.6
141.09102	1.5
143.04520	0.8
150.45277	0.7
151.11124	1.1
152.18973	0.7
161.04443	1.8
163.11176	0.7
165.12775	3.2
169.12251	1.2
171.10158	1.2
181.12288	2.4
193.12212	1.3
193.15839	0.7
195.13799	1.6
197.11761	0.9
209.11819	1.5
211.13347	4.4
212.13617	0.6
221.15460	1.9
229.14513	0.7
235.08167	0.8
240.13521	1.3
247.20558	4.0
253.06700	1.5
253.09261	22.8
254.09808	1.0
273.18619	1.6
281.21167	1.3
283.02441	3.4
287.02036	1.1
291.19669	37.2
292.19937	4.1
309.20703	100.0
310.20987	8.7
363.21625	0.9
415.23083	0.7
434.11945	0.8
458.33618	0.7
476.22559	1.3
534.23358	0.8
545.29651	63.6
546.29926	10.1
643.29620	10.4
644.30347	2.2
661.30695	18.3
662.31354	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01109	0.3
57.03317	0.3
59.01241	1.1
61.98703	1.3
68.99696	0.4
70.99448	0.4
70.99777	0.4
71.01242	0.8
78.95764	1.6
89.02306	0.5
90.98479	0.5
96.95891	9.3
96.96815	1.4
101.02301	0.6
109.02872	0.6
113.02342	0.4
114.06814	0.3
123.00774	0.5
125.02326	0.6
137.02341	1.0
138.03090	0.9
139.00285	0.3
148.01550	0.5
153.01694	0.3
153.05467	0.5
161.02336	0.8
165.01884	1.6
168.04199	0.8
175.00270	0.9
176.01070	0.8
176.04707	0.5
177.01868	0.7
179.03403	1.1
180.04181	1.1
181.04999	0.9
183.04466	1.8
185.02386	0.3
191.03493	0.6
192.04089	0.8
193.01285	0.4
193.04924	0.6
194.05730	1.1
195.04559	0.4
195.06479	1.2
199.03926	0.9
207.06586	1.3
208.03711	0.9
209.08141	1.1
210.03203	0.4
211.03951	2.6
215.03360	0.3
223.06111	2.0
227.03433	5.9
228.03888	0.3
238.02652	1.0
239.03409	1.0
243.03008	0.3
253.01430	0.5
254.02238	1.0
255.02983	8.7
256.03336	1.0
258.01593	1.4
259.02457	1.7
266.02188	0.8
267.02966	1.1
269.04623	0.4
271.02524	2.8
272.03293	3.5
273.03864	0.4
281.04614	0.4
282.01743	0.8
283.02475	100.0
284.02814	7.9
285.00812	0.3
285.03983	2.0
295.02515	0.4
296.03308	1.2
297.03946	1.8
298.01270	0.8
299.02136	0.4
299.05634	0.5
301.03531	1.8
311.01895	0.6
313.03546	1.3
324.02780	0.3
325.03528	5.7
326.03918	0.5
331.04492	0.8
355.04486	0.8
385.05530	0.5
403.06680	17.7
404.06821	1.5
421.07159	0.3
449.14398	1.2
496.33841	0.4
497.34610	0.5
511.19797	3.0
512.20160	0.4
525.16779	0.3
539.19257	8.6
540.19617	1.5
551.19299	0.5
569.20544	0.7
641.22498	0.5
659.23413	33.1
659.31549	1.4
660.23810	6.8
660.34674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.5
65.30209	0.4
71.01241	2.0
71.51169	0.5
72.67627	0.4
73.02819	0.7
81.03340	0.5
83.01260	0.8
85.02795	1.2
93.03312	0.7
94.92906	0.4
95.01247	1.3
99.00783	0.4
100.09229	0.4
101.02322	0.8
106.86867	0.4
108.02052	48.3
109.02860	15.2
112.98660	0.8
113.02336	1.0
121.02856	0.5
123.00777	0.5
123.04394	0.7
133.02847	0.6
135.04318	0.4
145.01341	1.1
151.03935	1.1
152.01057	50.2
153.01848	21.6
154.02176	0.6
163.03902	1.2
165.01808	1.4
225.03978	0.5
251.97083	0.4
277.85202	0.4
280.35776	0.4
288.99387	0.4
315.07211	100.0
316.07504	7.4
351.59985	0.5
545.01257	0.4
587.40802	0.4
587.59088	0.5
657.13177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01250	4.9
61.98707	3.0
71.01238	1.3
71.23167	1.0
75.00768	0.4
79.95608	0.6
80.96391	0.5
81.05491	0.6
83.04900	0.7
84.60991	0.5
85.02802	0.7
93.03341	0.6
96.95882	3.4
96.96835	0.8
99.04373	0.9
101.02312	1.0
115.92249	0.4
121.06519	1.1
122.03602	1.0
123.04372	0.7
127.11176	0.7
135.04425	2.4
135.08037	0.8
136.01553	0.8
136.05200	39.1
137.02356	1.1
137.05487	1.1
137.09653	0.7
140.17776	0.4
147.08057	1.4
148.05161	0.5
149.05988	7.7
150.03119	0.5
150.06775	5.3
151.03923	0.8
162.06815	2.4
163.07539	1.3
163.11238	0.6
164.08357	4.6
165.09126	16.8
166.09422	0.9
171.10149	1.0
179.07063	0.7
179.10692	0.5
182.90755	0.4
183.13803	0.9
192.87582	0.4
209.11787	10.7
210.12122	0.9
211.13354	14.2
211.15410	0.7
212.13759	0.9
227.12833	1.4
229.14346	0.7
235.08089	0.6
242.10532	1.1
253.09241	1.8
257.12939	4.1
258.13187	0.6
263.92096	0.4
265.21710	0.8
283.02579	2.2
283.22809	0.5
287.05643	0.5
301.03403	0.6
301.11942	5.3
302.12231	0.8
308.10526	0.8
323.11206	0.7
327.25418	0.4
329.23337	6.1
339.12363	0.9
355.12961	0.7
357.36234	0.5
399.14548	1.1
416.29300	0.9
429.15488	1.2
431.31610	1.5
433.33203	0.7
434.30338	3.8
435.30789	0.6
447.16690	0.5
447.22202	0.6
448.31909	0.7
449.32730	15.5
450.33115	2.5
476.31415	1.3
477.32397	3.8
494.32547	2.0
495.33032	29.1
496.33353	4.7
657.38556	100.0
658.38837	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	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53803	1.1
57.03315	3.3
59.01263	2.4
61.98703	19.1
71.51727	1.3
72.99182	1.4
75.00745	5.6
85.02831	2.4
89.02342	1.3
89.91648	1.3
93.03342	2.0
99.93457	1.2
102.94183	1.2
107.01278	1.4
109.02820	2.1
129.01833	27.1
130.02180	5.2
135.02898	6.2
137.02357	2.1
151.00322	1.9
163.00272	1.6
187.04016	2.4
195.56935	1.6
210.08746	1.4
215.11783	1.2
227.03464	21.5
228.03876	1.5
229.04997	6.7
241.05087	1.3
253.69031	1.2
255.02977	34.9
256.03351	3.8
257.04599	4.2
283.02399	3.3
284.03271	51.1
285.04016	63.0
286.04376	6.4
593.15112	100.0
594.15497	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3702
Annotation	Russelioside A
Peak:m/z	Relative Intensity
59.01235	2.6
60.21939	0.6
61.98702	5.1
69.62936	2.8
71.01249	2.4
72.99176	1.3
73.02827	0.9
83.04895	1.2
87.00743	0.9
88.98656	1.2
101.02322	1.5
107.56869	0.6
109.06464	1.2
111.04404	0.7
121.06486	2.0
122.03594	1.8
123.04449	0.6
123.08044	0.7
125.09528	0.9
135.04379	1.6
136.05199	36.6
137.02283	0.7
137.05530	1.0
145.04878	0.7
147.07965	1.2
149.05994	6.8
150.06744	6.0
162.06731	2.4
163.07558	2.2
163.11195	1.3
164.04671	0.7
164.08344	3.7
165.09120	28.7
166.09444	1.3
171.10150	2.7
179.06956	0.8
179.10678	1.5
185.11774	1.8
207.10213	2.2
209.11784	8.2
211.13289	3.0
215.52286	0.6
225.11259	2.0
227.03485	0.9
227.12811	1.0
247.13481	1.7
253.09219	1.3
265.14246	0.7
281.21188	0.9
283.02472	7.1
284.02911	1.1
291.19501	0.7
307.18719	1.0
327.21759	16.5
328.22137	1.4
339.23306	0.7
383.22412	1.6
401.23312	3.4
403.07004	0.7
419.24506	1.9
429.30042	1.4
432.28760	1.4
433.98145	0.7
447.31235	9.7
448.31305	1.5
475.30576	4.7
492.30676	2.9
493.31393	31.6
494.31528	4.9
535.33234	0.9
619.31146	0.9
637.32202	5.0
655.36975	100.0
656.37421	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	655.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03195	0.7
51.21081	0.5
55.01757	0.9
56.23471	0.5
57.03317	2.1
57.61487	0.6
58.00462	0.8
59.01252	8.0
60.99159	0.6
61.98693	2.5
69.03329	1.9
69.42386	4.0
69.72244	0.5
71.01257	13.5
72.99182	32.7
73.02821	5.1
73.04076	0.5
73.99522	0.9
75.00752	0.7
78.95782	1.2
81.03339	0.6
83.01255	2.4
85.02821	6.6
87.00750	4.9
88.98682	3.0
89.02327	4.3
91.00240	1.5
97.02810	1.5
99.00759	3.3
101.02331	7.6
110.52400	0.5
111.00776	1.0
113.02320	8.6
115.03885	1.0
116.19178	0.5
120.18172	0.5
124.01578	0.6
125.02314	2.5
125.05974	0.5
127.11167	0.6
131.03403	1.0
143.03346	0.8
143.10651	0.9
149.04504	0.7
211.13281	0.7
220.30080	0.6
241.21783	0.6
253.09227	0.8
269.21173	3.4
283.02426	1.0
285.20691	2.1
287.22290	38.7
288.22668	2.6
299.22351	0.6
327.21808	2.2
431.26416	8.0
432.26675	0.9
449.27542	37.9
450.27966	4.6
491.28580	1.2
505.26926	1.2
529.70026	0.6
545.29608	1.9
563.30719	100.0
564.31036	15.9
581.31763	43.1
582.32141	7.5
655.34174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68810	0.2
59.01235	0.8
61.98684	0.5
70.43686	0.5
76.25793	0.2
87.99425	0.2
97.02817	0.2
101.02274	0.2
109.02790	0.4
109.06509	0.3
112.92253	0.2
119.34904	0.2
129.95132	0.2
136.05186	0.6
150.06741	0.6
155.04956	0.4
157.02861	0.2
163.11163	0.2
165.09175	1.0
167.04961	0.2
171.04369	0.3
179.10713	0.2
183.04446	2.2
185.02411	0.3
185.11748	0.3
195.04494	0.3
198.03043	0.3
199.03949	0.9
207.10170	0.7
209.11789	2.9
211.03937	2.8
211.13383	1.2
212.04218	0.3
213.01932	0.2
215.03429	0.4
225.11275	0.6
226.02806	0.2
227.03444	6.5
228.03857	0.4
237.01831	0.6
238.02658	1.3
239.03442	1.6
243.02966	0.6
251.16582	0.3
253.01239	0.3
253.09225	0.4
254.02234	1.2
255.02969	9.8
256.03296	0.6
258.01691	0.9
259.02469	1.8
265.01379	0.2
266.02200	0.8
267.03006	1.1
267.90109	0.2
268.03693	0.6
269.04553	0.4
271.02509	2.6
272.03232	3.6
273.03656	0.3
280.03683	0.2
281.04602	0.5
282.01703	0.8
283.02466	100.0
284.02811	8.4
285.03992	1.5
296.03180	1.2
297.04010	2.1
298.01160	0.6
299.01929	0.6
301.03543	0.7
304.02155	0.2
311.01956	0.7
311.05261	0.2
313.03674	0.9
324.02820	0.4
325.03528	6.4
326.03827	0.4
327.21777	0.4
336.06415	0.2
336.17715	0.2
355.04510	0.7
383.22223	0.6
401.23282	0.8
403.06699	13.1
404.07147	1.1
419.24249	0.4
493.30594	0.3
493.36688	0.3
507.20273	1.7
535.19727	10.0
536.20013	1.6
547.19824	0.3
565.20844	0.5
637.22339	0.4
637.32343	1.7
655.23956	37.1
656.24286	7.5
656.34882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03336	1.6
58.00469	2.0
59.01253	42.3
60.01578	0.4
61.98701	1.3
64.59698	0.3
68.99677	0.4
69.03328	2.4
70.88641	0.3
71.01255	36.6
72.01603	0.7
72.99186	3.4
73.02818	6.3
75.00728	0.6
78.95776	0.4
81.03344	1.7
83.01254	3.5
85.02825	7.7
86.61308	0.3
87.00753	8.8
87.01278	0.5
89.02317	33.7
90.02664	0.6
91.03884	0.8
95.01260	3.1
97.02833	6.4
99.00760	1.9
99.04383	0.5
101.02323	30.9
102.02682	0.4
103.00230	0.3
106.32330	0.3
109.02843	0.5
111.04409	1.2
113.02332	16.0
115.03883	0.7
119.03389	10.3
121.02866	0.7
123.04426	0.5
124.01531	0.4
125.02340	12.9
126.02671	0.6
127.03917	0.3
131.03389	1.8
133.04980	1.0
139.03897	1.2
141.01845	0.9
143.03406	6.2
143.04420	0.3
149.02417	0.4
149.04460	1.2
149.79099	0.3
161.04460	7.2
167.03362	1.0
171.02910	0.6
179.05539	6.2
180.05765	0.4
183.88959	0.3
185.04422	0.6
199.06036	0.6
203.05518	0.4
211.13441	0.3
217.07167	1.1
219.05164	0.7
221.06602	2.8
225.36096	0.3
235.08199	13.8
236.08507	0.6
245.06561	0.5
253.09261	3.8
255.23280	100.0
256.23636	8.7
256.26361	0.3
263.07657	1.7
269.24832	0.9
277.09286	0.9
287.07706	3.8
305.08798	3.6
323.09814	1.6
351.22260	0.3
361.11227	0.9
379.12418	1.0
397.13495	85.5
398.13840	7.7
415.14575	32.0
416.14975	2.3
469.76205	0.3
524.86774	0.3
563.06128	0.3
653.27039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03318	1.2
58.00467	2.0
59.01251	40.8
60.01584	0.4
61.98709	0.3
67.01771	0.3
68.99677	0.4
69.03328	2.4
70.04089	1.1
71.01253	34.2
72.01588	0.5
72.99181	3.0
73.02820	5.5
75.00751	1.0
80.89256	0.2
81.03332	1.8
83.01258	4.5
83.04898	0.3
84.02089	0.2
85.02821	8.2
85.99989	0.5
86.03156	0.2
87.00752	8.9
87.04381	0.3
89.02316	31.5
90.02668	0.2
91.03905	0.9
93.03326	0.3
95.01273	2.6
97.02829	6.1
99.00755	2.0
99.04394	0.6
101.02320	29.4
102.02666	0.6
103.03886	0.2
109.02839	0.5
111.00766	0.5
111.04419	1.3
112.01559	0.3
113.02331	14.5
114.02699	0.3
115.03877	0.5
119.03387	9.6
121.02835	0.6
121.48290	0.2
123.04384	0.3
124.01542	0.6
125.02335	13.1
126.02616	0.2
127.03917	0.5
129.01839	0.4
131.03371	1.6
133.04947	1.0
137.02307	0.5
139.03896	1.1
141.01807	0.7
143.03407	6.5
143.04552	0.3
149.04486	1.1
156.44492	0.2
157.04898	0.2
161.04460	6.8
161.05804	0.3
162.04776	0.5
167.03452	0.7
169.04974	0.4
171.02869	0.3
179.05521	6.6
180.05971	0.3
181.04913	0.3
185.04463	0.7
189.52576	0.2
199.06053	0.7
203.05463	0.5
217.07106	1.2
217.28157	0.3
219.05055	0.6
221.06606	2.9
235.08194	13.9
236.08563	0.5
245.06638	0.8
253.09221	3.8
255.23264	100.0
256.23599	8.0
263.07712	1.5
269.24881	0.8
277.09259	0.8
278.09201	0.2
287.07745	3.0
305.08832	3.2
315.47433	0.2
323.09906	1.6
361.11337	0.5
379.12372	1.1
397.13480	80.5
398.13812	6.6
415.14560	31.1
416.14825	2.1
422.72101	0.2
440.53030	0.3
653.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1726
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
53.62198	0.4
57.03311	0.6
59.01243	1.2
69.03316	0.9
71.01254	4.1
71.51508	0.8
72.99173	1.2
73.02818	1.3
83.01258	0.6
85.02831	3.1
87.00748	0.5
93.03326	1.0
95.01264	1.0
99.00761	2.0
101.02338	1.4
107.04976	0.5
108.02052	62.8
109.02868	12.1
113.02333	1.7
118.36492	0.4
121.02842	4.5
123.00759	1.2
123.04411	0.5
125.02342	0.5
133.02856	1.1
134.03603	0.9
135.00746	0.6
135.04408	1.3
137.02388	0.6
147.04381	1.1
149.02345	22.5
150.03166	5.1
151.00273	0.8
151.03873	1.5
152.01056	100.0
153.01717	5.4
155.10361	0.6
161.02310	0.6
161.04480	1.5
163.03885	4.3
164.04695	13.2
165.05467	2.9
166.02621	0.8
167.03397	1.2
175.00285	1.2
175.02402	0.7
176.01079	1.7
177.01836	1.0
179.03369	1.0
179.07047	1.3
181.04945	0.8
190.02614	2.5
191.03426	2.5
194.02115	2.1
205.04964	2.3
207.03006	0.9
208.03554	0.6
209.04500	9.4
210.04819	0.7
223.06082	6.9
283.02548	1.0
299.02084	0.5
315.07242	1.6
334.86655	0.5
344.01785	0.5
401.02133	0.5
429.10367	11.7
430.10614	0.8
447.11423	36.5
448.11838	3.5
461.13458	0.7
513.15344	0.5
640.39215	0.5
653.17194	72.3
654.17572	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	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03314	1.1
57.60736	0.4
58.00474	1.8
59.01251	31.8
59.15318	0.4
63.45694	0.4
68.99694	0.4
69.03333	2.0
70.16321	0.4
71.01254	33.9
71.51958	0.6
72.99181	2.7
73.02811	5.5
75.00745	0.8
81.03327	1.4
83.01253	3.8
85.02824	7.5
87.00754	8.3
89.02320	26.9
91.03877	0.8
95.01227	2.3
97.02826	5.4
99.00745	1.8
99.04366	1.0
101.02322	28.4
102.02657	0.6
103.00249	0.5
109.02836	0.5
111.04398	1.5
113.02334	14.1
114.02624	0.4
114.21961	0.4
115.03923	0.7
119.03398	10.3
125.02344	11.2
127.03876	0.9
127.71307	0.4
131.03403	1.5
133.04974	0.7
139.03960	0.9
143.03407	5.7
149.04420	1.1
160.83891	0.4
161.04454	5.1
167.03419	0.9
179.05553	6.3
199.06206	0.5
203.05620	0.7
217.07079	0.9
221.06671	2.3
235.08199	13.4
236.08594	1.1
245.06592	0.9
253.09334	2.9
253.21712	100.0
254.22057	9.1
263.07660	1.3
267.23373	0.5
277.09442	0.8
287.07764	3.9
301.84506	0.4
305.08731	2.8
323.09833	1.8
361.11465	0.8
379.12418	1.2
397.13495	76.2
398.13873	7.3
400.00183	0.4
415.14581	29.2
416.14902	3.6
435.41656	0.4
679.25220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44047	0.6
58.64716	0.6
59.01234	3.4
60.99178	16.9
61.98698	2.4
61.99482	0.5
69.61467	0.7
71.01263	2.1
72.99174	1.0
78.39255	0.6
78.95776	0.6
85.02852	1.2
87.00752	2.7
88.00268	2.9
88.98677	100.0
89.02319	9.1
89.99013	1.0
92.96545	0.5
93.03349	0.9
98.20558	1.4
101.02323	1.1
108.48888	0.5
117.52213	0.6
118.72337	0.5
125.02380	0.6
153.01926	0.6
167.03514	0.5
171.10135	1.2
209.11815	1.0
269.04303	0.7
283.02286	1.8
325.20154	0.8
403.06454	0.9
421.07471	0.7
449.01254	0.7
475.71652	0.6
491.28479	1.4
561.48444	0.8
633.21558	0.7
651.32263	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	647.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01252	4.8
62.84122	0.2
70.38829	0.5
73.02821	0.6
90.70655	0.2
96.95886	0.7
116.33224	0.2
139.11177	5.6
140.11507	0.3
155.04916	0.2
163.11363	0.2
165.09155	0.3
175.00317	0.3
181.12274	2.5
182.12589	0.2
183.04425	1.4
183.08629	0.4
183.10182	5.6
185.02357	0.3
195.04410	0.2
199.03905	0.7
199.13297	1.6
210.03125	0.2
211.03941	2.0
213.01891	0.2
225.11278	0.9
227.03442	4.2
228.03802	0.2
229.04988	0.2
237.01883	0.2
238.02689	0.7
239.03429	1.1
243.12340	9.8
244.12741	0.5
253.01193	0.3
254.02228	0.9
255.02969	6.0
256.03461	0.3
258.01630	0.5
259.02414	0.8
266.02225	0.6
267.02774	0.5
271.02463	1.9
272.03238	1.1
273.04010	0.3
280.03842	0.2
281.04538	0.6
282.01675	0.6
283.02460	100.0
284.02805	7.8
285.01117	0.3
285.03992	1.5
296.03192	0.8
297.03918	1.1
298.01132	0.6
299.02072	0.5
299.05301	0.3
301.03476	0.9
311.02460	0.2
313.03528	2.1
314.03452	0.3
315.04736	0.3
324.02689	0.2
325.03476	4.1
326.03726	0.3
331.04703	0.7
343.04587	0.6
355.04440	0.5
367.04788	0.2
385.05542	0.5
403.06668	29.2
404.07007	3.3
439.13840	0.6
499.16379	0.5
527.15472	2.8
528.16095	0.4
573.90582	0.3
647.19800	27.0
648.20148	5.5
648.28137	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	645.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48072	0.2
57.03324	0.2
59.01251	7.0
71.05717	0.3
73.02827	1.2
106.11418	0.2
124.62922	0.2
133.13498	0.3
137.09599	0.4
150.03098	0.4
151.00223	0.4
153.70534	0.3
165.05508	0.3
181.08609	0.9
183.04408	1.8
185.02353	0.4
187.03943	0.2
192.48312	0.3
196.93918	0.2
197.11729	2.5
199.03914	0.6
211.03955	2.1
213.79276	0.3
226.02754	0.3
227.03426	3.8
228.03836	0.3
237.01979	0.3
238.02617	0.7
239.03418	1.3
241.10818	1.7
254.02191	0.6
255.02975	5.4
258.01724	0.4
259.02383	1.5
267.02975	0.4
269.04428	0.3
271.02527	1.4
272.03189	1.0
273.04022	1.1
281.04532	0.4
282.01688	0.5
283.02463	100.0
284.02817	7.9
285.04007	1.3
296.03333	0.7
297.04019	0.9
298.01138	0.4
301.03528	4.1
302.03784	0.6
311.02139	0.4
313.03555	1.3
325.03522	3.5
326.03815	0.5
331.04599	1.8
343.04468	0.3
355.04568	0.4
367.04843	0.3
403.06677	18.1
404.07166	1.6
421.08026	1.6
486.18506	0.3
525.13855	1.3
560.48541	0.3
601.18768	0.4
645.18213	33.2
646.18555	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	643.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98703	0.9
68.62401	0.2
69.03349	0.2
71.01260	0.8
71.52403	0.2
75.27225	0.2
78.95779	12.8
79.91442	0.2
79.95617	3.0
83.02357	0.2
85.02838	0.2
87.00761	0.4
87.60872	0.2
89.02311	0.2
96.95895	100.0
96.96817	18.8
97.02815	0.3
97.95838	0.5
98.02371	1.4
101.02322	0.5
105.61823	0.2
113.02328	0.5
113.97930	0.2
118.96514	0.3
142.29610	0.1
143.41133	0.2
153.66869	0.2
161.04430	0.2
163.11211	0.2
169.12184	0.2
171.10178	0.4
185.11742	0.3
197.11789	3.1
201.11198	1.2
209.11781	2.7
210.11969	0.3
210.99194	0.2
211.13399	0.4
223.13298	0.5
227.12839	0.6
253.09323	1.0
253.11539	0.2
291.04074	0.4
291.19681	0.5
309.20737	1.6
310.07394	0.4
335.03061	0.2
338.10434	0.6
346.13638	0.2
347.15720	0.8
351.06207	0.2
365.16467	0.2
407.17499	0.2
514.17102	0.8
545.29779	0.6
546.16455	0.6
583.24432	1.2
584.24500	0.2
643.29907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51355	0.2
59.01246	0.9
60.01242	0.2
61.53856	0.2
61.98690	0.9
62.41455	0.2
71.01244	1.0
71.52045	0.3
78.95776	11.0
79.95616	3.0
83.02367	0.2
83.04932	0.3
85.02816	0.2
86.91373	0.2
87.00710	0.3
89.02332	0.2
96.95890	100.0
96.96813	16.9
97.02787	0.2
97.95831	0.5
98.02348	1.5
101.02338	0.5
113.02300	0.2
124.64639	0.2
132.01135	0.2
163.11172	0.2
165.09091	0.3
165.12782	0.2
169.12366	0.4
171.10181	0.3
189.00777	0.2
197.11752	4.8
198.12190	0.3
199.13295	0.3
201.11275	1.6
205.12115	0.2
209.11777	3.9
210.12109	0.3
211.13350	0.8
213.11304	0.3
223.13350	1.2
227.12775	1.6
235.08113	0.3
235.13371	0.3
253.09244	1.2
291.04010	0.5
291.19656	0.6
302.07492	0.2
309.06641	0.2
309.20599	1.8
310.07358	0.4
314.24304	0.3
347.15820	0.4
351.05963	0.4
365.16464	0.3
463.11844	0.2
514.17413	0.8
545.29688	0.4
546.16278	0.7
583.24646	1.2
584.24670	0.3
637.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.2
59.01252	1.7
61.98706	2.0
69.03325	0.3
70.64564	0.1
71.01256	1.3
71.23543	0.4
73.02832	0.3
80.91560	0.2
83.04894	0.2
85.02821	0.5
87.00758	0.4
89.02313	1.0
101.02312	1.5
104.99103	0.2
109.06480	0.2
113.02323	0.9
119.03448	0.3
125.02273	0.2
143.03395	0.2
145.04990	0.2
150.80849	0.2
161.04468	0.7
165.12744	0.3
167.14354	0.4
171.10178	0.3
179.05527	0.3
181.12303	0.2
183.12167	0.3
183.13834	6.8
184.14214	0.3
185.11790	0.3
193.12247	1.8
211.13339	100.0
212.13689	6.4
225.11418	0.2
235.08214	2.1
253.09277	3.8
387.25339	0.5
405.26221	0.4
415.15164	0.2
429.21408	0.5
447.22330	4.7
448.22678	0.3
470.30203	0.2
493.25937	0.2
586.70502	0.2
623.34387	1.1
624.34393	0.2
665.28705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91693	0.5
59.01253	1.3
61.98375	1.0
61.98700	14.7
71.01264	1.5
71.52303	0.7
78.95773	10.0
79.95603	6.7
80.96402	4.2
87.00752	0.7
94.97964	1.3
96.95892	100.0
96.96814	17.2
98.02364	1.1
101.02324	0.7
112.32610	0.4
113.02367	0.5
118.36549	0.4
122.97320	0.5
125.09684	0.5
164.98564	0.6
170.16226	0.5
171.10168	0.8
197.11768	2.0
207.10272	1.0
209.11751	0.8
211.13350	11.0
212.13626	0.4
225.00734	1.8
225.11258	1.7
253.09241	0.8
289.17868	0.4
387.25482	0.7
447.21826	0.7
471.15411	4.4
472.15790	0.7
527.17761	1.1
623.33594	0.6
641.24182	1.0
652.85028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88871	0.5
59.01243	1.7
61.98701	54.4
63.72345	0.5
63.96085	0.9
69.03312	0.6
71.01253	7.5
71.52848	0.7
72.99186	1.0
73.02819	2.7
75.00744	1.2
78.91757	1.6
78.98465	5.0
79.95604	14.0
80.96391	64.6
81.03331	0.9
85.02815	3.4
87.00761	3.4
89.02283	0.7
89.71336	0.5
93.03335	0.6
94.47362	0.5
94.97961	14.0
96.95882	2.0
97.02861	1.3
97.06505	0.6
99.00690	0.7
101.02322	3.2
106.97975	2.8
113.02338	1.2
122.97454	6.3
125.02329	3.0
127.03900	0.6
134.97479	4.0
136.05161	0.7
136.98997	1.5
137.02327	2.1
138.02747	1.0
148.99031	5.2
152.98550	7.8
164.98546	11.5
171.10156	1.2
174.01566	1.0
182.99582	2.4
194.93904	0.6
195.10159	0.9
206.99651	3.5
209.11813	0.7
217.23087	0.5
225.00702	22.2
226.00999	1.1
230.18787	0.6
241.70125	0.5
243.01724	1.8
257.91016	0.6
272.03229	0.7
283.02573	1.6
299.04456	3.0
301.03448	1.0
305.72751	0.6
323.47940	0.6
341.22919	0.5
479.33990	0.7
541.19421	0.7
581.59680	0.7
641.28461	100.0
642.28973	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	641.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30234	0.5
59.01252	88.3
60.01591	1.1
61.98703	10.4
66.22344	0.4
67.90240	0.4
71.01257	1.9
73.02800	0.8
82.15879	0.5
82.30662	0.4
85.02841	0.9
94.16949	0.4
101.02332	1.2
108.02130	0.5
113.02331	0.9
133.04478	0.5
147.34064	0.4
151.03938	1.4
152.01039	0.6
155.27284	0.4
161.02356	10.3
161.04449	0.9
162.02747	0.8
166.05023	0.5
176.04710	8.7
179.03430	15.7
180.03896	0.5
191.07057	4.4
193.05110	0.4
194.05777	27.6
195.06131	1.7
209.08136	100.0
210.08444	5.9
283.02524	1.2
347.73337	0.5
381.99872	0.6
419.17096	8.2
420.17368	1.1
487.36890	0.5
598.63263	0.5
641.34131	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	641.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	9.6
60.50796	3.9
65.00189	7.6
71.01250	7.1
71.31068	8.8
72.99188	8.1
75.00759	8.8
76.82966	4.8
83.01249	7.5
95.01274	9.3
101.02313	5.1
107.01290	8.9
109.02856	9.6
111.00797	6.0
123.00759	9.1
124.01459	4.1
124.98705	5.0
125.02338	7.7
135.04419	5.3
137.02339	9.9
139.00278	13.7
139.26489	4.1
149.02374	8.4
149.99524	4.2
151.00255	30.2
152.01077	6.9
154.99765	6.6
161.02374	8.1
163.00266	4.8
166.30930	4.8
166.99707	5.5
168.00482	6.2
169.01321	9.2
171.04472	4.8
171.10278	6.4
175.03902	8.5
177.01746	4.8
177.98952	8.9
178.99751	36.5
179.03450	7.5
181.98639	5.1
187.03949	11.9
189.01857	10.4
190.02615	5.4
191.03476	5.5
193.01317	9.0
199.03879	5.9
201.01906	6.5
203.03445	16.5
205.01302	5.1
205.04903	4.6
209.00861	6.2
209.08157	8.2
213.01872	5.3
215.03430	17.1
217.01419	5.6
219.02895	6.9
225.11229	8.4
227.03468	8.3
230.02115	7.3
231.02951	12.9
232.03667	6.1
233.04478	10.7
242.02086	5.6
243.02937	23.7
245.00787	7.0
245.04588	8.0
247.02467	7.2
248.67355	5.3
255.02972	5.3
258.01691	7.7
259.02481	18.1
271.02487	44.5
272.03119	7.6
286.01141	9.0
287.01987	60.9
288.02533	8.9
289.03568	8.4
297.00607	7.6
299.01886	27.7
300.02759	14.6
301.03348	10.1
315.01474	100.0
316.01886	13.9
317.03140	4.0
332.01733	14.2
333.02509	6.8
338.26370	5.0
523.22906	5.4
597.14447	7.9
623.12463	14.0
641.13599	47.5
641.24597	7.4
642.13959	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	640.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98703	100.0
62.98402	0.3
71.01255	0.4
75.00752	0.2
78.95796	0.1
80.96406	0.3
91.53216	0.1
96.95907	0.3
101.02356	0.2
136.05225	0.3
146.65083	0.1
165.09123	0.1
166.40295	0.1
171.10249	0.1
178.22556	0.1
183.22690	0.1
253.09329	0.1
283.02484	0.6
296.56580	0.2
392.52026	0.1
479.34042	0.4
615.75537	0.1
640.26721	0.2
641.27039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
61.98702	100.0
62.98405	0.2
69.74739	0.1
71.01260	0.3
74.50038	0.1
79.95618	0.3
80.96401	0.4
89.02319	0.1
95.43530	0.1
96.95887	0.1
101.02346	0.2
109.02852	0.3
136.05193	0.3
136.41156	0.1
137.53020	0.1
150.06798	0.1
165.09180	0.3
193.05107	0.1
195.10289	0.1
209.11798	0.1
225.00694	0.2
283.02463	0.1
383.11444	0.2
479.33865	1.0
518.41406	0.1
572.98395	0.1
615.71204	0.1
641.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
57.03312	3.7
58.00478	1.2
59.01249	25.9
61.98701	10.4
65.03836	4.1
65.49870	0.8
69.65903	5.6
71.00894	1.8
71.01252	21.8
72.99178	3.7
73.02814	6.9
81.03336	1.9
83.01273	3.0
83.04898	7.0
85.02827	6.8
85.06451	1.5
87.00747	8.8
88.98676	1.9
89.02310	10.7
91.05411	1.9
95.01278	1.8
95.04911	2.1
96.83688	0.8
96.95910	1.5
97.06459	4.2
99.00745	1.4
101.02318	14.3
103.03884	1.1
107.04906	1.1
109.06464	3.6
111.00800	1.1
111.04424	1.4
111.08051	6.8
113.02335	8.9
115.54130	1.0
119.03411	2.9
119.04940	2.3
119.08594	1.0
123.08059	2.1
124.92831	0.9
125.02364	1.2
125.09612	13.2
128.03319	1.0
133.04970	1.2
133.06500	1.2
135.08084	1.1
137.09605	2.7
143.03506	1.1
145.04970	5.5
151.11247	1.0
152.99550	1.1
153.09097	1.3
161.04469	3.9
163.11179	2.2
171.10181	72.0
172.10501	2.6
179.05449	1.3
183.13844	1.8
185.10077	1.0
185.11752	2.4
187.14897	1.6
189.16394	1.3
201.12744	1.9
205.15865	4.7
207.13817	1.7
209.11781	14.8
211.13327	16.7
215.14365	10.6
216.14804	1.1
221.15416	3.6
231.13852	4.7
233.15414	38.4
234.15845	3.4
235.08217	12.5
235.13403	1.5
239.16608	1.2
247.16907	1.5
249.14926	34.0
250.15425	1.7
251.16539	2.5
253.09221	5.3
283.19183	1.0
313.25583	1.5
323.23846	1.8
331.26416	3.3
341.24811	6.5
342.25391	1.1
357.24365	2.1
359.25946	2.9
367.22803	4.2
375.25507	5.7
385.23846	31.6
386.24149	4.5
393.26578	2.2
403.24872	51.5
404.25256	3.7
407.19104	2.1
421.25891	17.0
422.26288	2.6
459.27322	1.3
485.23834	2.6
603.31506	1.1
611.34479	3.9
621.32745	100.0
622.33221	15.6
639.33893	57.7
640.34314	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	635.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37506	0.4
59.01250	1.0
60.99179	16.4
61.98696	0.8
64.47295	0.4
69.17986	3.1
69.18409	1.5
71.01247	0.6
75.00738	0.7
87.00769	1.3
88.00278	2.1
88.98679	100.0
89.02317	8.1
89.99027	1.2
114.15064	0.6
115.74146	0.6
171.10251	0.6
173.82397	0.6
287.51276	0.5
304.11209	0.5
309.20676	1.1
311.22244	1.0
397.15845	0.5
408.15396	0.5
635.32098	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	635.292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47001	0.4
59.01240	0.7
60.99176	14.3
61.98686	0.7
66.54810	0.3
67.66104	0.4
69.39365	0.6
69.39768	2.9
70.90239	0.4
71.01263	0.5
72.23703	0.4
87.00748	4.3
88.00269	2.9
88.98676	100.0
89.02316	7.0
89.99020	1.0
98.19847	0.9
122.58456	0.4
134.75433	0.4
216.51869	0.4
309.20801	1.2
311.22144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85141	1.9
58.00460	2.9
59.01250	94.9
64.76945	2.2
71.01248	77.0
71.05817	3.6
72.99187	6.7
85.02829	16.6
87.00751	3.9
89.02316	100.0
95.01251	6.0
96.95864	2.6
101.02318	40.0
113.02334	32.0
119.02579	2.9
119.03388	35.3
131.03380	3.9
137.02258	2.5
143.03381	9.7
143.04451	4.2
144.54668	2.3
149.04396	3.9
161.04468	9.2
174.77484	2.2
179.05537	36.9
221.11760	2.8
249.54543	2.0
283.02597	2.6
306.07700	3.2
316.20175	2.0
506.09341	2.1
577.28693	3.7
594.96533	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	635.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
59.65222	0.3
60.99178	15.1
61.98701	0.8
71.01250	0.8
71.31693	0.4
71.32048	0.8
73.02798	0.3
75.00734	0.5
77.83652	0.3
87.00761	1.7
88.00272	2.5
88.98681	100.0
89.02315	15.0
89.99024	0.9
96.80999	0.4
104.32721	0.3
134.19131	0.3
142.38614	0.3
148.39304	0.3
171.10118	0.4
253.09354	0.5
291.19708	0.6
298.40384	0.4
309.20767	1.4
553.88977	0.4
635.31708	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	633.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
58.00477	2.1
59.01250	39.3
61.92955	0.7
61.98689	1.3
63.47934	0.8
68.33255	0.7
69.03349	1.1
69.77847	0.7
70.08933	1.5
70.09319	2.4
71.01253	39.5
72.99190	4.5
73.02811	3.0
78.95788	0.9
83.01257	3.3
85.02805	5.6
86.02348	1.7
87.00751	49.7
87.46487	0.6
88.00281	9.4
88.35903	0.7
88.39008	0.7
88.98669	2.1
89.02316	38.3
95.01282	1.6
97.02831	0.9
97.06461	1.8
101.01698	1.5
101.02325	19.6
108.02049	3.1
109.02837	2.4
111.00777	2.5
113.02331	15.0
113.09606	1.1
115.07515	0.8
119.03397	14.3
125.02284	1.2
131.03407	1.6
141.01794	1.0
141.09114	1.6
143.03421	3.2
149.04387	1.2
152.01082	2.0
161.04439	4.1
165.12688	2.7
167.14307	1.1
171.10184	3.2
179.05542	12.2
181.12242	2.6
185.11874	0.9
193.12283	1.5
195.13786	1.8
211.13315	3.0
221.15443	2.2
224.69868	0.7
240.13675	1.0
247.20627	2.9
273.18585	1.8
281.21234	1.3
289.11899	0.8
291.19653	31.0
292.20123	2.7
309.20706	100.0
310.21048	10.1
311.22433	1.5
323.09824	2.7
333.20541	1.4
335.17001	0.9
341.06784	1.4
341.10864	24.8
342.11115	1.8
351.21909	2.2
453.25003	1.4
633.31030	22.6
634.31305	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	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
55.81517	0.8
57.03328	2.0
58.00467	1.8
59.01249	38.5
61.98705	0.8
63.83022	0.8
64.09998	0.8
66.95376	0.8
66.98745	0.7
69.95124	4.7
71.01255	35.7
72.99185	3.4
73.02803	1.2
81.03333	0.9
83.01276	2.5
85.02819	6.9
86.02362	1.3
87.00751	50.6
88.00267	6.7
88.01042	0.9
88.98675	1.1
89.02316	35.5
89.40741	0.8
95.01262	1.6
95.05001	0.8
97.02849	1.0
97.06503	1.0
99.00784	1.1
101.02324	19.4
108.02060	3.2
109.02827	2.1
109.89876	0.9
111.00765	1.5
113.02339	13.5
113.09618	1.6
115.07552	1.4
119.03381	14.7
125.02380	1.8
131.03400	1.5
135.38901	0.9
143.03435	4.2
143.04449	1.1
147.25812	0.9
149.04498	1.0
152.01089	2.1
153.01845	1.0
156.14699	1.0
161.04416	5.5
165.12770	3.0
167.14345	1.3
171.10240	2.1
172.10883	0.8
179.05510	11.4
181.12299	2.5
183.13739	1.1
211.13348	3.1
221.15329	1.4
235.90773	1.3
247.20651	3.0
273.18604	1.5
281.21396	1.3
291.19644	29.3
292.20044	2.8
309.20703	100.0
310.21109	8.6
311.22195	1.5
315.19324	0.9
323.09827	3.1
333.20950	1.5
341.10876	27.8
342.11093	2.2
345.20865	0.9
351.21756	2.0
363.21597	1.2
411.24121	1.1
471.26117	1.0
541.18170	0.8
577.77972	1.0
590.99609	0.9
633.31195	24.7
634.31592	3.9
634.41437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41845	0.4
59.01250	2.4
60.99177	15.5
61.98695	1.1
63.87470	0.4
70.97197	0.3
71.01250	1.3
72.99175	0.8
75.00739	0.4
85.02795	0.4
85.33934	0.3
87.00763	2.2
88.00275	2.8
88.98680	100.0
89.02316	13.7
89.98999	0.5
90.01853	0.4
98.20708	0.4
101.02328	1.0
113.02292	0.4
125.02320	0.4
125.09610	0.8
143.21619	0.4
163.11143	0.8
171.10178	1.9
185.11766	0.7
187.09673	0.6
203.10629	0.5
207.10327	0.5
225.11330	0.8
253.09401	0.5
289.18234	1.7
365.16061	0.7
474.93875	0.4
633.31506	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	633.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63610	0.3
59.01242	1.0
60.99178	16.8
61.98698	0.5
71.01271	0.3
71.11849	0.3
72.20224	0.3
78.95795	0.4
87.00747	2.6
88.00277	3.5
88.01101	0.4
88.98679	100.0
89.02313	22.5
89.99018	1.1
90.02673	0.4
120.60785	0.3
132.42369	0.3
171.10251	0.4
229.84215	0.3
253.09372	0.4
348.08362	0.3
377.74478	0.3
382.72559	0.3
405.08090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66468	0.6
58.02848	4.9
59.01231	2.3
61.98688	2.3
71.01256	1.8
71.51812	1.0
72.00789	0.7
74.02342	10.2
81.04462	0.9
82.02827	1.3
86.02328	3.8
86.05936	0.9
86.98954	1.3
87.00747	2.1
87.05502	3.1
90.00043	1.6
93.03316	0.8
96.95895	1.4
97.03966	1.4
99.05517	9.9
101.02295	0.9
101.07076	1.8
102.05513	1.7
109.03976	1.1
111.05488	1.2
112.03939	1.3
113.02337	0.8
113.65327	0.6
116.01653	1.3
120.01038	0.8
123.05505	1.3
125.03429	1.1
127.05036	2.3
128.03429	28.2
129.03769	0.7
135.05481	1.8
137.02307	0.9
137.07106	1.3
141.06567	2.4
143.04523	39.0
144.04886	1.0
145.06061	1.6
146.04550	3.3
153.06595	2.4
160.00653	10.2
166.09744	1.1
167.04507	2.4
167.08134	0.9
171.10162	3.0
175.02426	1.1
177.03304	3.6
179.04517	6.6
181.06184	1.3
185.05630	1.5
185.11703	1.0
186.54308	0.7
197.05620	0.9
209.11685	0.9
210.08745	5.5
225.11394	0.8
242.07819	0.9
253.09338	0.8
254.07835	8.4
272.08893	16.0
273.09177	1.1
281.49930	0.9
288.06540	7.9
301.03250	0.7
306.07632	100.0
307.07935	5.2
383.49435	0.7
439.48376	0.6
632.19733	1.2
632.30042	1.1
633.31293	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	631.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.2
67.01774	1.0
69.42104	1.4
69.42515	4.5
71.01273	1.0
72.99194	1.9
96.95853	1.6
109.02836	6.6
119.04959	1.1
121.02857	1.3
123.00761	1.1
123.04380	1.7
135.04388	1.5
136.01532	3.6
137.02344	18.2
139.03915	1.4
145.02855	1.2
146.03619	4.8
148.00320	0.9
151.00272	7.5
151.03944	2.9
152.01018	1.1
159.04419	2.8
159.63045	0.8
160.05249	6.8
161.02357	1.5
161.06003	1.9
164.01070	2.4
164.04688	3.2
165.01843	100.0
166.02629	17.5
167.03342	1.5
175.03877	1.1
175.07559	6.9
176.04756	1.4
177.01947	1.1
179.03416	14.0
179.07028	5.9
180.04195	51.5
181.04973	37.1
182.05315	1.5
187.04030	1.0
191.07021	1.0
193.08640	2.2
194.05824	2.3
195.06554	57.7
196.06877	3.1
205.04916	1.2
210.05251	10.7
211.05846	1.5
225.07635	60.3
226.07979	1.7
227.03357	1.2
255.03012	1.4
271.02151	1.3
272.03113	1.0
282.05304	6.7
283.02499	12.1
283.05313	1.7
284.02835	4.3
297.07608	8.1
301.03421	1.6
302.03952	1.2
302.26382	0.9
309.07663	2.8
312.10010	10.9
313.10446	1.8
327.08936	1.2
327.12332	26.3
328.12598	2.1
342.11008	3.7
357.13400	14.8
358.13647	1.6
359.11282	1.2
366.06473	1.1
375.14398	12.3
376.14545	1.8
387.14380	2.6
403.06592	3.6
403.13834	1.0
405.15494	7.6
553.20673	1.8
568.11859	3.1
583.20959	1.1
610.73206	1.0
631.18237	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	631.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
61.98695	2.7
63.88815	0.7
67.01753	0.7
70.99417	0.8
70.99724	1.8
71.01249	1.7
85.02825	1.1
93.03336	1.9
96.95921	1.3
108.02052	2.6
109.02851	2.5
121.02843	1.8
122.03612	1.6
123.00752	1.3
123.04372	1.8
124.01564	1.5
135.04428	3.2
136.01538	4.9
137.02338	19.4
139.03964	1.8
146.03697	1.1
146.79411	0.9
149.02379	2.4
150.03120	2.7
151.00278	3.1
151.03896	6.0
152.00981	2.1
153.01817	1.5
159.04410	0.9
160.05194	1.9
161.02374	2.9
161.06006	3.3
163.03964	1.2
164.01048	2.3
164.04747	1.1
165.01845	100.0
165.05518	3.2
166.02548	8.4
167.03329	0.8
171.04372	1.5
172.05194	4.9
173.02386	1.6
173.04425	1.5
173.05885	1.4
174.03011	0.8
175.00331	2.3
175.03944	2.5
177.01816	1.5
179.03407	22.2
180.04204	58.2
181.04958	13.3
182.05441	0.8
189.05501	11.3
190.06268	10.6
191.03377	1.6
191.37263	0.8
194.05769	3.8
195.06566	79.1
196.06845	4.0
205.04999	2.2
205.08636	2.7
206.05678	1.0
209.08118	1.1
210.05267	11.7
211.05791	1.7
221.08199	3.0
223.06099	1.3
225.07642	60.8
226.07968	3.1
253.04924	1.3
269.04459	7.9
281.04599	0.9
282.05365	2.5
283.02618	4.2
283.05325	0.9
283.09503	0.9
294.05426	1.5
296.06836	1.6
297.04269	1.4
297.07761	3.1
301.03482	1.8
309.07809	2.4
311.05664	1.5
311.09198	2.5
312.10025	1.8
324.09897	1.3
326.11615	2.6
327.08569	2.1
327.12408	7.1
342.11081	7.4
343.11450	0.9
344.09000	2.1
356.12631	5.8
357.13422	48.6
358.13876	5.1
359.11383	4.8
373.12976	1.0
386.13513	1.7
387.14511	11.1
389.08621	1.3
403.06412	1.4
459.16428	1.6
535.19928	6.5
536.20062	2.1
550.19000	0.9
565.20752	40.6
566.21198	7.0
583.21881	2.2
595.21301	1.1
613.22992	17.0
614.23224	2.4
631.20477	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	631.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50480	0.7
54.14493	0.7
56.44447	0.7
67.01744	0.8
69.83842	3.6
86.33332	0.7
91.97843	0.8
93.03371	0.9
108.02008	1.1
109.02838	2.1
123.04465	0.9
124.01563	1.1
135.04424	0.7
136.01605	1.2
137.02347	14.5
138.12634	0.7
139.03949	1.2
150.03160	2.0
151.00273	1.9
151.03865	2.1
161.05931	0.7
163.03947	0.9
164.01039	0.8
165.01846	100.0
165.05510	2.5
166.02318	5.8
167.03502	0.7
172.05215	1.0
174.03026	0.7
175.03990	0.8
179.03423	13.4
179.07079	0.7
180.04199	65.2
181.04842	6.9
189.05513	2.5
190.06306	2.4
194.05771	2.8
195.02878	2.7
195.06555	87.9
196.06839	4.1
209.08272	1.0
210.05272	15.8
211.05927	1.0
221.08156	2.7
225.07643	91.1
226.07986	6.7
266.05792	0.8
279.06638	0.7
282.05237	1.5
283.02420	2.0
294.05597	0.7
297.07666	1.6
309.07602	1.4
311.09268	2.1
312.09851	1.0
324.10022	1.4
326.11612	2.0
327.08752	1.2
327.12277	3.1
342.11011	4.7
343.11810	1.2
351.85678	0.8
356.12640	1.5
357.13443	36.3
358.13803	4.8
364.81894	0.7
387.14532	5.4
403.06775	0.8
535.19971	1.0
565.21027	2.3
583.21808	1.5
592.57452	0.9
613.22754	6.4
614.23114	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	631.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72060	1.1
55.20490	1.0
61.59030	1.0
67.98640	0.9
69.17009	2.7
69.17417	7.9
71.43713	1.0
78.61147	1.0
93.03342	2.7
109.02822	1.7
137.02344	4.0
153.01706	1.0
165.01768	1.3
175.00360	1.8
183.04488	1.7
207.68880	1.1
211.04037	2.1
227.03539	5.9
239.03404	1.5
255.03035	4.9
259.02377	1.8
271.02515	2.6
273.04056	3.2
281.04623	1.3
282.01590	1.6
283.02475	100.0
284.02841	8.0
285.04199	1.5
299.01865	2.4
301.03503	12.2
302.04092	1.5
325.03510	4.6
331.04727	4.9
351.81387	1.2
403.06689	21.5
404.06927	3.6
419.06140	1.4
421.07266	4.2
530.22546	1.1
541.09888	47.6
542.10010	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	631.203
Annotation	Cypellogin C
Peak:m/z	Relative Intensity
57.01245	0.4
59.01255	1.4
59.93655	0.4
61.98701	3.1
62.43753	0.4
64.34885	0.4
69.51062	3.4
71.01254	0.5
95.01309	0.4
96.95900	0.9
98.19804	0.9
109.02798	0.5
128.03421	0.6
155.04970	0.5
161.02541	0.5
165.12799	2.5
183.04456	2.0
183.13834	8.0
185.02376	0.7
199.03906	0.7
211.03917	2.6
227.03419	4.7
227.12849	6.6
228.13193	0.6
238.02612	0.8
239.03479	1.2
243.02890	0.4
254.02289	0.6
255.02975	7.2
258.01773	1.1
259.02432	1.9
266.02393	0.6
267.02829	0.7
271.02386	3.4
272.03275	2.2
273.03976	0.9
281.04614	0.8
282.01724	0.7
283.02463	100.0
284.02798	7.7
285.03922	1.8
296.03290	1.1
297.03946	1.0
298.01245	0.9
299.01846	0.6
301.03424	2.3
306.07532	0.9
307.07855	0.8
313.03580	3.2
315.05026	0.6
325.03452	4.9
331.04565	1.6
343.04486	0.5
355.04422	0.6
379.03833	0.4
385.05652	0.8
403.06689	32.2
404.07120	3.6
439.17395	0.6
465.15521	0.7
483.16504	0.9
511.16132	6.3
512.16217	1.2
541.16742	0.7
613.19269	1.0
631.20166	30.1
632.20685	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	630.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	6.1
59.01248	1.7
61.98699	7.2
69.29459	1.2
69.29855	5.0
70.02850	0.6
71.01243	1.5
72.00773	1.2
74.02342	12.9
78.95773	0.9
81.56113	0.5
82.02841	1.4
86.02354	4.8
86.05962	0.8
86.98453	0.6
86.98969	0.8
87.05489	2.8
88.03910	1.0
90.00074	1.9
96.04399	0.6
96.95870	2.1
96.96867	0.8
97.03942	1.5
98.02328	0.6
99.05522	8.7
101.07076	1.7
102.05494	1.0
107.06032	0.6
109.03987	0.6
109.45422	0.6
111.05589	0.8
112.03889	0.7
113.02267	0.6
116.01625	1.0
118.17300	0.7
123.05518	1.4
124.03923	1.5
125.03514	1.3
127.05019	1.8
128.03427	31.7
131.04538	1.0
135.05516	2.3
137.07053	0.7
141.06593	2.8
143.04524	40.7
144.04826	1.2
145.06091	2.0
146.03438	0.7
146.04462	3.6
153.06606	4.1
160.00648	13.4
166.09753	1.8
167.04549	2.7
167.08112	2.0
171.03908	0.8
177.03278	3.3
179.04533	8.7
181.06155	1.1
184.10805	1.0
185.05649	1.5
192.07707	1.1
197.05602	1.8
198.08725	0.7
209.11821	0.9
210.08780	8.0
231.04440	0.7
242.07770	1.0
254.07791	10.0
255.08095	0.9
271.02493	0.8
272.03656	0.7
272.08899	15.7
273.09067	0.9
274.39917	0.6
283.02411	8.3
284.02811	1.1
288.06610	7.0
289.06744	0.8
306.07648	100.0
307.08008	6.3
403.06824	2.3
620.23950	0.7
630.18707	0.7
630.28076	2.0
631.20239	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	629.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61384	0.9
59.01253	1.4
61.98704	3.4
65.91999	1.0
68.99689	19.2
69.30081	2.7
69.30501	4.7
71.01256	2.6
72.99158	0.9
72.99599	0.7
75.00753	0.9
80.96394	3.7
81.74233	0.9
82.81589	0.9
82.95972	2.8
85.18025	1.0
89.02332	0.9
93.03372	1.0
94.97982	1.2
95.01287	2.5
101.02295	1.0
105.03319	1.5
108.02064	3.4
109.02857	4.4
110.00016	1.0
121.02831	4.1
123.00765	14.1
123.04398	2.1
124.01559	3.8
125.02338	10.5
136.01566	3.6
137.02365	7.3
138.03133	28.3
139.00218	1.2
139.03932	8.2
145.02826	0.9
147.00838	1.6
148.01556	1.4
149.02350	3.9
150.03123	1.7
151.00279	3.4
151.03940	7.2
153.01875	11.2
153.05487	40.5
154.05878	1.8
158.03696	1.1
160.01572	2.4
161.02348	1.7
161.06007	1.8
162.03127	1.6
163.00237	3.9
163.03908	1.7
165.01848	12.1
165.05458	1.6
166.02652	6.3
168.04202	40.3
169.04530	2.1
173.05968	1.6
174.03145	0.9
175.00301	11.6
175.03922	1.7
176.01089	27.4
177.01863	20.7
177.05437	3.5
178.02646	12.5
179.03374	4.1
180.04189	6.3
181.05026	9.0
183.06625	1.0
186.82639	0.8
189.05540	2.3
190.02658	3.1
190.06310	1.2
191.03442	32.4
192.04234	40.2
193.01376	26.9
193.04984	18.5
194.01877	2.0
194.05695	1.3
195.06555	3.9
197.04523	1.3
205.05014	3.3
206.05768	1.7
207.06581	52.6
208.03723	46.5
208.06938	2.7
209.04376	7.1
210.05231	0.9
221.08105	2.6
223.06081	100.0
224.06538	6.0
225.07623	3.9
227.00290	1.1
238.04752	2.8
251.09363	0.9
258.01807	0.9
272.03174	1.3
281.04517	1.1
281.29001	0.8
282.05286	2.7
283.02493	5.3
285.03955	1.2
294.05399	1.4
296.07159	1.0
296.10522	0.9
297.07675	4.6
298.01212	1.1
306.07733	1.0
309.07648	2.2
311.09396	3.9
312.06567	1.5
312.10004	3.1
326.11575	3.2
327.08969	1.5
327.12402	7.9
342.11014	6.5
347.11447	1.3
356.12433	1.4
357.13419	17.4
358.13599	1.1
377.12512	3.0
387.14502	3.2
403.06775	2.7
403.14130	1.0
505.17270	4.1
505.49390	0.9
581.20319	7.1
582.20996	1.7
593.20245	2.8
601.10974	1.0
611.21338	95.1
612.21655	20.5
629.26910	8.8
630.22229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59641	0.2
57.96217	0.2
59.01245	0.6
61.98699	2.8
67.64684	0.3
70.39233	0.8
71.01241	1.1
73.02809	0.5
78.95770	0.3
78.98447	0.7
79.95583	1.2
80.96389	6.9
85.02763	0.4
94.97974	1.7
96.95878	0.3
101.02321	0.3
105.01823	0.4
108.02087	0.3
109.02813	0.6
122.97443	0.6
125.02291	0.4
133.16194	0.2
134.97479	0.4
137.02304	0.3
148.99017	0.5
151.00285	0.3
151.03865	0.2
152.98508	0.8
155.04947	0.6
161.02254	0.4
163.11232	0.3
164.98570	1.3
171.04317	0.3
171.10182	0.5
175.00252	0.4
179.03394	0.8
181.12204	1.9
182.99582	0.3
183.04417	2.0
194.05800	0.9
195.06584	0.4
199.04024	0.5
206.99648	0.5
209.08127	2.0
211.03931	2.9
215.03357	0.4
225.00636	2.5
225.11276	7.0
226.02742	0.3
226.11633	0.7
226.15811	0.3
227.03442	5.5
228.03891	0.3
237.01790	0.3
238.02637	0.7
239.03438	1.2
240.03975	0.3
241.69061	0.3
243.02898	0.3
254.02144	0.8
255.02968	7.5
256.03384	0.6
258.01654	0.9
259.02472	1.3
266.02121	0.6
267.02960	1.0
268.03610	0.4
269.04367	0.5
271.02441	2.2
272.03244	2.4
273.03961	1.2
281.04517	0.6
282.01730	0.8
283.02463	100.0
284.02835	8.2
285.04007	1.7
285.06744	0.3
296.03293	0.7
297.03986	1.5
298.01019	0.8
299.04660	0.4
301.03485	5.0
302.03802	0.5
311.01901	0.4
313.03452	2.1
325.03522	4.0
326.03500	0.3
328.44824	0.3
331.04584	2.3
343.04559	0.6
355.04495	0.3
367.04398	0.4
385.05786	0.5
403.06677	35.2
404.07013	4.0
421.07697	3.0
422.07797	0.3
459.11740	0.3
481.14987	0.6
509.14566	4.1
510.07294	0.3
510.14883	0.8
512.02490	0.3
520.21283	0.3
522.49652	0.3
629.18707	19.3
629.28558	11.9
630.19080	4.0
630.28876	1.5
648.19421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1877
Annotation	Cypellogin A
Peak:m/z	Relative Intensity
61.73464	0.2
61.98702	1.5
70.85566	0.5
75.09933	0.2
80.96374	1.0
85.40218	0.2
87.00723	0.3
94.97938	0.4
135.04424	0.2
137.02338	0.3
151.00267	0.3
155.04892	0.4
157.02928	0.2
163.11203	0.5
165.01868	0.3
167.03490	0.3
167.04871	0.3
171.04413	0.3
174.01436	0.2
175.00339	0.4
180.99974	0.2
181.12285	1.2
183.04437	2.0
185.02339	0.4
199.03972	1.1
209.02419	0.4
211.03940	2.9
213.01872	0.3
225.00714	0.2
225.11266	6.8
226.02719	0.2
226.11580	0.5
227.03444	5.9
228.03819	0.5
237.01837	0.4
238.02574	1.0
239.03459	1.7
243.02988	0.3
253.01419	0.3
254.02158	0.8
255.00256	0.4
255.02959	7.6
256.03296	0.6
258.01651	0.5
259.02338	1.5
265.01395	0.3
266.02173	0.8
267.02927	0.9
268.03702	0.4
269.04529	0.3
271.02484	2.9
272.03162	2.1
273.03894	0.4
281.04510	0.7
282.01672	0.8
283.02460	100.0
284.02820	7.9
285.04010	1.5
295.02579	0.3
296.03088	1.1
297.04044	1.5
298.01312	0.4
299.02075	0.4
301.03497	1.2
311.01965	0.5
312.02643	0.2
313.03531	2.1
324.02701	0.3
325.03491	4.9
326.03751	0.3
331.04468	0.7
343.04520	0.5
355.04572	0.6
385.05649	0.3
403.06686	33.1
404.07043	3.1
437.16400	0.3
481.15076	1.3
482.15036	0.3
509.14572	4.7
510.14920	1.1
539.15503	0.3
611.18439	0.4
612.17426	0.3
617.33954	0.2
629.18726	21.6
629.27997	1.6
630.19031	3.7
630.28967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	7.9
59.01237	1.0
61.98706	6.3
66.03336	0.7
67.25718	0.6
70.02856	0.9
71.01257	1.3
71.07484	0.7
71.07817	1.0
72.00784	1.4
73.01047	1.0
74.02345	19.0
78.95770	2.0
80.91573	4.6
80.96400	1.7
81.04464	1.4
82.02838	2.4
82.95287	4.2
83.02384	12.6
84.04401	0.7
85.02860	0.7
85.03931	0.7
85.40302	0.6
86.02338	6.3
86.05978	1.0
86.98978	2.1
87.05512	4.3
90.00054	1.5
97.02853	1.4
97.03941	2.4
99.05516	17.0
100.00330	0.7
100.03892	0.7
101.02316	0.9
101.07088	2.9
102.05488	2.3
109.03947	2.3
109.07631	0.8
109.93063	0.6
111.05543	1.2
112.03922	2.6
113.03477	0.9
116.01636	1.0
120.01103	0.9
123.05525	2.1
124.03931	1.1
125.03435	2.9
126.01871	0.8
127.05020	2.5
128.03430	46.3
129.03789	1.6
129.99590	1.0
135.05536	4.9
137.07123	0.9
141.06627	3.0
143.04529	58.1
144.04863	1.8
145.06094	1.9
146.04498	5.7
152.99519	0.7
153.06583	4.7
160.00647	18.6
163.69623	0.6
166.09773	2.1
167.04530	4.7
167.08168	2.0
171.07803	0.8
171.10178	0.9
177.03320	5.7
179.04539	14.7
180.04819	0.7
181.06125	1.6
184.10936	0.9
185.05614	2.0
192.07698	1.3
197.05612	2.3
198.08798	1.0
210.08818	10.4
211.01921	0.7
211.13313	0.8
213.03360	0.9
221.51619	0.6
228.09859	1.2
242.07722	1.3
248.21448	0.7
253.09233	1.7
254.05151	1.1
254.07797	21.6
255.08096	1.3
262.11789	1.9
263.12424	1.1
272.08875	31.8
273.09149	2.5
288.06570	12.9
289.06586	0.9
291.19360	0.8
292.19962	1.0
306.07654	100.0
306.46799	0.7
307.07907	8.6
307.28360	0.6
308.07462	1.2
309.20703	2.8
310.20938	3.0
331.18842	3.2
332.19208	5.4
391.64368	0.7
546.29950	2.7
628.29279	1.9
629.29266	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	627.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.9
57.03305	1.3
59.01249	36.9
61.98704	4.5
65.46732	0.7
68.79455	0.7
71.01250	19.1
71.23445	1.2
72.99170	1.8
73.02814	7.6
75.00727	1.1
79.42822	0.7
83.01256	4.2
85.02824	10.0
85.99967	1.1
87.00753	1.9
89.02314	3.3
95.01247	2.2
96.95863	0.9
97.02805	1.1
99.00741	4.1
100.74210	0.8
101.02322	20.2
103.98280	0.9
109.02878	0.9
111.00789	4.8
113.02327	8.0
125.02306	1.3
129.01843	1.1
133.06532	1.2
137.02336	1.9
159.02875	1.5
161.04492	2.0
167.03415	1.2
184.28534	0.7
229.14554	1.0
243.19562	1.4
283.02499	2.9
284.02570	1.0
285.03525	0.9
356.42014	0.8
357.69623	0.7
369.09549	0.9
371.71362	0.7
381.02887	0.8
405.25061	3.1
406.77579	0.8
443.98212	0.7
560.76575	0.8
567.30280	9.3
571.79315	0.8
609.31506	3.6
627.32324	100.0
628.32745	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	627.2693
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
59.01253	1.9
60.86554	0.4
61.98698	3.4
63.96118	0.6
69.21960	0.4
69.78597	0.7
69.78912	2.7
70.81689	0.4
71.01251	6.9
72.99165	0.5
73.02823	1.4
78.98466	4.8
79.05563	0.4
79.95609	13.5
80.96392	58.5
81.03333	1.2
83.01237	0.8
85.02816	2.2
87.00741	2.5
91.33081	0.4
94.97962	12.7
94.98579	0.7
95.32205	0.4
96.95879	1.0
97.02846	1.8
99.00786	0.6
101.02316	3.0
106.97985	2.6
113.02321	0.8
115.03883	0.5
121.02847	0.6
122.97466	5.1
125.02351	2.6
127.03931	0.9
134.97476	4.7
136.99033	1.7
145.02954	0.4
148.99074	4.8
152.98538	7.2
153.01880	0.4
164.98555	10.5
165.98843	0.4
167.00005	0.5
171.10239	0.7
182.99646	2.4
183.13849	0.5
188.98488	0.4
206.99603	3.0
211.13403	1.0
225.00705	20.2
226.01022	0.6
229.14436	0.6
243.01872	1.9
255.03085	0.7
283.02438	6.3
284.02869	1.1
299.04550	2.5
327.21698	0.7
403.06750	1.2
455.83630	0.5
471.15280	1.0
515.64136	0.5
627.26886	100.0
628.27179	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	627.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	2.0
53.58632	2.1
55.61350	2.3
59.01252	64.3
61.98698	3.0
64.29150	2.4
70.99875	5.3
71.00205	2.2
71.01270	4.8
87.00751	2.4
89.02317	4.2
93.03348	3.9
94.32589	2.7
98.70446	2.6
101.02331	2.7
119.03456	2.7
121.02805	2.8
122.03638	4.7
149.02348	17.8
150.03127	52.9
161.02344	6.6
164.04736	5.2
165.05484	71.2
176.04753	4.6
179.03416	10.8
180.04228	5.1
181.79443	2.7
185.11752	5.1
194.05788	13.2
195.06561	100.0
196.06967	4.2
209.08134	42.6
215.36636	2.2
229.14409	27.3
283.02301	3.0
342.11075	4.8
357.13428	44.9
358.13687	3.0
368.01758	2.3
369.09686	4.5
397.13943	3.4
405.15506	28.4
415.14685	4.4
463.28558	2.9
627.24902	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	627.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51847	1.7
59.01255	34.5
61.98705	5.1
71.01280	2.6
71.50725	3.4
93.03343	2.7
122.03610	5.8
135.04376	3.7
137.02332	4.9
149.02377	10.9
150.03122	46.5
151.03569	2.1
161.02328	3.9
164.04684	2.2
165.05478	72.9
165.98976	2.6
166.05788	5.0
176.04715	4.5
179.03416	8.4
180.04153	3.7
191.07083	2.6
194.05760	12.3
195.06561	100.0
196.05107	2.0
196.06856	3.1
209.08139	45.7
227.03358	3.1
228.03743	2.2
255.02814	3.9
271.02454	4.0
272.02713	2.4
273.03168	2.9
283.02438	29.0
284.02859	32.3
284.84006	1.9
299.01978	9.5
300.02484	2.2
317.02563	4.4
318.02817	4.8
369.09683	7.4
375.15424	2.8
403.06720	6.2
404.06995	10.0
405.15491	5.6
419.06055	5.0
546.61676	1.9
583.12909	14.6
584.13141	2.6
627.15033	14.5
649.29559	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.51076	1.3
69.51508	1.5
73.02813	0.9
100.23376	0.4
114.04005	0.4
116.64336	0.4
118.82709	0.4
135.59512	0.4
261.38705	0.4
437.12680	1.1
438.13397	1.9
450.13214	0.7
451.13968	1.6
452.14801	4.4
453.15128	1.4
465.16086	0.9
466.16681	1.0
469.11389	0.4
480.13574	0.9
481.15002	8.4
482.15280	2.1
484.13687	1.0
493.15381	1.8
495.16751	18.3
496.17105	4.2
498.15417	0.4
508.18265	2.3
509.18018	1.8
512.13678	1.4
521.14587	0.8
523.16382	0.8
523.19379	0.8
526.14899	0.6
533.18274	0.7
535.16193	2.8
536.16791	3.1
537.17151	0.6
540.16681	3.7
545.99518	0.5
551.19397	40.5
552.19617	13.2
553.17621	1.0
554.17328	1.3
555.18665	1.7
568.15973	0.9
572.15680	2.9
573.15210	0.6
583.21765	0.6
586.17120	2.1
587.17328	0.6
595.09485	0.8
595.18280	9.8
596.18671	2.4
627.20898	100.0
628.21167	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04450	0.4
53.32912	0.5
59.01238	1.5
61.98704	40.1
69.90800	0.7
69.91215	1.8
71.01246	1.5
72.19050	0.4
75.00760	0.5
78.95763	0.7
79.95593	1.3
80.96390	5.0
85.02827	0.6
87.00742	0.7
88.19424	0.4
94.97988	1.1
101.02341	0.4
103.00235	0.5
109.02864	0.5
124.26354	0.4
125.02345	0.8
134.97476	0.4
137.02245	0.5
148.99066	0.5
164.98582	0.8
175.00327	0.4
179.10704	2.1
183.04428	1.2
185.02274	0.4
199.03978	0.9
211.03905	2.5
225.00645	2.3
227.03465	5.3
228.03839	0.5
238.02647	0.9
239.03423	1.2
253.01514	0.5
254.02097	0.5
255.02986	7.5
256.03284	0.8
258.01700	0.9
259.02380	1.2
265.01462	0.5
266.02277	1.0
268.03772	0.6
269.04550	0.5
271.02435	2.1
272.03271	1.8
273.04056	1.3
282.01743	1.1
283.02478	100.0
284.02820	8.1
285.04050	1.3
296.03174	0.5
297.04019	1.3
301.03546	4.2
313.03638	1.6
325.03473	4.0
331.04761	1.5
355.04431	0.6
403.06689	25.4
404.02509	0.5
404.07001	2.5
421.07715	4.9
463.13934	1.1
507.12842	2.5
508.13364	0.6
583.18097	1.7
609.16370	1.3
627.17181	22.7
627.26971	10.0
628.17462	5.1
628.27094	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	627.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57520	0.4
57.43986	0.4
59.01271	1.6
59.33232	0.3
61.98721	0.6
62.71989	0.4
63.06429	0.4
69.18972	0.4
69.22644	1.1
69.23063	3.4
71.01279	0.9
72.99209	0.5
75.00771	0.8
78.89168	0.4
80.39277	0.4
87.00784	1.4
88.98703	1.2
89.02330	1.0
93.03386	1.2
98.19797	0.8
101.02345	0.6
108.02080	1.6
109.02896	1.2
121.02885	1.1
133.02852	0.5
137.02374	1.5
149.02348	4.1
151.00296	0.6
152.01088	2.2
159.04413	0.6
161.02330	0.8
164.04721	3.4
167.03366	0.5
175.00316	0.6
179.03432	0.6
179.07082	1.2
183.04408	2.5
183.11208	0.5
187.03786	0.6
193.05025	0.4
194.05769	0.6
199.03893	1.0
209.08188	1.8
211.03908	3.3
217.01154	0.4
223.05991	1.0
227.03424	6.5
229.04999	0.9
238.02751	1.3
239.03380	1.9
253.01668	0.5
254.02194	1.4
255.02945	9.5
258.01685	1.3
259.02383	3.3
266.02176	0.9
267.02972	1.8
271.02420	4.7
272.03082	2.1
273.04004	6.1
282.01633	0.9
283.02466	100.0
284.02847	9.1
285.03989	2.6
289.07138	0.6
295.02298	0.5
296.03265	2.3
297.04010	1.9
299.02017	0.6
301.03525	18.1
302.03751	1.4
311.01917	0.7
313.03607	3.0
324.02460	0.5
325.03488	4.1
326.04059	0.7
331.04565	8.2
343.04636	0.8
343.25684	0.4
358.34915	0.4
403.06699	17.6
404.06854	1.9
411.16257	0.5
421.07773	14.5
422.07941	1.9
433.05978	0.7
445.07498	1.2
449.08264	0.5
463.10373	5.7
507.09152	4.6
508.09253	0.7
583.14502	7.8
584.14563	1.2
589.42029	0.5
609.12311	1.2
627.13263	23.8
627.32104	1.1
628.13647	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	626.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45392	0.1
58.99566	0.1
59.01242	0.8
61.98702	100.0
62.98397	0.2
71.01255	0.7
71.52158	0.1
78.98466	0.2
79.95595	0.3
80.65776	0.1
80.96387	1.0
87.00772	0.2
89.02354	0.2
90.02741	0.1
94.97935	0.2
101.02312	0.3
138.43298	0.1
162.03094	0.2
225.00679	0.4
283.02484	1.2
301.03595	0.3
342.59537	0.1
365.08408	0.1
403.06686	0.2
624.04047	0.1
626.25708	0.2
626.35046	0.6
627.17499	0.2
627.26941	1.9
627.36340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.5
59.01257	25.8
59.14553	1.1
61.98705	100.0
71.01254	8.2
71.52186	1.2
72.99168	1.3
73.02808	2.5
77.98742	1.1
78.79493	1.1
78.95767	4.5
79.55038	1.1
79.95596	1.3
80.96390	4.6
83.01257	1.7
85.02823	3.1
86.55450	1.0
87.00751	2.4
89.02305	3.7
91.03874	1.9
94.15142	1.1
95.01250	1.6
97.02793	1.2
99.00739	1.1
101.02321	3.9
113.02314	1.9
119.04787	1.0
119.93059	1.1
124.94131	1.0
125.02362	2.3
128.03418	1.7
135.04398	2.2
141.01764	1.2
150.03119	2.7
151.00255	3.2
153.01839	1.1
155.95583	1.1
165.05438	2.2
195.06523	2.1
197.11777	1.3
199.13303	3.7
209.11797	1.3
219.88692	1.1
224.22653	1.2
227.12814	9.5
257.08237	2.9
269.21368	1.4
272.02847	1.1
283.02466	4.6
287.05679	1.5
287.22351	8.3
383.01077	1.3
397.13330	3.9
413.25610	3.2
413.32193	1.1
415.14395	2.2
431.26535	24.3
432.26642	2.5
449.27689	8.5
473.27341	3.5
491.28571	8.3
552.29163	2.0
625.25958	12.4
626.26813	3.1
633.18896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	7.5
59.01228	0.7
61.98691	3.7
66.03352	0.9
70.02851	1.2
70.85760	0.5
71.52506	0.7
72.00769	1.2
72.53096	0.5
73.45628	0.6
74.02345	16.2
74.28266	0.6
78.95785	0.8
81.04439	1.8
82.02837	2.1
82.95299	0.6
84.04429	0.8
86.02352	6.3
86.05975	0.9
86.98969	1.5
87.05510	3.7
88.03906	0.6
90.00050	2.0
94.59647	0.6
97.03935	1.9
99.05517	13.0
101.07094	1.9
102.05485	2.7
105.59751	0.8
107.06048	1.0
109.03950	1.8
109.07585	1.0
111.05521	1.3
112.03920	2.1
116.01665	1.3
120.01160	1.2
123.05557	1.2
125.03432	1.9
126.01936	0.6
127.04995	2.5
128.03429	38.6
131.04567	0.8
135.05518	3.8
137.07024	1.2
141.06560	3.1
143.04527	51.1
144.04904	1.3
144.48975	0.6
145.06082	2.3
146.04480	5.0
152.91446	0.6
153.06589	2.9
155.08192	0.6
159.23654	0.6
160.00658	18.0
165.12683	0.6
166.09796	1.6
167.04524	4.3
167.08173	1.7
170.03165	0.8
171.07675	1.1
177.03299	5.8
179.04549	11.1
181.06065	1.5
185.05585	1.8
197.05647	1.8
197.11765	1.7
198.08751	0.7
209.11740	2.3
210.08817	10.3
210.12071	1.1
228.09863	0.8
242.07890	1.1
254.07791	16.1
255.08223	0.9
272.08875	27.3
273.09094	1.5
288.06604	10.0
301.03619	0.7
306.07651	100.0
307.07901	5.6
626.32043	1.2
627.27655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
59.01252	71.4
61.98706	3.5
65.64407	0.9
69.03315	2.0
71.01252	17.0
72.99179	3.0
73.02819	3.8
79.95595	1.1
83.01264	2.5
83.04862	1.3
85.02838	6.3
87.00742	6.3
88.89636	1.0
88.98656	1.9
89.02323	4.0
95.01272	2.8
95.21117	1.0
96.95897	1.3
97.02826	2.2
98.19749	1.7
99.00787	3.0
101.02314	6.1
108.57246	0.9
113.02338	7.4
120.12247	1.0
124.01565	3.6
125.02331	7.0
128.03467	1.5
135.04463	1.0
143.03357	1.5
143.04497	2.2
149.02391	1.1
152.01080	1.8
157.18248	1.2
165.05385	1.2
171.10255	1.1
181.04985	2.0
195.06514	1.2
227.12891	1.5
257.12949	2.0
257.17651	3.4
267.19730	1.1
272.08914	1.6
283.02460	3.4
283.19284	1.3
285.20688	8.3
303.21765	39.9
304.22116	3.9
313.68051	1.1
332.00049	1.1
345.22742	1.5
397.13412	1.4
429.24841	21.4
447.25986	100.0
448.26389	10.5
454.09796	1.2
457.13705	1.8
463.17010	3.6
465.27002	40.0
466.27527	2.0
489.27011	19.9
490.27240	2.5
505.08276	1.1
507.28070	40.9
508.28247	4.5
509.29257	1.4
521.30060	1.4
522.30035	1.8
526.78656	1.2
545.13080	1.1
622.78638	1.2
624.73785	1.1
625.11566	1.7
625.24878	2.3
625.41498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.6
64.24899	0.6
71.01286	0.8
71.52345	0.7
73.02813	0.8
75.70737	0.7
99.33658	0.7
100.38621	0.6
129.55093	0.6
134.06000	1.0
199.47661	0.7
199.49493	0.7
211.08820	0.9
213.10246	9.6
214.10727	0.7
215.11850	1.5
227.62802	0.7
234.26575	0.7
265.09964	0.7
299.13956	2.7
327.10300	0.8
328.10760	0.9
340.10651	0.8
372.13699	0.8
385.14053	1.3
398.15280	0.9
405.13742	1.0
418.10419	0.7
419.10983	1.1
420.16592	1.2
421.16681	1.4
432.12540	1.2
433.12894	5.9
434.13568	2.9
439.21323	1.8
447.14682	5.5
448.15305	13.7
449.16058	8.7
450.16599	1.6
462.17453	1.2
463.17715	23.2
464.18176	5.6
465.19107	2.4
473.16232	0.9
476.14438	1.0
477.19931	4.5
478.20053	2.8
479.20874	17.6
480.21140	3.0
490.15863	1.2
491.17221	33.5
492.17480	7.7
503.17407	1.2
504.18036	1.0
505.18555	4.6
506.19574	9.2
507.20480	5.0
519.20050	1.0
519.94641	0.7
520.21149	2.5
523.19849	2.9
524.20563	1.3
537.21625	0.9
538.22223	35.2
539.22766	12.4
540.23016	1.1
561.20990	1.1
593.23944	9.3
594.24353	2.5
625.26660	100.0
626.27002	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	625.2535
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
50.14388	0.3
51.14343	0.4
57.03320	0.3
59.01247	2.1
61.98703	100.0
63.96134	0.5
69.03320	0.5
69.17413	2.7
69.17815	1.2
71.01257	4.7
73.02821	0.8
75.00766	0.6
78.95753	0.4
78.98466	3.1
79.95605	11.1
80.96391	32.0
81.03316	0.4
83.01280	0.4
85.02840	1.8
87.00755	1.6
89.02341	0.5
94.97966	7.5
96.95907	0.8
97.02819	0.9
98.20578	0.9
99.00814	0.5
101.02328	3.0
106.97968	1.6
108.02078	0.5
109.02893	0.4
117.90369	0.4
119.85255	0.3
122.97461	2.8
125.02320	2.0
125.71981	0.4
132.43402	0.4
134.97472	2.8
135.04416	0.4
136.99057	1.2
148.99055	3.3
150.03188	1.4
152.01062	0.7
152.98506	4.2
159.59402	0.4
164.98547	5.3
165.05499	1.6
167.03380	0.4
182.99622	1.5
195.06593	0.6
206.99622	1.9
209.11870	1.1
225.00679	12.8
226.00972	0.7
227.12866	0.9
241.90169	0.5
242.49118	0.4
243.01709	1.3
283.02414	0.7
299.04401	2.2
415.14597	0.5
441.14145	0.6
509.16885	1.1
625.25366	59.8
626.25610	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	625.1408
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
54.12864	0.8
59.01240	3.5
59.49795	0.9
65.00206	2.8
70.38184	1.4
70.38525	1.4
71.01250	3.0
74.71165	0.9
83.01296	1.5
85.02809	1.4
93.03300	1.2
95.01259	3.0
98.19872	1.0
99.00753	1.1
101.02346	1.5
107.01269	3.3
109.02827	5.2
109.99969	6.9
111.00783	5.0
121.02814	1.2
123.00790	4.8
124.01572	2.1
125.02347	3.1
134.03639	0.9
135.04430	1.8
136.03922	0.9
136.98680	2.2
137.02351	2.0
137.99512	3.6
139.00264	10.8
145.02841	1.1
148.01617	0.9
149.02322	1.8
151.00275	11.1
152.01068	6.4
153.01825	2.1
155.04977	1.0
159.04480	2.1
161.02402	1.9
163.00284	3.9
164.01106	1.7
164.98203	0.9
165.01854	1.5
165.98973	11.2
166.99776	6.6
169.01263	1.3
171.04482	2.3
173.02336	1.7
174.03131	1.1
175.03972	1.3
177.01863	1.0
178.99780	12.9
183.04446	2.7
185.02390	1.1
186.03212	1.4
187.03951	3.5
189.01956	3.0
193.98546	0.9
194.99129	1.3
197.02423	1.2
198.03130	2.1
199.03969	7.2
199.13387	1.1
201.01881	4.0
201.05457	1.4
203.03438	4.3
206.99298	2.7
207.06442	1.3
208.00131	1.0
209.00835	1.7
209.11852	5.2
211.03970	3.1
213.01837	1.1
214.02635	2.7
215.03386	4.6
216.04062	1.4
217.01375	1.0
226.02695	1.6
227.03459	11.3
227.12779	1.3
229.01305	2.1
230.02107	1.3
231.02989	5.1
232.03682	1.8
238.20634	1.1
241.01408	1.8
242.02191	5.8
243.02950	12.8
244.03548	2.0
245.04515	3.4
253.01416	1.1
254.02220	1.1
255.02972	12.8
259.02530	5.4
260.03055	1.4
267.03033	0.9
270.01730	9.1
271.02472	50.4
272.03116	9.5
273.04053	5.3
282.01663	1.1
283.02496	52.5
285.03842	1.2
287.01968	17.6
288.02649	9.5
289.03290	1.1
297.00500	1.4
298.01031	2.1
299.01987	47.2
300.02411	7.6
301.03510	2.5
315.01382	3.2
316.02234	69.9
317.02957	40.4
318.03336	2.7
325.03424	3.3
336.20935	0.9
359.04019	1.0
397.13470	2.2
403.06696	11.6
415.14713	1.2
446.23569	1.0
462.08273	1.8
463.09158	1.0
463.17288	2.2
487.11063	1.0
517.11542	1.4
581.14380	1.5
582.04126	1.7
582.12592	15.1
607.13007	2.6
625.14093	100.0
626.14453	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	624.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18634	0.1
55.29187	0.1
55.77868	0.1
59.01248	0.3
61.98703	100.0
62.98417	0.2
68.19881	0.1
70.28362	0.4
71.01259	0.4
73.02834	0.2
74.78035	0.1
78.95771	0.2
79.95638	0.1
80.96405	0.3
85.02850	0.2
87.00769	0.2
89.02359	0.2
101.02326	0.2
111.62853	0.1
123.04433	0.1
125.02386	0.1
140.69083	0.1
172.97511	0.1
177.85406	0.1
225.00851	0.2
269.00974	0.1
283.02466	0.3
304.12659	0.1
356.42926	0.1
403.73267	0.1
624.24817	0.4
624.35571	0.2
625.25568	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	624.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90766	0.1
59.01257	1.2
61.98700	100.0
62.98400	0.2
69.40819	0.3
69.41233	1.0
71.01258	0.7
72.99185	0.2
73.02821	0.3
73.15864	0.1
74.02334	0.2
77.83147	0.1
78.95792	0.2
80.96379	0.3
85.02802	0.2
87.00768	0.2
88.98691	0.2
89.02335	0.5
98.19706	0.2
99.00764	0.3
101.02331	0.3
129.01842	0.2
133.57364	0.2
137.02260	0.1
149.07739	0.1
152.01021	0.2
165.12489	0.1
205.51462	0.2
209.08105	0.1
227.03462	0.3
255.03105	0.5
271.02585	0.2
271.33847	0.2
272.03384	0.3
283.02478	4.7
325.03375	0.2
384.06461	0.2
403.06604	1.1
463.25580	0.3
482.53665	0.2
495.42804	0.2
505.11563	0.2
513.47565	0.2
624.33112	0.7
625.15955	1.0
625.25708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11074	0.1
59.01253	0.3
61.98703	100.0
62.98409	0.1
69.19668	0.7
71.01261	0.1
73.43116	0.1
75.97245	0.1
76.17214	0.1
78.49055	0.1
78.95837	0.2
80.96410	0.3
87.00766	0.1
97.77000	0.1
104.49091	0.1
108.02023	0.1
124.32016	0.1
153.09209	0.1
223.73824	0.1
225.00844	0.1
283.02551	0.1
338.94760	0.1
353.35678	0.1
405.56345	0.1
431.26645	0.2
487.36786	0.1
491.28561	0.1
506.95901	0.1
575.30463	0.1
624.23981	0.3
625.25513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89150	0.3
59.01247	2.0
61.98701	100.0
62.70724	0.2
62.98404	0.3
70.81501	0.6
71.01258	0.7
75.00740	0.3
78.98472	0.3
79.95620	0.8
80.96372	2.0
85.02827	0.3
94.97983	0.5
101.02332	0.4
125.02331	0.3
152.98589	0.3
164.98540	0.4
209.11800	0.3
225.00677	0.9
246.11427	0.3
283.02469	0.9
301.03525	0.4
306.86560	0.3
453.41968	0.3
499.59277	0.3
624.24615	0.5
625.25470	4.8
625.34430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	50.5
59.94032	8.2
61.98706	39.3
70.67354	17.2
71.01266	11.3
89.02330	17.9
96.06506	7.4
101.02303	21.8
108.74030	8.4
109.06487	16.5
109.45213	7.4
116.14098	7.6
125.09619	8.3
150.41377	7.1
161.75133	7.5
178.61697	8.5
197.11794	18.9
199.31480	9.4
207.10260	22.8
223.13487	11.0
225.11308	21.5
253.09236	24.5
291.19620	100.0
292.20050	14.0
310.78848	7.9
387.25281	22.8
405.26358	15.8
527.28705	17.7
623.25244	36.8
623.34473	48.1
624.34766	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	623.2738
Annotation	(-)-Limacine 2'-beta-N-oxide
Peak:m/z	Relative Intensity
59.01245	1.4
61.98699	7.5
63.96107	1.2
69.03333	0.5
71.01250	7.3
72.99174	2.1
73.02817	1.4
78.98465	5.4
79.95602	11.7
80.96387	65.3
81.03344	1.2
85.02843	2.9
87.00738	2.8
89.02306	0.7
92.97359	0.9
94.97960	15.4
96.95856	0.8
97.02810	1.7
99.00758	1.0
101.02314	3.5
106.97987	2.7
109.06476	1.4
112.04838	0.5
113.02349	1.2
119.03308	0.5
122.97448	5.7
125.02331	3.6
127.03907	0.9
134.72639	0.5
134.97487	4.5
136.99011	1.2
139.64761	0.5
148.99051	4.8
152.98526	6.7
164.98541	10.5
168.00516	0.6
181.12112	0.5
182.99602	2.0
197.11786	0.6
206.99594	2.2
207.10138	2.5
225.00697	15.9
225.11279	1.7
226.01018	1.0
243.01747	1.0
291.19595	1.3
299.04523	2.7
328.72928	0.6
369.81787	0.5
397.13248	0.7
539.18018	3.3
540.18182	0.7
623.27332	100.0
624.27637	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	623.1614
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
51.66010	0.5
56.09128	0.4
59.01252	1.3
66.65296	0.5
67.06231	0.4
69.03314	0.9
71.01247	4.6
71.31873	0.8
72.99188	1.1
73.02832	0.9
81.03341	1.0
83.01266	0.7
85.02828	3.4
87.00758	0.6
89.02332	0.7
89.03842	1.0
95.01262	1.9
97.37223	0.4
99.00765	1.5
101.02335	1.4
108.02054	59.8
109.02863	12.1
112.11031	0.5
113.02320	1.8
117.03334	2.7
117.55988	0.6
119.04971	0.5
121.02827	0.7
123.00763	1.2
125.02354	1.5
127.19485	0.5
128.22676	0.5
132.02130	0.7
133.02858	2.0
134.03632	27.7
135.00783	0.8
135.04457	7.8
137.02341	0.7
149.02243	0.5
149.05984	1.5
151.00273	0.8
151.03931	1.3
152.01057	100.0
153.01622	4.9
158.56297	0.4
160.01569	2.9
161.02356	4.3
161.04503	1.1
163.00227	0.6
163.03926	4.0
165.01866	0.5
165.05478	0.6
167.03436	1.2
175.00394	0.5
175.03943	2.8
177.01816	1.5
179.03407	8.3
190.99715	0.5
193.04996	8.1
207.02956	1.1
225.11235	1.4
283.02399	1.0
297.06256	0.8
315.07285	0.9
429.10364	15.4
430.10440	1.3
447.11441	39.5
448.11804	3.6
623.16168	77.8
624.16583	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	622.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95905	0.2
59.01247	0.3
60.70305	0.2
61.98702	100.0
70.59762	0.2
70.85778	0.4
71.01266	0.2
79.24845	0.2
113.02349	0.3
146.23790	0.2
289.12674	0.3
357.99478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66010	0.5
56.09128	0.4
59.01252	1.3
66.65296	0.5
67.06231	0.4
69.03314	0.9
71.01247	4.6
71.31873	0.8
72.99188	1.1
73.02832	0.9
81.03341	1.0
83.01266	0.7
85.02828	3.4
87.00758	0.6
89.02332	0.7
89.03842	1.0
95.01262	1.9
97.37223	0.4
99.00765	1.5
101.02335	1.4
108.02054	59.8
109.02863	12.1
112.11031	0.5
113.02320	1.8
117.03334	2.7
117.55988	0.6
119.04971	0.5
121.02827	0.7
123.00763	1.2
125.02354	1.5
127.19485	0.5
128.22676	0.5
132.02130	0.7
133.02858	2.0
134.03632	27.7
135.00783	0.8
135.04457	7.8
137.02341	0.7
149.02243	0.5
149.05984	1.5
151.00273	0.8
151.03931	1.3
152.01057	100.0
153.01622	4.9
158.56297	0.4
160.01569	2.9
161.02356	4.3
161.04503	1.1
163.00227	0.6
163.03926	4.0
165.01866	0.5
165.05478	0.6
167.03436	1.2
175.00394	0.5
175.03943	2.8
177.01816	1.5
179.03407	8.3
190.99715	0.5
193.04996	8.1
207.02956	1.1
225.11235	1.4
283.02399	1.0
297.06256	0.8
315.07285	0.9
429.10364	15.4
430.10440	1.3
447.11441	39.5
448.11804	3.6
623.16168	77.8
624.16583	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	622.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.5
60.03402	0.1
61.98704	100.0
71.01254	0.5
71.52533	0.2
73.22581	0.2
78.91747	0.2
78.98499	0.2
79.95624	0.3
80.96389	2.1
94.12363	0.2
94.98000	0.5
101.02365	0.3
125.02335	0.3
134.97499	0.2
152.98618	0.2
164.98595	0.4
207.10310	0.2
225.00766	0.5
225.11322	0.2
323.22281	0.2
324.22760	0.2
325.22864	0.2
357.43869	0.2
554.18890	0.2
623.27203	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	622.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35815	0.1
61.98705	100.0
66.00239	0.1
66.21070	0.1
69.53978	1.0
72.42903	0.1
75.45010	0.1
77.03694	0.1
80.96368	0.2
159.65359	0.1
187.56911	0.2
245.70866	0.1
274.35498	0.1
350.21191	0.1
446.41638	0.1
623.26825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18481	0.2
59.01250	0.6
61.98703	8.4
71.01263	0.4
71.51995	0.2
71.52357	0.3
72.99179	2.1
75.00745	100.0
75.79086	0.2
76.01080	1.1
78.95781	0.6
89.02319	0.2
120.22275	0.2
128.03392	0.3
171.00691	0.2
171.10158	0.8
172.01834	0.2
201.11264	0.4
253.09262	1.2
291.19656	1.3
309.20691	2.2
310.21155	0.4
573.26422	0.3
621.32715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
60.06274	0.2
61.98697	3.2
69.18242	2.7
71.01258	0.8
72.99184	3.1
73.02801	0.2
75.00745	100.0
76.01093	1.1
78.95766	0.5
80.96392	0.4
82.06548	0.3
89.02325	0.7
91.81705	0.2
95.20087	0.3
101.02329	0.6
113.02314	0.3
117.02905	0.2
141.09201	0.3
153.59315	0.3
171.10242	1.6
187.09676	0.3
195.13812	0.3
215.12822	0.4
221.15514	0.3
248.35033	0.2
252.58185	0.2
253.09244	2.9
255.23279	0.4
287.12546	0.3
291.19620	3.4
292.20026	0.3
309.20697	12.5
310.20996	1.3
401.44830	0.2
545.29645	4.7
546.30212	0.7
607.67822	0.2
621.37775	0.9
632.32446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66819	0.5
54.56632	0.6
54.69714	0.6
56.91154	0.7
57.03317	1.1
58.00482	1.3
59.01252	28.7
61.98703	11.1
69.03306	4.6
69.20879	6.0
71.01254	24.1
71.04888	1.4
72.99168	2.0
73.02815	4.0
78.95772	5.3
79.95614	1.0
81.03336	1.1
83.01257	1.9
83.61711	0.7
85.02825	5.6
87.00749	6.2
89.02317	25.6
91.03870	0.9
93.03336	0.8
95.01263	1.5
96.95277	1.4
96.95892	22.3
96.96833	8.2
97.02827	4.7
98.02337	1.7
99.00761	1.9
101.02321	21.1
102.02615	0.8
111.04456	0.8
113.02320	9.4
119.03380	7.8
119.30711	0.7
125.02343	7.3
125.61339	0.7
128.03407	0.9
131.03426	1.2
139.03957	1.0
141.09056	0.7
143.03372	3.3
143.04448	1.3
149.04439	0.7
149.09630	1.0
152.01057	1.1
161.04482	3.7
167.03432	3.0
167.10699	3.7
171.10179	0.7
179.05496	4.3
179.10786	1.5
179.14346	3.6
186.20047	0.8
193.12256	0.7
195.13841	11.5
196.14182	0.7
205.12286	10.3
206.12648	1.1
209.04460	0.8
211.75267	0.7
221.06441	1.4
223.13344	100.0
224.13683	7.6
235.06023	1.0
235.08160	7.2
253.09282	2.4
287.07739	1.5
305.08810	2.1
306.64096	0.7
323.09790	1.4
325.20154	1.3
327.21564	0.6
361.12015	0.7
361.57422	0.7
379.12338	0.7
381.44220	0.7
397.13483	52.8
398.13879	4.4
415.09018	1.5
415.14551	30.4
416.14908	2.6
546.14484	0.7
561.29504	0.9
621.27557	5.4
622.27948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11794	0.5
59.01233	1.0
61.98696	1.0
69.12086	0.7
71.52242	0.8
83.04912	1.3
85.32089	0.6
96.95886	0.8
101.02312	1.9
125.02298	0.8
127.11196	0.9
137.09610	2.3
153.09216	0.6
155.10707	3.3
156.27032	0.6
171.04532	0.7
175.00304	0.7
181.08664	0.9
183.04442	1.5
199.03918	0.6
199.09694	5.1
205.95154	0.6
211.03903	1.5
211.13493	0.6
217.10770	12.0
218.11116	0.7
227.03511	5.3
237.02046	1.0
238.02618	1.1
239.03491	1.4
254.01877	0.9
255.02942	7.6
258.01563	0.7
259.02484	1.5
266.02173	0.9
267.02966	1.0
271.02478	2.4
272.03140	2.2
283.02472	100.0
284.02805	11.4
285.03879	1.6
296.03323	0.9
297.03723	0.8
298.01257	1.3
299.02081	1.0
301.03418	1.9
313.03305	3.0
325.03531	3.6
326.03897	0.7
331.04556	1.0
343.04483	0.9
403.06659	28.2
404.06796	2.6
411.05347	0.7
432.85922	0.7
468.93921	0.7
473.14633	2.1
501.13565	3.6
621.18207	24.3
622.18835	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	619.421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	15.7
59.14160	5.1
59.83329	5.2
61.98703	8.8
69.03314	6.0
72.99167	4.1
78.95773	4.9
80.96442	4.1
88.98666	11.6
97.02821	16.7
119.04798	4.5
139.01886	4.6
165.12761	7.0
171.10201	6.3
211.13354	8.5
271.02292	5.1
272.03333	14.0
285.04010	5.8
286.04697	5.6
290.64844	6.1
291.19684	67.1
296.11502	11.0
309.20728	100.0
310.21063	11.4
466.91287	5.1
475.43677	4.8
499.20306	5.8
619.23828	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73783	0.7
59.01240	2.2
60.99180	17.9
64.94830	0.7
71.01242	0.8
85.87597	0.7
85.88121	0.6
87.00746	5.3
88.00255	6.8
88.01097	1.0
88.98679	100.0
89.02317	61.6
89.02912	1.1
89.99000	1.2
90.02650	1.3
116.28106	0.6
136.93755	0.7
147.77396	0.7
179.96956	0.8
191.98650	0.7
293.21301	2.1
428.68692	0.9
500.34396	0.8
619.31647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.4
60.10734	1.0
71.52135	1.2
72.99171	5.2
75.00735	4.8
88.40954	0.9
90.06348	1.0
94.34747	0.9
103.03901	2.1
105.01822	100.0
112.95132	1.0
120.47942	1.0
124.82476	0.9
363.63712	1.1
416.55124	1.3
448.91931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50548	1.1
59.01257	7.3
60.99177	19.5
67.77267	1.1
69.53532	2.6
69.53939	5.6
72.99155	2.4
87.00748	4.1
88.00306	5.8
88.98681	100.0
89.02318	50.2
89.98959	1.6
101.02328	1.8
161.04506	1.3
197.11769	3.9
253.09293	8.6
291.19604	5.5
323.22241	26.9
324.22656	2.0
639.04706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.8
61.98703	1.6
68.31554	0.2
71.01258	0.6
71.52114	0.4
71.52487	0.4
72.99181	2.4
75.00745	100.0
76.01082	1.1
88.96901	0.5
89.02321	0.5
95.37348	0.3
97.06451	0.3
101.02284	0.3
113.02296	0.4
152.71223	0.3
171.10172	0.3
253.09370	0.5
272.03183	0.3
279.61255	0.3
289.18152	0.6
293.21381	0.7
383.22522	0.4
619.31354	0.8
620.32391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.45615	1.0
55.10700	0.9
71.14815	1.2
76.32740	1.0
153.39226	0.9
260.20084	0.9
288.60608	0.9
306.59479	0.9
390.85437	0.9
401.14014	2.6
415.15778	3.5
416.16437	16.7
417.16833	2.1
429.17554	2.0
430.17972	3.5
431.18692	2.1
444.15955	2.0
448.15228	1.3
457.16946	1.1
458.17581	1.3
459.18268	100.0
460.18661	17.5
473.19830	15.6
474.20685	7.1
501.19235	1.5
503.17209	1.9
517.18890	1.0
518.19611	45.9
519.19836	7.4
532.21295	7.1
533.21930	86.9
534.22211	15.8
587.22583	7.3
619.25592	66.4
619.36017	2.1
620.26050	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	619.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
61.98688	0.3
67.33347	0.1
70.28486	0.3
70.93797	0.1
71.01263	0.6
72.99168	0.2
73.02811	0.3
75.00738	0.1
83.01253	0.1
85.02817	0.3
87.00770	0.1
88.98676	0.1
89.02312	0.3
91.05415	0.2
93.03333	37.6
94.03669	1.3
95.01235	0.1
95.04909	0.1
99.00752	0.3
101.01685	0.1
101.02325	0.4
108.02063	0.1
113.02321	0.5
114.51778	0.1
125.02282	0.1
125.09592	0.2
128.03432	0.1
135.04419	2.5
136.03864	0.1
136.04796	0.1
137.02341	100.0
138.01579	0.1
138.02673	3.7
148.05200	4.8
149.05600	0.2
161.04440	0.2
163.07558	3.2
164.07893	0.2
171.10191	0.4
172.10524	0.1
185.11716	0.1
209.11824	0.4
210.12292	0.1
211.13432	0.1
229.14435	0.1
253.09285	0.4
283.02551	0.1
305.17615	0.1
306.07562	0.1
323.18658	0.7
439.16211	0.3
499.18127	0.5
559.18030	0.1
577.19519	0.3
619.20288	1.1
619.29376	0.1
620.20984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21580	0.1
58.29592	0.1
59.01254	1.2
61.98691	0.2
69.30843	1.0
71.01253	1.1
72.99184	0.1
73.02826	0.4
80.55157	0.1
83.01266	0.2
84.70145	0.1
85.02822	0.4
87.00737	0.2
88.74795	0.1
89.02298	0.3
93.03336	33.3
94.03669	1.0
95.01216	0.1
97.02834	0.2
99.00758	0.3
101.02327	0.5
113.02338	0.4
118.61413	0.1
135.04384	0.1
136.01534	0.1
137.02345	100.0
138.02679	3.3
140.53235	0.1
148.05212	4.3
149.05777	0.2
161.04509	0.2
163.07564	2.5
164.07901	0.2
171.10187	0.5
185.11688	0.2
207.50185	0.1
209.11752	0.4
229.14484	0.2
230.52673	0.1
253.09274	0.4
265.14520	0.3
283.02484	0.2
305.17728	0.3
323.18604	1.0
324.19513	0.1
354.53973	0.1
439.16409	0.2
559.18634	0.9
570.43103	0.1
577.19226	3.8
578.19312	0.7
594.22516	0.1
619.20612	0.9
619.29333	0.2
620.20636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54476	0.8
59.01253	3.7
61.98722	1.1
62.55922	0.6
63.96257	0.8
71.51058	0.8
72.99198	1.6
73.02837	1.1
79.80662	0.9
89.02340	0.9
96.95879	1.0
101.02370	0.9
109.02789	0.8
117.03511	0.7
119.04904	1.2
125.09601	1.6
135.04434	1.0
137.02425	0.7
153.09157	3.7
155.07066	1.1
157.21225	0.8
163.03899	0.8
169.08594	1.0
171.10202	10.5
183.04497	1.4
211.03925	1.0
215.09210	19.5
220.98219	0.8
227.03461	3.9
238.02820	0.9
239.03484	1.0
255.03003	6.5
258.01657	1.3
271.02521	2.1
272.03159	2.3
282.01642	1.5
283.02475	100.0
284.02829	9.2
285.04007	2.5
296.03296	0.9
297.03995	0.8
298.01138	1.9
301.03552	2.5
313.03583	2.9
325.03439	3.4
331.04736	1.0
343.20126	0.9
403.06699	35.4
404.07074	4.0
412.33606	0.8
427.14124	1.4
457.13147	1.2
491.21585	0.8
499.12210	4.3
500.12985	1.2
583.73419	0.8
603.19012	0.9
619.16559	34.3
620.17462	6.1
623.28455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72690	0.2
59.01247	0.6
61.98693	0.8
67.57910	0.2
71.01270	0.5
74.02345	0.4
80.54658	0.2
85.02834	0.3
90.95988	0.2
93.03362	0.2
99.05511	0.4
109.02837	0.5
118.79943	0.2
119.79768	0.2
125.02314	0.3
128.03423	0.8
143.04504	1.3
155.04913	0.4
157.02937	0.3
161.02446	0.3
165.05515	0.3
171.04472	0.3
171.10176	3.7
174.42059	0.2
175.00298	0.5
183.04457	2.3
185.02328	0.5
187.03946	0.4
199.03903	1.0
209.02338	0.3
209.11800	2.9
210.08813	0.4
211.03941	3.2
213.01973	0.4
213.14944	0.4
227.03442	6.3
227.12875	0.6
228.03883	0.5
229.04967	0.3
237.01941	0.4
238.02637	1.2
239.03532	1.5
243.03056	0.3
253.05035	0.2
254.02200	1.4
254.07729	0.5
255.02969	8.9
256.03259	0.8
258.01639	1.6
259.02435	2.4
265.01678	0.3
266.02115	0.6
267.03067	1.5
268.03619	0.6
269.04504	0.5
271.02505	3.2
272.03262	3.2
272.08762	1.4
273.03723	0.4
281.04623	0.6
282.01706	0.9
283.02466	100.0
284.02798	8.2
285.03995	1.3
286.04407	0.4
296.03299	1.5
297.03925	1.8
298.01239	1.1
299.01788	0.3
301.03513	1.8
311.02115	1.1
313.03522	1.3
324.02567	0.3
325.03522	5.7
326.03784	0.6
329.02954	0.3
331.04532	0.7
355.04611	0.8
357.36172	0.2
385.05710	0.6
403.06668	14.5
404.06857	1.3
439.17673	0.3
469.18652	4.7
470.18936	0.7
497.18155	14.8
498.18423	2.7
509.18097	0.9
527.19666	1.1
547.36749	0.3
569.22345	0.3
599.21332	0.8
617.22382	36.0
618.22595	6.3
618.31366	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	615.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26347	0.6
52.58849	0.7
55.09645	0.7
59.01248	1.6
61.98709	7.5
67.00050	0.7
71.01221	1.5
71.51537	1.1
72.23212	0.7
72.99169	1.4
91.52125	0.7
93.03288	1.2
96.95911	0.8
108.02079	0.9
109.02848	3.4
113.02284	0.9
115.04739	0.7
121.02805	1.1
123.00749	1.4
123.04395	1.6
124.01539	1.0
125.02291	1.0
128.03476	0.7
136.01579	4.3
137.02406	1.5
139.03905	1.4
145.02798	1.9
146.03629	6.3
147.04367	1.3
148.05145	1.3
150.03122	0.8
151.00278	16.9
151.03894	4.6
158.03587	1.6
159.04407	10.6
160.05206	30.6
161.02394	0.8
161.05838	2.9
164.04678	3.9
165.01848	2.9
165.05421	1.4
166.02623	35.0
167.03049	1.6
173.02383	1.3
173.05991	1.1
175.03973	2.3
175.07565	32.8
176.04691	1.1
176.07910	1.2
177.05414	0.7
178.06291	5.0
179.03360	1.6
179.07043	10.6
180.04224	1.8
181.04979	100.0
182.05310	3.9
187.03854	1.6
191.07100	1.5
193.08640	11.7
195.06587	6.0
205.05038	2.3
217.01225	0.7
225.07552	0.9
238.06467	0.7
249.05577	0.7
250.54474	0.9
279.06494	1.0
282.05356	9.5
283.02490	2.1
283.05688	1.1
294.05304	0.9
297.07648	11.0
298.08035	1.5
301.03546	0.9
309.07852	2.0
312.09995	15.6
313.10416	1.2
327.08948	1.1
327.12341	22.5
328.12592	2.0
342.11157	3.0
345.13553	1.9
357.13422	12.5
358.13779	1.1
375.14468	12.3
376.14972	1.5
387.14658	1.8
391.13904	3.7
403.06644	1.2
405.15500	9.8
585.23627	1.2
615.16705	1.4
615.26434	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	615.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15044	1.0
59.01244	3.3
59.48520	0.9
60.08696	1.0
61.98697	3.4
68.67944	1.0
71.01242	2.1
71.07609	2.4
72.99178	3.8
73.02809	1.1
80.66560	1.0
82.95272	1.6
83.02380	3.7
85.02835	1.4
88.98685	2.5
89.02322	2.1
91.00224	1.4
96.95884	1.4
99.00729	1.0
103.68151	1.1
108.02083	1.2
109.02831	4.5
121.02843	1.3
122.03616	1.7
123.00777	2.3
123.04379	2.0
124.01561	3.8
134.03685	1.9
135.04428	1.1
136.01553	7.7
137.02315	2.5
139.00323	1.1
139.03893	4.2
145.02873	2.0
146.03697	1.8
151.00269	9.0
151.03931	9.0
158.00233	1.0
158.03667	1.4
159.04413	2.4
160.05200	7.9
161.02345	2.0
161.06009	2.2
165.01852	3.9
166.02644	21.8
167.03255	1.3
171.04463	1.2
171.10167	2.2
172.05191	3.0
173.02380	3.9
173.05995	1.3
174.03056	1.6
175.03903	4.0
175.07544	5.7
176.04597	2.3
178.06270	1.4
180.04189	4.3
181.04987	42.1
182.05304	2.2
188.04680	1.5
189.05528	10.0
190.06216	5.8
191.03416	7.7
191.07031	1.7
193.08594	2.1
195.06526	3.2
203.03377	1.1
205.05000	7.4
205.08617	1.3
206.05762	8.0
220.07327	3.8
221.08145	21.2
225.07591	2.9
225.11217	2.6
251.09262	1.1
253.08885	1.5
266.05771	2.7
269.69049	1.1
277.04944	1.0
278.05811	1.6
281.04590	1.9
281.08151	3.0
282.05261	5.9
283.02481	6.4
283.05310	1.3
284.02655	1.5
287.02063	1.3
293.08179	1.8
294.05292	5.2
296.06937	1.8
297.07724	7.8
298.07803	1.2
309.07629	10.6
310.08453	1.3
311.09204	6.3
312.06439	2.1
312.09921	2.5
324.10034	5.9
326.11523	4.3
327.08600	5.1
327.12323	9.7
339.12201	1.7
342.11087	23.0
343.11551	3.7
357.13440	100.0
358.13699	10.2
369.13467	3.9
371.14938	6.0
387.14542	29.6
388.14746	4.1
401.15909	1.8
403.06744	1.9
432.54318	1.1
513.22009	1.2
567.22235	8.4
597.23523	8.0
615.20996	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	614.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
61.98703	100.0
62.27895	0.4
69.24386	2.7
69.24799	0.9
71.01260	1.2
74.02354	0.9
78.95763	0.3
89.02306	0.5
91.01814	0.5
93.03342	0.4
95.04900	0.4
99.05516	0.6
105.01799	0.5
108.02049	0.9
113.02375	0.5
114.72118	0.4
128.03473	1.1
135.00768	0.6
135.13802	0.4
137.02370	1.6
143.04552	1.4
150.03122	1.1
152.01112	0.9
160.00670	0.6
165.05519	1.2
171.10236	1.1
195.06668	0.7
196.06853	0.5
225.11241	0.9
242.04834	0.4
243.06593	6.6
254.07877	0.7
272.09045	1.9
283.02563	1.3
301.03668	0.4
306.07681	4.6
309.06351	0.5
493.19589	0.6
494.20477	1.4
524.21545	0.8
524.37756	0.4
551.17883	2.2
566.21198	0.7
606.25073	0.5
614.24139	1.8
636.82892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30813	0.2
59.01246	0.6
61.98705	2.2
70.66047	0.7
71.01260	0.7
72.99165	0.7
74.02310	0.3
83.01266	0.4
85.02855	0.2
87.00779	0.3
88.98690	0.4
89.02355	0.4
94.73170	0.3
99.05518	0.6
101.02316	0.4
105.11100	0.3
109.02824	0.7
125.02309	0.3
128.03426	1.0
137.02292	0.4
143.04561	1.5
151.00264	0.3
151.03984	0.5
155.04936	0.3
159.04436	0.3
160.05301	0.4
165.01909	0.7
166.02556	0.9
167.03423	0.4
167.04865	0.3
171.04391	0.4
171.10191	0.8
175.00267	0.4
175.07556	0.5
179.04607	0.5
180.04155	0.4
181.04967	2.1
183.04446	1.9
185.02368	0.6
195.06606	0.8
199.03923	1.0
211.03958	2.9
213.01707	0.3
225.07578	0.4
225.11264	0.6
227.03481	5.3
228.03876	0.5
233.59718	0.3
237.01962	0.4
238.02650	1.6
239.03380	1.3
243.02995	0.9
253.09239	0.3
254.02162	1.1
254.07784	0.9
255.02965	8.0
256.03357	1.1
257.04343	0.3
258.01776	1.9
259.02411	2.3
266.02167	0.6
267.02936	0.9
268.03622	0.4
271.02539	2.5
272.03247	3.5
272.05878	0.4
272.08786	1.8
273.03967	0.3
281.04498	0.5
282.01590	0.7
283.02472	100.0
284.02847	8.5
285.04022	1.3
296.03296	1.3
297.04019	1.7
298.01254	1.0
301.03568	2.9
306.07623	0.4
311.02097	0.7
313.03607	1.3
324.02722	0.4
324.99915	0.5
325.03540	6.1
326.04010	0.4
331.04581	1.5
355.04562	0.8
385.05801	0.6
403.06686	17.8
404.07034	2.0
410.99088	0.3
421.07565	1.0
467.17004	3.1
468.17224	0.3
487.25052	0.4
495.16605	13.5
496.16873	2.2
507.16693	0.7
525.17377	0.4
552.12469	0.3
597.19550	0.5
615.20813	30.0
616.20862	5.6
616.28601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44331	9.0
50.65566	9.4
59.01239	33.6
61.98712	60.2
71.01244	32.9
71.53128	11.8
71.88915	8.6
75.00775	10.1
78.95808	9.0
89.02313	10.8
96.95899	15.0
101.02322	13.5
109.02925	9.8
128.03429	21.4
136.49493	8.7
143.04457	12.8
144.04796	9.4
145.08665	12.8
165.05524	10.8
171.10178	16.4
193.05005	12.1
195.06343	9.7
209.11659	17.2
211.13214	9.7
225.14917	8.4
232.29015	9.6
243.16203	10.9
253.09259	48.7
272.08923	13.2
283.02448	11.1
306.07813	19.9
307.08023	13.2
341.23334	100.0
342.23560	14.6
403.13983	33.1
577.32233	20.6
613.29919	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48510	0.3
55.01766	0.3
57.03324	1.3
59.01244	1.2
61.98701	4.0
69.03327	2.2
69.60613	1.5
70.54833	0.3
71.01263	2.4
71.04897	0.7
72.63586	0.3
72.99192	1.1
73.02835	0.8
83.01289	0.5
85.02821	2.7
87.00770	0.3
93.03353	0.6
95.01257	1.0
96.95896	0.6
97.02795	0.4
99.00758	0.8
101.02325	1.1
108.02055	50.0
109.02888	8.0
110.03194	0.3
111.00769	0.3
113.02319	1.7
120.05321	0.3
121.02838	1.0
123.00775	0.6
123.04440	0.5
125.02332	0.6
129.67126	0.3
133.02925	0.4
134.03648	0.9
135.04401	0.8
137.02328	0.4
139.11189	1.9
147.04372	0.4
149.02399	0.7
151.00294	0.3
151.03915	0.7
152.01064	100.0
153.01712	4.8
153.23421	0.3
161.02370	0.4
161.04466	0.5
163.03937	4.4
164.04407	0.4
165.01875	0.9
165.05470	0.3
173.04588	0.3
175.03970	0.3
177.01886	0.9
177.05331	0.4
179.03412	1.1
181.04988	0.3
183.10228	2.0
191.03458	0.3
193.05049	0.4
195.06473	0.4
207.02917	0.7
225.07594	0.5
250.15225	0.3
269.04697	0.5
271.08041	0.3
272.03107	0.5
274.01154	0.7
283.02600	1.2
287.02118	0.3
297.06186	0.8
299.02002	1.2
301.03494	0.5
313.03476	0.5
315.07202	1.1
403.06812	0.3
403.12482	0.3
419.06042	0.6
421.08041	0.4
429.10367	12.9
430.10507	1.2
437.07391	0.3
447.11459	5.3
448.11655	0.5
457.11942	0.3
494.10715	0.3
613.21362	81.2
614.21783	15.4
614.31818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18558	1.1
55.01735	1.9
57.03307	1.5
59.01253	12.1
61.98711	6.1
71.01257	13.8
71.52210	1.5
73.02815	2.8
73.92507	1.1
78.95755	1.8
81.03319	1.3
82.80282	1.2
83.01250	2.5
83.63355	1.2
85.02809	5.1
87.00751	2.4
88.98653	2.5
89.02321	2.8
95.01260	1.2
97.25947	1.1
99.00790	2.3
101.02324	9.0
111.00731	1.9
113.01597	1.1
113.02318	5.0
121.02668	1.2
125.02330	3.3
135.04381	2.3
136.29721	1.0
137.02325	1.6
181.05061	1.4
203.03372	2.7
211.03963	1.2
211.13280	1.7
212.13638	1.2
213.14987	5.1
217.26132	1.1
223.06017	2.0
227.03506	1.4
233.08130	2.1
254.02080	1.2
255.02916	4.3
258.01685	1.8
269.21146	1.5
271.02359	2.1
272.03143	1.5
283.02481	36.2
284.02991	2.5
287.22296	16.3
288.22711	1.3
288.98630	1.3
301.03351	1.4
325.03470	2.8
379.50790	1.2
397.13217	1.7
403.06555	7.7
415.14856	1.4
431.26645	5.6
449.27487	22.0
450.27795	3.9
491.13449	1.2
499.11728	1.2
567.18652	2.3
593.31824	2.6
611.18262	8.5
611.32782	100.0
612.17780	2.7
612.33295	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	611.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31129	0.5
59.01254	1.4
61.98698	5.3
63.96110	1.0
69.03322	0.6
69.21910	0.5
69.22314	3.0
71.01254	6.9
71.76450	0.4
73.02814	1.6
74.81152	0.4
78.98462	4.4
79.95194	0.3
79.95608	10.0
80.96391	58.8
81.03322	0.7
85.02359	0.4
85.02806	2.2
87.00744	2.5
94.97964	14.3
94.98579	0.7
95.01274	0.6
96.95879	0.8
97.02824	1.8
98.20498	0.8
101.02319	2.6
106.97970	2.6
112.18019	0.4
113.02280	0.6
114.28808	0.4
119.88916	0.4
122.97467	4.7
125.02352	2.8
127.03899	0.9
129.09044	0.5
134.97464	3.7
136.99046	1.5
143.03377	0.4
148.99059	5.2
152.98535	6.7
164.98535	11.3
168.72466	0.3
170.23459	0.4
182.99617	2.1
206.99672	3.0
211.13254	0.5
225.00682	16.4
242.70393	0.4
243.01770	1.4
292.31143	0.4
299.04300	2.8
311.22375	0.9
394.90347	0.5
461.07632	0.4
484.49396	0.4
611.27405	100.0
612.27661	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	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01247	3.1
61.98708	10.1
65.41786	0.6
71.01247	1.9
71.52356	1.0
74.02353	0.8
78.95776	52.2
80.91566	9.8
80.96384	1.4
82.95985	0.7
89.02317	1.0
95.04893	2.9
96.96838	10.5
97.45255	0.5
101.02304	1.3
101.28873	0.5
113.02312	0.9
113.09583	1.8
123.16326	0.6
128.03395	1.1
141.01598	0.6
143.04495	1.5
145.46701	0.7
150.97932	1.1
151.11221	0.9
152.99498	59.7
153.99855	0.9
161.04468	0.8
171.00537	1.6
173.02985	0.8
177.16411	0.6
179.04483	0.6
179.14291	1.2
195.13834	19.9
195.15588	1.3
196.14256	1.3
211.13341	0.7
221.46216	0.6
223.00050	6.1
223.13412	0.8
227.12871	1.1
241.01152	21.7
253.09286	7.0
259.02142	1.8
272.08920	1.4
275.06506	3.9
275.20224	1.1
277.21759	13.8
278.11304	3.6
278.22037	1.0
293.17999	1.2
293.21198	16.7
294.21454	1.6
295.22781	49.7
296.23062	3.8
314.63513	0.6
315.04907	9.3
315.19421	2.6
333.06082	1.0
335.09659	0.7
345.06168	0.6
375.21466	2.6
514.19342	0.7
611.28333	100.0
612.28693	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	611.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03312	1.6
59.01259	1.0
67.01788	1.0
68.45047	0.7
68.99665	0.9
69.03326	3.7
70.80269	1.4
70.80582	0.9
71.01244	2.8
73.02819	2.0
81.03333	16.6
83.01260	15.0
83.01733	0.5
85.02826	2.4
93.03326	4.3
95.01272	4.1
95.04902	8.3
97.02821	11.5
99.00748	1.1
99.04385	7.9
101.02326	1.4
102.26855	0.6
107.04895	2.5
108.02023	0.9
109.02824	4.7
109.06467	0.8
111.00758	0.8
111.04400	4.6
113.02365	3.4
117.03362	3.7
119.04885	1.4
121.02861	4.8
121.06460	2.3
123.00739	1.5
123.04410	35.5
125.02338	39.3
125.05980	1.2
135.04449	5.6
137.02350	13.7
137.05975	3.2
138.03017	1.5
139.03918	5.6
147.04445	3.0
149.02364	2.3
149.05949	1.2
151.03906	6.2
153.05470	4.0
155.03369	1.7
161.02263	1.0
162.00929	0.6
163.00261	1.6
163.03920	2.8
164.06770	0.7
165.01845	2.3
165.05453	4.0
166.02625	1.7
167.03416	57.4
168.03706	2.2
174.60165	0.7
175.03940	0.8
177.01865	1.6
177.05470	1.0
179.03409	13.9
181.04944	3.3
191.03452	3.3
193.04988	2.1
197.04498	13.9
205.01326	0.8
207.02933	1.5
209.04498	100.0
210.04823	6.7
221.04440	5.8
233.04463	1.3
235.02376	1.0
237.03830	0.8
239.05576	79.8
240.05830	4.6
251.05573	5.6
263.05637	1.0
269.03751	1.5
269.06665	28.5
270.07010	1.3
277.03555	1.9
281.06635	4.1
293.06909	0.8
299.07880	1.2
301.03461	1.0
307.04608	0.9
311.07748	6.9
323.07721	1.4
329.08838	19.3
330.09229	1.3
341.08774	6.4
359.09790	5.4
371.07709	38.7
372.08072	3.7
383.07599	1.5
401.08780	30.3
401.14142	1.6
402.09103	3.3
413.09030	1.5
431.09720	7.6
432.09805	1.2
449.13092	8.0
473.11017	5.8
474.11169	1.3
491.11923	16.6
492.12308	2.3
503.11868	2.5
521.13031	3.4
593.15369	1.7
611.16125	6.7
612.16736	1.6
619.09692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98571	0.3
59.01244	0.5
59.77438	0.4
61.98703	100.0
63.99133	1.0
64.00800	0.3
66.85922	0.3
71.01266	0.6
78.95785	1.1
79.95600	0.8
80.96385	2.1
85.02849	0.5
85.33010	0.4
94.97942	0.5
101.02343	0.4
125.02360	0.4
128.03445	0.4
128.27936	0.3
152.99525	0.6
225.00819	0.5
225.11522	0.4
396.49295	0.4
610.25964	2.7
611.27185	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	611.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78017	0.3
59.01257	0.4
60.93604	0.2
61.98708	0.4
65.00195	0.3
70.81142	0.8
83.01261	0.3
91.05413	1.7
96.35004	0.2
107.01264	0.7
107.04927	0.8
107.45679	0.3
108.02070	0.4
109.02843	0.5
121.02839	0.7
135.04416	65.9
136.04745	3.2
148.01564	0.4
149.02417	0.3
151.00272	2.0
152.00586	0.6
153.00771	0.6
163.03862	0.4
164.00728	0.4
169.01376	0.2
173.06110	0.3
175.00240	0.4
175.03859	0.3
178.99760	1.0
181.00316	0.3
183.04483	1.5
185.02359	0.3
193.01353	0.6
194.05727	0.3
199.03883	0.8
207.02925	15.8
208.03296	1.1
211.03911	1.8
226.02548	0.4
227.03429	4.2
228.03711	0.6
238.02713	0.9
239.03494	0.8
243.02957	0.9
244.03276	0.8
245.03592	0.4
254.02194	0.6
255.02966	7.8
256.03256	2.1
257.03439	1.3
259.02631	0.6
266.01987	0.4
271.02457	5.7
272.02820	4.4
273.03021	3.5
281.04520	0.5
282.01855	0.4
283.02466	100.0
284.02835	9.0
285.03958	0.7
297.04031	0.4
298.01062	0.4
300.02716	7.6
301.03214	9.2
302.03421	8.2
303.03973	2.5
313.03604	1.1
325.03467	1.6
343.04272	0.5
403.06680	49.5
404.06998	5.8
475.16553	0.4
491.06137	1.1
610.14966	1.5
611.14819	16.4
612.10980	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	610.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97950	0.1
52.76984	0.1
53.84370	0.1
54.86289	0.1
59.01250	0.2
61.98702	100.0
62.98398	0.1
63.99128	0.2
71.01264	0.5
71.32073	0.2
74.10601	0.1
77.86208	0.1
78.95773	0.8
78.98470	0.3
79.95592	0.8
80.96391	3.9
82.95962	1.1
82.96799	0.2
85.02826	0.3
87.00740	0.3
88.81315	0.1
89.02308	0.1
94.97958	0.9
96.97538	0.3
97.02795	0.1
101.02330	0.2
106.97981	0.3
107.61881	0.1
117.61453	0.1
122.97445	0.1
125.02348	0.3
128.03426	0.3
134.97493	0.4
142.33571	0.1
143.04526	0.2
148.99046	0.2
152.98473	0.2
152.99521	0.5
154.98026	0.1
161.09601	0.1
164.98529	0.7
181.24858	0.1
197.11806	0.1
206.99611	0.2
211.13281	0.2
224.77510	0.1
225.00690	0.9
227.00381	0.2
241.01068	0.3
241.49741	0.1
272.08835	0.1
293.21140	0.2
294.21527	0.3
299.04672	0.2
306.07645	0.5
465.10364	0.1
599.14893	0.1
610.25208	4.0
611.27313	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	610.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
61.98704	100.0
62.98408	0.3
63.99122	1.1
69.47768	1.4
71.01260	0.3
78.95780	0.7
79.07019	0.2
79.95618	0.6
80.96393	1.7
91.95855	0.2
98.19852	0.5
128.03435	0.4
143.04492	0.4
161.51685	0.2
225.00781	0.3
272.09183	0.2
341.26416	0.2
346.81796	0.2
460.08496	0.3
536.55548	0.2
610.26563	2.1
611.27039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	74.3
61.89758	4.4
61.98702	7.9
69.17184	11.9
69.17604	28.4
71.01251	14.7
73.02808	5.2
75.97754	3.2
79.95600	9.5
85.02830	6.3
87.00743	8.1
87.72847	3.5
89.02307	7.2
91.03898	3.7
118.79348	3.6
118.80316	3.9
125.02324	7.9
167.03471	4.2
269.21268	7.1
287.22266	44.0
344.31647	3.9
413.25363	7.0
431.20764	7.2
431.26474	100.0
431.32297	7.2
432.26575	9.0
449.27713	37.6
473.27563	12.5
491.28568	26.5
492.28656	5.2
505.29883	5.2
591.81549	3.5
609.24982	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	609.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
61.98703	100.0
62.98396	1.5
63.96115	1.1
63.99133	1.1
64.48213	0.5
71.01259	6.0
71.09816	1.4
73.02811	1.7
78.98469	4.8
79.95603	12.8
79.96033	0.9
80.96391	54.2
85.02821	1.8
86.92422	0.6
87.00732	2.7
94.97958	13.3
96.95885	1.2
97.02827	2.1
101.02325	2.3
106.97968	2.9
107.68134	0.5
122.97455	5.0
125.02329	2.5
125.03283	0.4
127.03957	0.6
134.97498	4.1
136.99010	1.5
148.99062	4.0
152.98544	5.7
164.98549	10.4
182.99626	2.1
197.11729	1.2
206.99603	3.1
225.00685	14.0
243.01746	1.2
250.02544	0.7
299.04456	2.2
481.17535	1.0
548.36438	0.7
553.92651	0.7
609.25830	95.2
610.26160	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50312	0.3
56.08626	0.4
57.03325	0.5
59.01249	1.3
59.71828	0.3
61.98708	2.0
62.82226	0.3
63.96112	0.9
69.03322	0.5
69.40279	2.8
71.01257	7.0
73.02806	1.7
78.91754	1.1
78.95773	2.4
78.98465	5.8
79.95609	11.2
80.96393	61.3
81.03329	0.8
83.01257	0.8
85.02830	3.2
87.00748	3.2
87.52039	0.4
93.03244	0.4
94.97962	14.3
96.95873	0.7
96.96863	0.9
97.02831	1.3
99.00758	0.6
101.02326	3.0
106.97966	2.7
109.02823	0.7
113.02321	0.5
113.09595	0.9
122.97470	4.9
125.02359	2.7
125.09634	0.4
127.03870	0.6
134.97467	4.6
136.99040	1.1
138.67511	0.3
139.11075	0.3
148.99042	4.5
152.98514	6.0
152.99525	3.2
161.04514	0.4
164.98547	9.2
167.00114	0.4
182.99609	2.1
188.98534	0.5
206.99699	2.9
209.11731	0.8
211.13324	2.3
213.67786	0.4
225.00693	17.6
225.11313	0.4
226.00958	0.6
241.01170	1.5
243.01753	1.5
245.24321	0.3
287.64691	0.4
291.19476	0.7
293.21225	3.3
294.21527	0.4
299.04434	2.2
315.04990	0.8
373.23761	0.5
396.98569	0.3
397.13638	0.6
415.14236	0.5
609.25885	100.0
610.26227	16.9
610.33807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56635	0.8
59.01257	18.5
69.36568	5.8
70.33835	0.8
71.01244	1.5
83.35699	0.9
85.02837	1.2
95.01265	1.2
99.00791	1.1
107.59879	0.9
108.02051	1.5
109.02829	1.4
111.00754	1.6
123.00812	2.4
123.04388	1.4
134.03647	1.4
136.01556	6.7
137.02309	2.9
139.00237	4.2
149.02286	1.6
149.06024	1.2
151.00285	7.6
151.03894	7.0
152.01027	2.8
153.01759	1.3
159.04402	1.6
160.01649	1.0
160.05168	1.3
164.01096	1.2
165.01849	24.8
165.05389	1.6
165.98900	1.5
166.02634	10.1
166.99788	1.4
171.04411	1.1
175.03883	1.7
176.04646	3.1
178.99765	3.3
179.03441	16.1
180.04193	32.5
181.04977	11.1
182.05650	1.0
183.04433	1.3
187.03909	1.3
188.04591	1.2
189.05588	1.1
191.03448	1.4
191.07057	2.1
193.05035	1.5
194.05789	18.8
195.06557	100.0
196.06906	4.7
199.03989	1.1
205.04906	1.3
206.05733	1.2
211.03925	2.2
215.03354	1.1
221.08174	1.6
227.03444	3.3
229.05061	1.6
239.03474	1.1
243.02968	7.4
250.06194	1.2
255.02951	15.4
256.03406	1.6
257.04440	3.1
271.02444	20.4
272.03101	6.9
273.03934	1.1
277.04919	1.4
278.05914	1.9
283.02618	7.7
284.03159	1.3
285.04132	1.7
292.07202	1.2
293.08246	5.6
294.05527	1.7
294.08780	1.8
299.01727	1.1
299.18259	1.1
299.99460	1.7
300.02759	27.7
301.03476	22.0
302.03870	2.8
308.10535	5.2
309.07758	4.7
324.10101	4.9
339.12387	6.0
342.10980	3.0
354.11230	1.1
357.13422	69.4
358.13882	6.9
369.13541	2.3
387.14551	2.3
399.14618	1.6
417.15543	52.0
418.15933	6.2
429.15549	2.7
447.16565	30.0
448.16898	3.8
591.14038	1.2
609.14563	56.0
610.14941	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66069	0.3
52.90673	0.3
63.02269	1.0
65.00192	1.9
69.27612	2.0
69.28027	0.5
83.01247	1.2
84.01609	0.3
91.01772	0.6
107.01273	3.4
108.02070	1.7
109.02846	1.8
121.02846	2.1
124.01534	0.7
125.02334	0.4
133.02878	0.4
135.00766	1.1
148.01515	1.6
149.02400	0.3
151.00275	14.0
152.00642	0.6
153.01826	0.4
159.04451	0.7
161.02380	0.3
163.00307	3.3
164.01070	0.5
169.01352	0.5
178.99780	6.8
180.00139	0.4
183.04463	0.4
187.03885	0.6
188.04773	0.3
190.99828	0.5
192.00563	0.5
193.01299	0.4
198.03094	0.3
199.03896	1.2
201.05484	0.6
203.03476	0.5
211.03972	1.7
215.03468	1.1
216.04353	0.6
226.02713	2.3
227.03462	3.7
228.04021	0.3
229.04961	0.8
239.03333	0.4
243.02965	12.4
244.03574	1.4
245.04485	1.1
254.02194	2.2
255.02963	31.2
256.03305	3.2
271.02469	66.3
272.02933	6.7
272.20306	0.3
273.03958	1.1
283.02551	1.8
299.02081	1.5
300.02740	100.0
301.03439	39.3
302.03912	3.3
343.04474	0.7
352.88834	0.3
421.05557	0.3
484.78488	0.4
496.92944	0.3
609.14600	64.3
610.14935	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	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31033	0.2
52.00066	0.2
59.01242	0.4
60.42229	0.2
61.98703	100.0
62.98394	0.2
65.99611	0.2
69.03316	0.2
70.90257	0.4
71.01251	1.3
73.02825	0.4
78.98077	0.2
78.98464	1.0
79.95596	2.1
80.96389	13.3
85.02844	0.5
87.00753	0.6
94.97966	3.5
96.95900	0.3
97.02844	0.4
97.88661	0.2
101.02319	0.5
106.97982	0.5
122.97461	1.0
125.02343	0.7
127.03911	0.3
134.97510	0.9
136.99014	0.3
148.99025	1.0
152.98534	1.6
164.98511	2.4
182.99638	0.4
196.70366	0.2
204.74635	0.2
206.99677	0.6
213.56902	0.2
225.00694	4.0
233.34129	0.2
238.01779	0.2
238.20857	0.2
243.01849	0.5
255.08463	0.2
273.05652	0.2
282.18790	0.2
291.19672	0.3
299.04520	0.6
403.13275	0.2
405.35150	0.2
438.20236	0.2
609.25830	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68708	0.8
59.01244	3.7
66.28236	0.7
68.61633	0.7
70.85013	1.9
71.01248	6.4
73.02818	2.7
74.02381	0.8
81.03339	1.9
85.02348	0.7
85.02802	4.3
89.02338	2.3
93.03325	0.9
95.01263	2.0
97.02864	1.0
99.00757	3.2
99.04425	1.7
101.02335	4.6
108.02055	43.9
109.02866	13.9
113.02367	3.1
118.67181	0.7
121.02858	1.0
123.00732	1.1
123.04372	1.4
125.02344	4.4
133.02861	7.4
134.03667	1.2
135.04430	17.8
137.02332	1.8
151.03923	3.2
152.01060	100.0
153.01669	5.8
159.29193	0.8
161.02351	9.8
161.04469	3.5
163.03925	6.1
165.01778	1.6
167.03400	15.6
177.01797	1.8
179.03432	6.6
189.31517	0.9
197.04472	2.1
207.02969	1.4
219.03018	0.9
235.02423	3.0
265.03412	1.1
271.08118	1.1
278.02158	0.9
306.07590	1.8
315.07220	1.7
315.53723	0.9
327.05411	0.9
345.06052	6.2
375.07184	1.8
429.10449	3.1
444.08026	0.8
447.11444	73.4
448.11691	7.4
473.10349	1.0
497.17819	2.3
542.10089	0.8
565.15283	1.7
609.14612	83.6
610.05707	1.5
610.14929	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40902	0.1
59.01247	0.5
59.79082	0.1
61.98703	100.0
63.96111	0.2
69.48074	0.9
71.01263	1.1
73.02832	0.2
78.98449	0.8
79.95608	1.7
80.96390	7.9
85.02849	0.2
87.00769	0.3
87.46046	0.1
87.99515	0.2
89.02329	0.2
94.97971	2.0
101.02328	0.4
106.97959	0.3
122.97467	0.8
125.02367	0.4
134.97499	0.5
136.99028	0.2
148.99048	0.8
152.98586	0.6
164.98538	1.7
179.32484	0.1
182.99745	0.2
193.16513	0.1
206.99640	0.4
211.13373	0.9
214.30875	0.1
225.00693	2.4
243.01782	0.2
292.82275	0.2
299.04404	0.2
397.13586	0.4
415.14801	0.2
609.25812	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98704	100.0
62.98397	0.2
69.38602	1.3
71.01271	0.3
75.00754	0.2
78.91772	1.1
78.95790	0.2
79.95577	0.2
80.96392	1.2
98.19781	0.2
103.06757	0.1
109.02847	0.2
125.02477	0.1
133.68555	0.2
140.04587	0.2
147.54477	0.1
148.99153	0.2
152.99541	0.2
157.47887	0.2
192.53714	0.2
211.13362	0.3
225.00769	0.4
272.44501	0.2
291.19891	0.3
293.21436	0.2
309.20438	0.2
313.17920	0.2
329.25073	0.2
373.23868	0.3
391.24973	0.4
397.13766	0.2
420.25348	0.1
609.25330	1.6
609.34607	0.3
620.52502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
70.56379	0.2
71.29969	0.3
78.98458	0.2
79.14539	0.2
79.95607	0.4
80.96374	1.1
86.70027	0.1
94.97968	0.3
164.98643	0.2
225.00687	0.4
383.91309	0.1
462.94177	0.1
608.24969	0.5
609.25677	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	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26363	0.1
55.55195	0.2
61.98703	100.0
69.16936	0.7
69.17361	0.9
71.70462	0.2
79.95627	0.1
80.96385	0.3
83.64772	0.1
86.55112	0.2
97.14201	0.1
106.57065	0.2
212.87337	0.1
231.60355	0.2
341.07703	0.2
385.39905	0.2
564.49731	0.2
586.43597	0.2
609.25726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.32185	0.1
62.98412	0.2
69.21590	0.4
69.22009	0.8
71.01270	0.2
72.30658	0.1
78.95803	0.2
80.96393	0.7
97.04659	0.1
134.23686	0.1
136.26645	0.1
140.42982	0.1
152.99513	0.2
160.23827	0.1
164.98529	0.2
174.99345	0.1
283.90695	0.1
311.22607	0.2
351.19006	0.1
569.42389	0.1
608.24707	1.2
609.26080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
60.04503	0.2
61.16643	0.1
61.23501	0.1
61.98703	100.0
62.98418	0.2
70.26795	0.5
71.01247	0.6
78.95797	0.8
78.98472	0.3
79.95615	0.7
80.96391	3.8
80.96848	0.2
82.95985	0.3
85.02856	0.3
87.00752	0.4
89.02309	0.1
94.97929	0.8
101.02357	0.2
109.91947	0.1
125.02355	0.2
141.47911	0.1
146.96333	0.1
148.99075	0.2
152.98480	0.3
152.99541	0.3
154.73111	0.1
164.98520	0.5
206.99869	0.1
211.13364	0.4
225.00710	0.9
226.01271	0.2
229.03407	0.1
311.22104	0.2
397.13617	0.2
608.24658	3.7
609.25574	2.8
609.35150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	7.5
61.98704	47.5
65.04336	0.9
69.80997	4.0
71.01254	9.2
73.02817	2.3
74.00587	0.7
78.98469	6.1
79.95177	1.2
79.95608	14.8
80.96391	67.3
81.03324	1.5
83.04869	0.8
84.51351	0.8
85.02812	2.7
87.00746	3.1
89.02308	1.8
92.43964	0.7
94.97957	15.2
96.95859	1.3
97.02788	1.9
101.02333	4.2
106.97964	3.5
113.02326	1.5
122.97472	6.0
125.02319	2.6
127.03912	1.9
134.97459	4.9
136.99081	1.5
139.11134	1.8
145.65596	0.7
148.99031	5.6
152.98543	7.0
161.04419	1.6
163.07234	0.8
164.98541	11.3
167.00174	1.1
171.10211	5.9
182.99614	2.3
193.12279	2.2
206.99652	4.1
211.13319	1.9
225.00713	18.1
238.72086	1.0
243.01860	2.1
253.09319	11.7
289.04477	0.9
293.21237	7.0
299.04431	3.1
311.22275	41.8
312.22668	4.3
348.10440	0.8
433.83084	0.9
471.23898	0.8
557.71826	0.8
607.24323	100.0
608.24640	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	607.2431
Annotation	Tiliasine
Peak:m/z	Relative Intensity
53.90427	0.4
59.01260	1.9
59.38622	0.4
61.98705	12.5
63.96119	1.4
69.03328	1.1
70.43681	1.3
71.00893	0.7
71.01256	8.1
72.99162	0.5
73.02832	2.1
75.00784	0.3
78.98463	4.9
79.95605	12.0
80.96392	66.9
81.03342	0.9
85.02827	3.4
87.00760	2.9
87.04364	0.6
87.98784	0.4
94.97965	16.9
96.95888	1.1
97.02839	1.8
97.56647	0.4
99.00730	0.9
99.04378	0.6
101.02315	3.5
106.97976	3.2
113.02362	0.8
122.97471	5.7
125.02356	3.4
126.24050	0.4
127.03897	1.0
134.97487	4.3
136.99045	1.7
146.97569	0.6
148.99048	6.1
152.98538	8.3
152.99707	0.7
157.59406	0.4
161.04396	0.7
164.98549	12.8
167.00130	0.6
179.00246	0.4
182.99634	2.4
188.98578	0.4
200.89021	0.4
206.99612	3.9
209.11890	0.8
225.00700	21.8
226.00943	0.9
243.01686	2.5
289.18167	1.3
299.04428	3.7
300.33289	0.4
313.70715	0.4
488.25406	0.4
607.24304	100.0
608.24609	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	607.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59201	0.3
59.01255	2.3
60.19669	0.3
61.98701	100.0
62.98392	0.6
63.96109	0.7
63.99115	0.5
71.01254	5.3
71.52771	0.3
72.99167	0.5
73.02812	1.0
75.00760	0.4
77.39283	0.4
78.91763	0.4
78.95781	0.8
78.98471	3.2
79.95605	10.2
80.96389	40.8
83.01260	0.5
85.02827	2.2
87.00759	2.0
89.02346	0.7
94.97963	9.1
96.95909	0.5
97.02845	0.9
97.06435	0.4
99.00784	0.7
101.02341	2.4
103.25702	0.3
106.97940	1.8
109.02879	0.6
113.02334	0.6
122.97474	2.3
125.02333	1.9
127.03896	0.4
134.97467	2.5
136.99011	0.6
148.99013	4.0
152.98509	3.4
152.99533	0.7
159.87482	0.3
161.04507	0.5
162.03143	0.4
164.98550	7.3
165.12732	1.0
171.10126	0.8
183.13811	1.0
203.07623	0.3
206.99620	1.4
209.11868	1.7
211.13385	0.7
224.98683	0.6
225.00693	7.4
227.12849	3.4
241.00397	0.4
253.09271	1.6
266.02792	0.3
291.19543	0.3
293.21167	1.1
297.59021	0.3
299.04352	1.3
311.22269	5.9
312.22562	0.6
422.54767	0.4
427.12888	0.5
441.42215	0.4
607.24329	60.7
608.24780	10.4
608.34180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2431
Annotation	Tiliasine
Peak:m/z	Relative Intensity
55.65203	0.3
55.84288	0.3
57.03318	0.4
57.25041	0.3
59.01253	1.8
61.98704	24.7
63.96096	0.8
69.03336	0.8
71.01254	7.5
73.02815	2.2
78.95773	0.3
78.98464	5.2
79.95606	14.3
80.96391	65.7
81.03337	0.9
81.96346	0.3
83.01268	0.7
83.04922	0.4
85.02825	2.7
87.00751	2.2
89.02319	0.6
91.03838	0.3
94.97961	15.4
95.01276	0.4
96.95882	1.1
97.02824	1.6
99.00768	0.6
101.02323	2.5
106.97971	3.0
113.02325	0.7
122.97477	5.2
125.02340	2.6
127.03907	0.9
134.97472	4.7
136.99017	1.3
146.97461	0.3
148.99048	5.2
152.98532	6.7
152.99686	0.5
161.04445	0.4
164.98538	10.1
165.12772	1.1
167.00139	0.4
171.10191	0.8
182.99567	1.8
183.13771	1.3
193.12248	0.3
206.99608	3.2
209.11844	0.9
211.13312	0.7
225.00705	15.7
226.00969	0.5
227.12834	2.8
243.01732	1.7
253.09193	1.6
293.21243	1.0
299.04425	2.5
311.22278	5.0
312.22400	0.3
427.12503	0.3
607.24335	100.0
608.24628	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	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98702	100.0
62.98387	0.2
69.19167	1.1
69.20061	0.1
71.01250	0.2
80.96421	0.2
89.02311	0.2
98.20607	0.2
101.02341	0.2
125.09692	0.1
128.03448	0.1
171.10263	0.1
209.11784	0.2
292.19968	0.2
409.40619	0.1
547.89868	0.1
606.32782	0.2
607.25024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24242	0.3
56.73380	0.3
59.01249	1.6
61.98705	100.0
62.06711	0.3
67.29909	0.4
69.18718	0.9
69.19139	2.7
71.01262	1.2
78.95763	0.3
80.96407	0.7
89.02319	0.3
92.85757	0.3
97.02835	0.8
101.02332	0.5
113.02360	0.6
114.79849	0.3
138.48541	0.4
171.10263	0.6
209.11911	0.4
253.09349	1.3
254.09657	0.6
292.20123	0.5
309.20953	1.7
310.21103	2.4
327.19717	0.4
343.18933	0.4
459.25748	0.4
607.26587	2.2
624.22827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	5.4
57.03315	5.8
58.00454	3.7
59.01255	34.5
60.10176	3.9
62.06992	3.9
71.01250	57.7
71.18695	6.3
73.02824	22.8
83.01252	14.7
85.02834	23.0
87.00734	7.4
89.02320	12.2
97.02859	6.7
99.00745	7.2
101.02323	38.4
113.02329	21.4
125.02335	9.9
127.57151	3.4
128.03365	4.2
143.04420	3.6
159.02919	7.3
161.04498	18.1
205.90369	4.1
226.98613	4.2
269.10257	31.5
306.07623	3.9
401.14542	5.1
415.16061	92.8
416.16165	11.9
445.07312	5.6
547.20099	100.0
548.21143	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	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.98703	100.0
62.98405	0.2
62.99131	0.1
69.19232	0.8
69.37112	0.1
71.94122	0.1
86.49876	0.1
130.71068	0.1
139.61696	0.1
145.89815	0.1
159.50989	0.1
171.60632	0.1
183.38995	0.1
200.40387	0.1
214.39789	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	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74250	0.2
57.77871	0.2
59.01244	0.4
59.85009	0.2
61.98703	100.0
69.25022	1.3
69.25443	0.4
75.00750	0.3
78.95856	0.2
108.02064	1.3
109.02836	0.9
109.06431	0.2
119.94099	0.2
136.78264	0.2
152.01039	1.0
209.11838	0.2
253.09415	0.2
292.33377	0.2
319.56308	0.2
335.79001	0.2
607.27478	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	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
59.59323	0.1
61.98703	100.0
62.82932	0.2
63.57356	0.2
65.82108	0.1
69.21785	0.6
69.22209	1.1
70.13896	0.2
71.01265	0.4
79.95625	0.3
80.96385	1.6
85.02831	0.2
86.60037	0.2
94.97961	0.4
106.75934	0.2
127.78220	0.2
152.98529	0.2
164.98576	0.2
183.13864	0.2
209.11841	0.2
225.00801	0.4
227.12869	0.3
290.14191	0.2
405.95578	0.2
495.45520	0.2
607.24182	3.0
616.58459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58824	0.1
59.01255	0.2
59.24952	0.1
61.98702	100.0
62.98408	0.2
63.47239	0.1
68.91307	0.1
69.27107	0.2
69.27460	1.3
69.75661	0.1
71.01237	0.1
71.15099	0.1
74.89490	0.1
75.00726	0.3
80.96381	0.3
98.15205	0.1
100.81032	0.1
133.02406	0.1
223.13429	0.3
266.09015	0.1
290.18430	0.1
418.22482	0.2
607.25037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
61.98703	100.0
62.98400	0.1
62.99134	0.1
63.29670	0.1
69.27097	0.3
69.27526	0.3
71.01264	0.3
73.02814	0.1
78.98473	0.2
79.95604	0.6
80.96392	2.6
85.02825	0.2
87.00772	0.2
89.02351	0.1
94.97968	0.6
96.95882	0.1
98.20494	0.1
101.02366	0.1
106.97996	0.1
120.44452	0.1
122.97485	0.2
125.02389	0.1
134.97455	0.1
148.99091	0.2
152.98553	0.2
164.98512	0.4
165.12759	0.1
165.73451	0.1
171.10255	0.1
177.27972	0.1
206.99606	0.1
209.11813	0.1
225.00708	0.7
227.12904	0.2
253.09431	0.2
290.18481	0.1
299.04538	0.1
311.22272	0.5
480.75079	0.1
488.41818	0.1
607.24329	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	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.2
59.06887	0.1
61.98703	100.0
62.98409	0.2
69.27486	0.8
71.01256	0.2
79.95620	0.2
80.96387	1.3
87.00762	0.1
94.97991	0.3
101.02323	0.2
106.57067	0.1
148.99068	0.1
152.98529	0.1
164.98589	0.2
209.11859	0.1
225.00833	0.3
226.94159	0.1
227.12811	0.2
253.09303	0.2
290.18570	0.2
309.19708	0.1
311.22382	0.3
531.75537	0.1
607.24377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55779	1.4
55.61547	1.1
58.85976	1.2
59.01252	24.2
61.36771	1.1
61.98706	15.6
65.24619	1.4
66.76743	1.3
69.20605	7.5
69.21030	3.5
71.01260	7.3
73.02798	1.6
75.00744	2.8
81.03332	2.0
83.01259	4.6
83.04881	2.7
89.02317	5.1
95.88867	1.1
101.02338	7.2
113.02317	1.6
123.08015	1.4
125.09624	4.7
139.11128	2.5
161.04434	2.3
163.11188	3.8
165.12773	8.6
167.10727	1.6
171.10188	1.2
179.05441	1.5
181.12274	2.2
183.13736	1.4
191.10736	1.5
193.15999	1.8
209.11778	30.8
229.72307	1.3
247.20639	6.5
253.09245	34.8
254.09622	1.3
260.57547	1.3
265.21707	4.3
273.18491	2.3
291.19662	51.0
292.20041	3.8
309.20706	100.0
310.21140	8.5
311.22131	2.0
323.22195	3.6
348.44003	1.5
354.28217	1.5
445.20905	2.5
545.29443	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.8
59.94672	1.4
61.98701	100.0
71.01241	5.6
71.52393	2.3
73.02825	1.7
75.00742	9.1
83.01286	2.1
85.02833	2.1
89.02330	4.8
96.12315	1.2
101.02319	5.9
113.02343	2.5
125.09639	3.0
145.56789	1.1
161.04512	2.8
163.11183	2.9
165.12738	6.0
181.12178	1.5
193.15857	3.4
198.70226	1.3
207.10211	1.7
209.11765	13.4
210.12051	1.5
211.13388	1.5
246.94446	1.3
247.20570	6.3
253.09273	17.0
265.21799	1.8
273.18451	1.6
291.19678	42.4
292.20145	3.2
302.15918	1.2
309.20715	55.1
310.21155	5.6
311.30255	1.4
408.16660	1.3
545.28656	1.9
631.65033	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65730	4.1
59.01243	26.8
71.01244	11.0
71.39905	8.8
89.02309	10.3
97.02841	11.1
101.02332	7.7
107.83404	4.4
113.02344	8.7
141.35287	4.1
161.04468	8.3
165.12709	11.2
171.10194	12.9
227.12769	8.5
253.09245	50.8
291.19662	65.3
309.20673	100.0
310.21002	13.0
499.71225	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.5
59.07875	3.3
61.98702	100.0
63.11273	3.2
69.46732	24.1
70.53127	3.8
71.01243	9.3
72.99190	5.1
73.02831	4.1
80.96390	4.3
81.03335	3.7
101.02297	3.7
110.99824	3.2
119.07839	3.2
132.15848	3.7
164.22757	3.0
171.10178	5.6
185.11775	6.4
199.13268	3.6
207.92226	3.3
211.13347	28.9
253.09267	18.1
257.23798	4.3
271.50150	3.4
272.03479	4.6
291.19669	44.2
309.20660	6.9
430.79172	3.8
527.28558	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82098	1.3
57.03308	2.8
58.00456	3.8
59.01250	100.0
60.01596	2.0
61.98708	9.8
69.03297	1.7
69.32999	1.5
71.01252	58.4
72.99171	9.1
73.02818	23.5
75.00721	2.5
78.95753	1.7
80.96396	3.5
83.01247	10.6
85.02819	19.9
87.00755	12.4
87.04375	2.7
89.02318	41.9
95.01260	3.5
96.95909	4.6
97.02843	2.9
98.20537	4.3
99.00752	4.2
101.02319	65.2
103.03891	16.7
106.47405	1.5
113.02330	16.1
115.03877	3.8
118.30468	1.5
119.03387	19.8
125.02325	6.5
131.03333	8.1
143.03394	13.5
145.04942	6.0
159.10161	6.3
161.04428	5.5
163.06029	43.4
179.05510	6.2
181.96359	1.4
203.84290	1.5
205.05219	2.4
205.07082	20.8
209.11761	6.4
211.13560	1.7
265.09250	2.3
342.18744	1.6
399.23828	43.1
400.24109	5.2
545.29663	88.0
546.29785	16.0
605.22034	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64328	2.7
52.85545	2.3
58.38163	2.5
59.01244	12.5
61.77927	2.3
61.98702	100.0
71.01244	6.4
71.52376	3.2
78.95767	2.4
85.32286	3.2
89.02303	4.4
101.02323	4.8
102.04450	2.5
128.03423	3.4
209.11610	2.6
211.13280	3.4
227.24275	3.2
253.09233	6.9
291.19662	8.9
306.07593	3.0
309.20694	22.3
310.21039	3.3
545.29620	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38517	3.9
59.01242	11.5
71.01255	5.8
71.39995	9.6
91.05055	4.3
115.43212	4.1
121.14565	4.4
147.43124	4.4
161.00385	6.3
191.43364	4.4
197.11720	4.7
216.50444	4.6
240.04233	4.4
247.20599	8.6
250.55199	5.6
253.09319	29.7
255.83441	4.6
291.19672	70.1
292.20041	8.4
309.20700	100.0
310.21014	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	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.39660	0.3
58.44569	0.2
60.95384	0.3
61.82607	0.3
67.58567	0.3
71.00256	0.5
82.93568	0.3
106.06540	0.3
111.31604	0.3
121.46356	0.3
124.42388	0.3
146.56799	0.3
146.80070	0.3
290.38062	0.3
401.17657	0.4
415.15656	1.2
416.16391	0.8
428.16302	0.5
429.17209	1.1
430.17883	1.3
431.18408	0.6
441.20889	0.3
443.18979	0.5
444.18900	0.8
445.20264	0.3
457.20789	2.1
458.21292	0.6
459.17743	3.3
460.18359	0.3
461.23477	0.6
470.21948	0.5
471.17941	1.6
472.18896	1.0
473.19672	5.8
474.20370	1.5
475.21811	0.4
485.19623	2.2
485.23987	1.4
486.20691	4.8
487.21689	1.3
488.22028	0.4
496.18973	0.7
499.17661	2.6
500.17651	0.3
501.22824	2.5
502.20154	0.6
504.17923	0.5
510.20020	0.3
511.21298	2.3
512.21625	0.3
513.19189	2.9
514.20068	8.8
515.20618	2.3
517.18945	0.6
518.19714	1.6
519.19446	0.4
528.21429	0.7
529.22430	100.0
530.22766	20.0
532.21240	1.6
533.22003	2.5
534.22198	0.4
561.25104	1.1
573.21381	0.8
605.24188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93943	0.5
59.10452	0.5
71.23074	0.8
89.74092	0.4
89.80296	0.5
106.06500	0.5
124.36970	0.5
157.74065	0.5
264.13364	0.6
395.07242	0.5
415.15723	1.1
429.17233	1.5
430.17859	1.3
443.19067	0.7
455.19241	0.6
457.20334	1.5
459.17514	3.0
470.21158	0.6
471.18372	1.7
472.18887	0.7
473.19669	5.0
474.20114	1.4
485.19699	2.3
485.24643	0.6
486.20679	3.6
487.21320	1.5
496.19077	0.8
499.17841	2.3
501.22800	2.2
511.21060	2.4
513.19153	2.3
514.20068	8.8
515.20178	1.4
517.18768	1.0
518.19464	1.5
528.21570	0.9
529.22443	100.0
530.22766	20.0
532.20972	1.8
533.21704	1.7
561.23901	0.5
573.21082	1.5
605.24158	1.5
605.44507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74367	1.6
93.03324	3.6
98.20657	3.6
105.21308	1.7
137.02327	4.8
149.02242	1.8
207.26379	1.6
211.03976	2.8
227.03371	3.7
229.73662	2.0
230.47490	1.8
254.02267	2.4
255.02957	9.2
259.02457	2.8
271.02515	2.9
273.04071	4.1
283.02454	100.0
284.02716	10.2
285.03827	1.8
301.03564	9.3
313.03598	3.7
325.03433	4.0
331.04492	5.7
403.06744	24.3
404.06873	3.2
421.07501	3.3
541.09869	48.5
542.10260	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62944	0.3
56.76577	0.4
59.01255	3.1
60.99190	2.1
62.20841	0.4
63.33696	0.4
71.01247	0.7
76.43621	0.3
78.95808	0.5
80.96369	0.4
87.00756	7.3
88.00286	7.5
88.01126	1.1
88.98682	11.3
89.02319	100.0
90.02668	1.5
91.69978	0.4
164.64395	0.4
171.10254	0.5
180.79781	0.4
277.21762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76757	0.8
59.01249	1.8
60.99179	8.0
69.27735	0.9
70.32150	2.8
70.32526	1.4
76.53623	0.9
78.95778	1.8
87.00756	7.2
88.00282	10.1
88.98682	41.6
89.02317	100.0
118.86891	1.0
130.24571	0.8
131.89772	0.8
142.08412	0.8
152.99471	1.1
171.10156	1.9
242.35495	0.8
265.47809	1.0
295.22778	1.1
391.21866	1.0
453.59570	0.9
633.91357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.5
59.01254	29.2
62.87533	1.7
71.01259	5.7
71.52034	1.6
76.42308	1.4
78.95773	1.6
87.00772	1.4
89.02328	4.1
101.02322	4.2
113.02343	2.0
119.03381	1.9
128.03448	2.4
161.04486	2.7
179.14316	3.5
205.15849	2.8
223.13292	6.6
231.21117	1.8
235.08208	3.3
253.09250	26.6
275.20160	34.4
276.20627	2.1
295.71088	1.8
306.07730	2.1
307.22787	100.0
308.23053	13.0
381.15207	1.5
406.00262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.9
61.98702	45.7
68.13922	2.9
71.01247	13.3
71.52164	5.0
72.99180	17.7
73.02817	3.7
89.02329	8.3
96.95915	3.5
101.02316	5.3
113.02348	6.9
121.02846	3.2
125.09619	4.4
137.09544	3.7
161.04544	3.9
163.11162	7.5
165.12814	3.9
169.00761	2.7
171.10178	9.7
185.11729	7.4
190.82428	2.9
191.14380	10.0
225.11238	5.2
245.19023	16.7
253.09317	33.0
287.01996	3.5
289.18094	100.0
290.18503	6.3
293.21222	3.6
301.03207	4.2
303.12286	3.5
307.19098	48.2
308.19391	3.8
380.58124	3.4
585.29535	4.5
603.29871	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	601.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92318	0.4
59.01229	0.9
59.78480	0.4
87.00753	100.0
88.00285	8.9
88.01102	1.2
88.03915	0.7
92.21336	0.4
116.34579	0.4
151.37823	0.4
168.35492	0.4
277.21683	3.7
278.22171	0.5
346.62503	0.4
360.91733	0.4
388.77991	0.4
474.80984	0.4
568.93488	0.5
570.66156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65191	0.2
59.01256	0.3
61.98698	0.4
69.37571	0.6
69.37981	1.1
73.02805	0.4
94.02744	0.2
96.95889	0.3
109.02861	0.2
132.29378	0.2
135.08032	0.2
137.09604	0.7
148.01680	0.2
151.00290	0.2
155.10686	11.2
156.11015	0.6
167.04988	0.2
175.00255	0.6
183.04440	2.1
185.02406	0.6
187.03830	0.2
199.03922	0.6
199.09703	5.9
200.09888	0.2
204.84589	0.2
209.02478	0.4
211.03928	2.8
213.01888	0.3
215.03523	0.3
225.58286	0.2
226.02724	0.3
227.03455	4.8
228.03801	0.4
237.01881	0.3
238.02716	1.0
239.03462	1.2
239.05452	0.2
241.05182	0.3
248.82777	0.2
253.01392	0.2
254.02209	1.0
255.02968	7.1
256.03351	0.7
258.01736	0.8
259.02429	1.1
266.02225	0.8
267.02991	0.6
271.02466	2.0
272.03253	1.8
273.03903	0.4
281.04575	0.4
282.01636	0.6
283.02472	100.0
284.02814	8.8
285.03943	1.3
296.03082	1.0
297.04068	1.3
298.01205	0.7
299.01877	0.3
301.03586	0.8
311.01859	0.4
313.03494	1.3
325.03491	4.3
326.03726	0.4
331.04684	0.5
355.04547	0.4
385.05502	0.3
403.06696	29.3
404.07043	3.0
455.13544	1.5
456.13834	0.3
471.28232	0.2
483.12936	6.0
484.13483	0.6
513.13928	0.4
585.15204	0.3
603.17175	16.1
604.17474	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	601.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
58.00452	0.4
59.01249	6.4
60.49500	0.2
61.98700	0.8
66.58083	0.3
69.03329	0.3
70.85178	0.6
70.85526	0.4
71.01254	5.2
72.99175	0.6
73.02811	1.1
83.01254	0.6
85.02850	1.3
87.00747	0.8
89.02321	4.7
90.93241	0.5
95.01264	0.3
95.04890	0.3
96.87962	0.4
99.00770	0.3
99.47974	0.3
101.02321	5.6
111.08020	0.4
113.02330	2.5
113.09605	0.4
119.03388	1.2
131.03406	0.3
139.03914	0.6
143.03389	0.4
157.39464	0.3
161.04465	2.4
171.10181	6.1
177.16492	0.3
179.05563	0.7
179.14308	0.8
183.13829	1.0
185.11816	0.4
195.13821	8.8
196.14285	0.5
197.11720	0.5
205.12257	0.6
205.15996	0.7
211.11470	0.5
211.13327	6.2
223.13336	5.3
224.13844	0.5
228.13710	0.3
235.08218	0.5
253.09259	32.7
254.09738	1.3
256.13046	0.9
265.21741	0.6
271.47256	0.3
274.70349	0.3
275.20139	7.0
276.20389	0.5
293.21216	100.0
294.21536	9.2
366.18350	0.3
366.22845	0.6
430.23169	0.3
461.79095	0.3
492.22437	1.4
509.34711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00028	1.7
53.38862	1.7
59.01254	19.4
61.98699	9.9
68.22137	1.7
71.01255	12.3
71.04908	4.3
71.52091	2.6
73.02783	2.1
85.02834	2.5
89.02312	8.3
93.03320	2.4
95.04931	3.5
101.02317	8.5
102.05499	1.9
107.25211	2.2
109.06465	2.8
113.02334	5.2
161.04390	3.5
171.10185	41.2
172.09157	2.1
172.10507	4.4
183.13805	2.5
185.11728	2.2
189.12746	2.3
195.13843	6.8
205.15910	3.1
211.13344	37.4
223.13304	7.8
233.15503	2.5
235.08328	3.1
243.17500	2.7
249.14893	2.3
253.09264	47.4
253.11874	2.7
254.09904	2.2
275.20117	7.9
287.16531	20.3
293.21228	100.0
294.21671	10.7
305.17596	43.5
306.17969	4.5
447.22260	2.3
601.29224	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	600.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
60.35706	0.3
61.98703	100.0
67.16078	0.3
71.01253	1.1
72.73061	0.3
73.02831	0.4
74.15985	0.3
85.02870	0.4
89.02317	0.5
95.16171	0.3
96.95868	0.3
98.19814	0.6
101.02357	0.5
109.02874	0.4
112.82924	0.4
129.63351	0.3
134.41965	0.3
137.02295	0.3
139.00356	0.3
169.32988	0.4
171.10188	1.3
197.11714	0.4
209.11852	1.0
221.37910	0.3
253.09338	0.6
283.02487	0.7
301.03674	0.4
307.19217	0.6
308.19467	0.7
325.20407	0.5
403.06610	0.5
492.24039	0.4
526.39008	0.3
544.28827	0.4
562.29456	0.5
600.27557	0.4
601.29315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50351	1.0
52.44357	0.9
59.01259	4.8
61.98703	12.1
67.83660	0.8
68.33832	0.9
69.36354	7.7
71.01254	1.8
71.94876	0.9
86.46078	1.1
93.03339	3.3
95.01254	1.0
96.95874	2.1
100.20920	0.9
108.02055	2.6
109.02855	1.2
113.57173	1.0
121.02842	4.7
122.03635	10.0
123.04399	1.9
124.01585	2.0
125.02346	1.1
129.01855	1.1
133.02888	1.7
135.04422	3.0
136.01575	2.7
137.02376	1.4
147.04437	1.0
148.01645	1.0
149.01144	0.6
149.02348	19.3
150.03134	58.0
151.00354	2.4
151.03796	4.3
153.09113	11.7
160.05223	1.6
161.02348	2.3
161.05978	2.3
163.03915	1.0
163.96692	1.0
164.04707	3.5
165.05490	64.5
166.02626	4.5
166.05803	3.2
167.03409	2.5
172.05193	3.8
173.02483	1.1
175.03944	2.6
176.04662	1.2
179.03342	2.5
180.04205	3.7
181.04976	8.2
181.69679	1.0
183.04385	2.2
189.05486	7.1
190.06311	7.6
194.05733	1.4
195.06561	39.3
196.06879	1.8
197.08122	3.7
205.08623	2.4
209.08095	2.2
211.03932	2.4
221.08095	2.4
227.03490	4.6
232.09140	1.0
238.02617	1.4
239.03415	1.6
255.02992	7.2
266.05814	1.3
267.03018	1.2
269.04333	1.1
271.02493	2.1
272.03156	1.5
273.03943	1.0
281.04480	0.9
282.05237	2.5
283.02487	100.0
284.02814	9.6
285.03937	2.2
294.05701	1.5
296.03336	1.3
297.04044	1.7
297.07559	2.5
299.01932	1.4
300.02695	1.1
301.03458	3.6
309.07645	2.0
311.09305	1.1
312.10049	2.1
313.03485	2.8
324.10065	1.7
325.03552	3.1
326.11447	1.3
327.12299	2.6
329.10306	3.4
331.04407	1.3
342.11234	4.8
343.11807	2.9
356.12689	1.6
357.13422	28.3
358.13892	2.9
387.14517	7.8
403.06720	34.7
404.07031	3.3
421.08084	1.7
451.47260	1.1
481.11536	4.8
482.12180	1.3
505.18466	5.7
517.18628	1.5
535.19733	26.6
535.27881	1.3
536.20239	5.8
553.20605	3.0
583.22284	8.1
584.22168	1.6
601.15228	17.2
602.16168	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	598.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	8.3
59.01253	1.3
61.98707	2.8
67.40750	0.6
69.43271	2.2
69.43689	1.7
70.02844	0.8
70.88091	0.5
71.01249	1.8
72.00780	1.1
73.00919	0.5
74.02345	17.5
74.53412	0.6
81.04459	0.7
82.02853	1.9
84.04383	0.5
85.02820	0.9
86.02350	6.7
86.06001	1.2
86.98983	1.4
87.05535	4.2
90.00066	1.4
97.03955	1.4
99.05520	13.6
100.00282	0.7
101.02315	0.7
101.07081	2.2
102.05477	2.7
107.06019	1.0
109.03965	3.4
111.05527	1.7
112.03927	2.4
113.03477	0.8
113.07086	0.5
116.01622	1.4
123.05576	1.4
124.03933	1.3
125.03471	1.6
127.05025	3.3
128.03432	39.5
129.03795	1.1
131.04578	0.6
135.05534	4.3
137.07169	0.7
141.06609	3.7
142.89197	0.6
143.04526	52.0
143.79491	0.6
144.04897	1.0
144.44832	0.5
145.06085	2.4
146.04500	5.7
149.07164	0.6
153.06621	3.7
155.08195	0.8
160.00653	15.1
161.00902	1.0
166.09746	1.9
167.04549	4.2
167.08134	2.4
170.03258	0.8
171.04080	1.2
171.07719	0.7
171.10226	1.5
177.03319	6.6
179.04550	11.7
181.06128	0.9
184.10854	0.9
185.05533	1.3
192.07727	0.8
197.05624	1.8
209.11795	1.3
210.08795	11.6
213.03354	0.7
228.09853	1.0
242.07909	0.7
253.09239	0.7
254.07811	19.8
272.08881	34.2
273.09186	2.4
288.06592	10.7
289.07062	0.7
291.19699	1.0
300.02850	0.6
300.15585	0.6
306.07651	100.0
307.08011	6.1
327.21783	1.0
400.33112	0.6
469.24286	0.8
598.28027	7.4
599.27301	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	599.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49899	1.8
69.44034	17.8
72.47753	2.0
105.21688	2.1
107.25934	2.0
118.02333	2.0
123.00771	2.4
125.02389	5.1
137.02341	3.3
139.44594	2.0
141.80789	2.0
151.00314	3.7
165.01848	7.1
192.17610	2.1
227.03476	4.0
231.02885	2.9
243.02882	3.7
245.00945	5.5
258.01703	3.8
259.02475	7.0
271.02512	12.1
272.03189	3.6
273.00409	8.3
273.03702	2.9
274.01144	21.0
275.01938	9.3
286.01346	4.0
287.02014	15.9
288.02719	28.9
289.03253	3.1
299.02069	5.8
301.00229	3.2
301.03586	8.6
303.01459	7.7
315.01733	2.4
316.02359	10.7
317.02985	26.6
320.01669	2.6
329.03082	6.0
346.03317	5.9
347.03961	11.9
359.04147	3.0
419.06116	12.4
421.07922	2.7
436.06497	8.6
437.07150	29.8
479.08282	25.7
480.08701	4.7
509.09369	9.5
599.12555	100.0
600.12946	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	598.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86166	1.2
56.83567	1.0
62.78730	1.1
65.99729	1.1
67.01762	1.3
70.29040	1.0
71.01260	1.6
71.51969	1.4
82.43011	1.0
87.53085	1.0
93.03345	7.7
94.59084	1.2
95.01250	6.6
107.01263	4.3
109.02837	16.9
118.02859	1.5
123.00783	3.4
125.02325	3.2
131.01283	3.8
131.03693	1.3
132.04460	6.2
137.02332	17.1
146.02364	2.2
148.01567	2.6
149.02290	3.1
150.05472	4.9
151.00258	22.7
151.01369	1.9
151.03932	1.9
153.01843	1.3
156.94518	1.2
161.02359	3.5
162.01833	2.5
163.00316	2.1
164.03439	4.7
165.01949	1.3
169.01324	2.0
175.00262	9.1
176.03494	1.8
179.03453	1.8
183.04417	4.1
185.02283	1.9
188.03429	12.5
190.01387	5.1
193.01378	2.7
194.04495	3.1
201.05568	1.5
206.04503	3.2
211.03935	2.7
213.01843	1.5
214.01309	3.2
217.01344	1.8
226.02660	1.6
227.03459	7.6
229.01334	1.9
230.04549	1.8
239.03372	2.8
243.03030	2.8
251.03557	2.6
253.01430	2.8
254.02057	3.2
254.04541	2.1
255.02971	17.2
256.03329	2.0
258.01614	2.5
259.02493	4.2
267.02988	3.5
271.02399	5.9
272.03168	3.8
273.04031	4.7
274.01147	4.8
275.02057	2.0
281.01108	2.1
282.01654	21.5
283.02463	100.0
284.02917	8.8
285.03815	3.4
287.01855	3.8
295.02414	13.1
296.02615	2.3
297.03632	5.5
298.03583	11.0
299.01901	13.1
300.02393	4.5
301.03485	11.5
308.07736	4.7
313.03503	3.8
316.04556	1.6
317.02997	1.9
322.03568	25.0
323.03955	2.4
329.03107	1.3
331.04462	6.1
339.42523	1.2
340.04605	40.1
341.04962	3.1
351.52728	1.1
358.05579	8.1
370.05869	2.0
388.06067	1.9
393.08243	1.6
403.06702	35.5
404.06952	4.5
419.06067	4.7
420.06308	1.9
421.07748	16.9
421.87512	1.2
424.06720	1.4
437.07037	3.1
442.07703	19.1
443.08105	2.1
446.11212	2.1
460.08878	27.0
461.08932	2.3
478.08475	7.2
479.09161	1.4
540.09375	1.3
557.09216	3.9
580.11121	14.3
581.11243	1.8
598.11969	14.7
599.11450	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	597.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62416	0.5
50.75381	0.5
55.01761	1.5
57.03326	1.6
58.00462	0.8
59.01252	17.1
61.98700	2.9
64.14471	0.5
69.03322	1.1
69.71204	0.6
71.01257	21.6
71.04880	1.0
71.51719	0.6
72.99177	2.3
73.02818	9.9
75.00760	3.5
83.01261	4.6
85.02827	9.0
87.00764	2.5
89.02322	8.9
95.01262	1.3
97.02837	1.4
99.00743	5.6
99.08038	1.2
101.02319	19.6
109.02824	0.8
111.00731	1.5
113.02342	6.5
113.09595	0.6
115.03912	1.5
119.03413	0.7
125.02347	2.1
131.03406	1.4
135.04396	1.4
137.02292	0.7
141.09184	0.6
143.03391	0.9
143.10680	1.7
151.00334	0.6
151.64450	0.6
152.01089	0.7
155.10649	0.7
159.02878	1.0
161.04457	2.2
165.01855	2.6
167.03358	1.8
175.00319	1.7
177.01820	1.7
180.04193	3.6
188.15147	0.7
192.04117	0.8
193.01184	0.8
195.06525	4.5
199.13336	9.8
201.81393	0.6
207.06577	1.8
210.05315	0.7
225.07616	3.6
257.21259	0.9
259.02518	0.6
269.00864	2.7
272.03275	0.7
283.02393	4.4
284.03119	0.9
285.20731	5.1
297.00354	3.0
298.00803	0.6
303.21759	3.4
327.21741	0.7
397.13672	2.8
415.14514	1.2
417.04791	2.4
429.25281	0.8
447.26025	12.2
448.26563	1.6
465.27191	5.5
480.29022	0.7
492.87674	0.7
579.30200	16.7
580.30518	2.4
597.31268	100.0
598.31610	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	597.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25152	0.6
50.46238	0.6
55.01793	1.8
57.03349	1.3
58.00505	0.6
59.01251	20.0
61.98708	4.2
69.03386	0.7
69.28593	3.4
69.29008	1.2
71.01253	19.3
72.99226	1.7
73.02819	9.1
75.00791	2.0
79.05173	0.7
81.03336	3.6
83.01260	3.5
83.04908	9.1
83.05376	0.7
85.02822	9.1
85.27316	0.5
87.00788	1.7
89.02316	7.2
95.01301	1.7
96.95934	0.9
97.02882	1.5
99.00755	5.1
100.07591	1.5
101.02325	17.5
101.27434	0.5
108.02115	1.5
109.02901	1.3
111.00774	1.2
111.28173	0.5
113.02332	7.6
115.03892	0.7
119.03451	1.0
121.02958	0.6
123.04474	0.6
125.02370	1.7
129.80162	0.7
131.03416	1.2
134.03635	6.3
136.01645	0.6
137.02351	0.7
139.03876	0.5
143.03410	1.2
149.06038	0.8
151.00249	0.8
152.01021	2.8
155.04944	0.6
159.02957	0.8
161.04443	3.2
167.03403	5.6
175.00272	0.7
181.05133	0.9
183.04523	2.6
193.05013	1.0
199.03914	1.4
199.13332	3.2
199.18210	1.4
211.03857	3.0
215.03461	0.7
225.16026	2.0
226.75883	0.6
227.03456	6.7
233.06592	0.7
238.02681	1.7
239.03360	1.2
243.17096	5.4
243.19670	1.7
254.02167	0.8
255.02950	9.2
256.03217	1.4
258.01672	1.4
259.02454	3.2
266.02228	1.1
267.03024	1.4
268.03763	1.0
271.02469	4.0
272.03070	2.8
273.03979	6.3
281.04425	0.6
282.01776	0.9
283.02472	100.0
284.02829	8.2
285.04071	2.3
296.03192	2.4
297.03961	2.4
301.03513	15.9
302.03766	1.1
303.21594	1.0
309.04001	1.7
313.03436	2.6
316.82654	0.6
325.03497	5.0
326.03906	0.7
331.04608	7.8
332.04861	1.2
342.11032	0.9
353.20584	1.3
355.04272	0.7
357.13528	5.2
387.14554	0.8
403.06671	17.9
404.06699	2.3
405.24905	3.7
417.05881	1.6
421.07712	10.7
422.07892	1.6
429.08173	1.0
433.09216	6.0
434.09619	1.0
449.65900	0.7
469.03735	0.6
469.33966	5.1
477.07852	5.3
477.12796	0.8
478.08533	1.0
507.13770	0.8
537.29315	4.3
538.28705	1.0
553.13318	8.0
554.13397	1.6
557.16827	0.6
571.60974	0.6
579.11279	0.9
579.29987	4.2
597.12134	25.0
597.30829	87.2
597.38818	20.0
598.12500	5.6
598.31317	14.7
598.39252	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	597.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86274	0.4
55.01741	1.0
57.03305	1.2
58.00467	0.8
59.00959	0.7
59.01248	8.9
61.98701	1.5
63.72820	0.4
68.53910	0.4
68.99690	0.4
69.03309	0.5
71.01251	10.2
72.99177	3.3
73.02828	4.1
75.00747	4.1
79.50744	0.4
83.01255	1.3
84.02047	0.4
85.02836	4.1
87.00755	2.1
87.87508	0.4
89.02313	4.8
95.01237	1.0
97.02824	1.1
97.16559	0.4
99.00786	3.0
101.02326	6.6
111.00773	0.6
113.02328	2.8
119.03395	1.2
121.94389	0.4
125.02345	0.9
134.03624	1.0
137.72688	0.4
165.01799	1.4
167.03320	0.5
177.01897	0.8
179.03400	0.6
180.04198	2.4
191.05539	0.9
193.04918	0.7
194.05618	0.5
195.02884	0.4
195.06586	2.7
199.13329	1.1
207.06541	0.8
209.04451	0.5
209.08089	1.0
225.07680	2.2
239.16455	0.6
255.03006	0.6
255.19615	1.0
257.17496	2.5
271.19131	0.7
282.01779	0.4
283.02499	6.5
283.19019	0.8
284.02835	1.0
285.20657	4.9
301.03580	0.5
303.21759	33.6
304.22205	2.3
307.60086	0.4
315.21655	0.6
384.06937	0.5
397.13376	0.6
403.06836	1.8
404.06815	0.6
435.16730	1.3
447.25943	2.4
465.27008	25.3
466.27298	2.6
491.19614	0.5
579.30280	1.0
597.31244	100.0
598.31616	15.6
600.21637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3046
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.96326	1.0
57.00417	1.2
71.52095	1.2
78.95776	70.1
81.99115	1.0
82.18071	1.0
93.63785	1.1
96.96841	11.7
140.24330	1.2
152.99492	100.0
153.99834	1.5
171.00548	2.0
223.00117	8.9
224.00752	1.3
241.01173	26.3
258.81503	1.2
259.02267	1.8
281.24866	68.1
282.25195	7.3
315.04865	19.1
344.23483	1.2
345.41415	1.1
597.30469	90.3
598.30817	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	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54559	0.6
58.94149	0.6
59.01252	1.5
65.00191	1.0
69.03350	0.9
69.38876	1.4
69.39278	4.2
71.01251	3.3
72.99170	0.9
83.01245	0.6
85.02827	2.7
86.47812	0.6
89.39224	0.7
91.01762	3.5
91.71411	0.6
95.01261	1.8
96.03098	0.7
98.19710	1.0
99.00726	0.9
101.02320	1.7
108.02052	49.6
109.02858	18.8
113.02345	2.1
117.66904	0.6
121.02847	8.5
123.00791	1.4
123.04412	12.2
125.02312	1.0
133.02826	0.9
134.03627	1.2
135.04422	1.7
151.00308	1.3
151.03912	0.9
152.01057	100.0
153.01848	25.4
154.02214	1.2
161.02382	0.8
161.04416	1.3
163.03914	4.5
166.02684	1.0
167.03419	22.3
168.03738	0.9
176.21819	0.7
177.01810	1.0
178.66791	0.6
181.05045	1.9
187.98563	0.8
207.03036	1.3
209.04468	7.4
233.27411	0.7
264.46692	0.8
274.58987	0.7
315.07156	1.7
399.14780	0.9
419.19669	0.8
429.10400	21.1
430.10699	2.1
447.11401	9.9
597.14587	86.3
598.14929	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	64.4
61.98713	7.9
63.74118	4.8
71.01248	6.0
71.51844	5.3
71.60212	4.3
75.02925	4.2
77.18171	4.7
86.07685	4.2
95.01242	5.0
99.45789	4.9
103.22629	4.8
137.02306	7.0
139.00272	13.4
146.03662	10.9
149.02348	13.2
150.03148	42.7
164.04726	7.2
165.05479	68.3
166.02638	6.1
179.07104	23.8
181.05055	10.9
195.06558	100.0
305.10342	5.0
327.12396	12.7
374.77115	5.3
375.14462	8.7
597.15350	17.7
598.14368	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62686	2.2
58.00463	4.9
59.01253	55.8
59.28547	2.6
61.98698	3.2
71.01251	39.7
71.52135	4.1
72.99187	2.4
75.00726	2.3
85.02816	9.4
87.00747	5.2
89.02309	46.7
95.01286	2.8
101.02325	23.9
107.39214	2.5
110.46486	2.2
113.02313	19.6
115.00258	2.5
119.03384	21.2
121.02825	6.1
131.03342	2.5
149.02324	14.6
149.04465	2.3
151.00307	3.9
151.03897	6.0
152.01019	6.1
161.02342	19.2
165.03952	4.2
166.02655	3.0
168.00568	2.6
176.04726	9.9
177.01854	87.3
178.02191	3.9
179.03416	33.6
179.05525	5.2
185.11713	3.0
192.04222	61.2
193.04605	5.6
194.05759	25.4
207.06554	100.0
208.06969	7.4
209.08125	36.0
210.05328	2.5
210.08499	3.6
225.07550	5.6
283.02585	3.2
284.02798	4.1
313.03461	4.5
335.30432	2.8
433.08084	3.0
597.15131	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	0.5
62.16588	0.5
62.96276	0.5
64.20419	0.4
70.38554	0.6
70.38899	1.7
73.13385	0.5
78.95775	76.4
86.61552	0.5
96.96210	0.8
96.96840	15.8
98.20594	0.6
150.97910	0.8
152.99486	65.0
153.99797	1.3
181.12238	0.9
209.11879	0.6
223.00072	2.2
225.11246	1.6
241.01143	34.0
242.01591	1.1
243.12463	0.9
252.47836	0.6
279.23282	70.8
280.23627	8.1
295.22775	1.4
311.22211	0.7
315.04819	10.8
321.96591	0.6
415.22482	6.3
433.23642	1.0
595.28894	100.0
596.29236	19.1
596.37201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16411	0.2
59.01253	0.2
61.98700	0.4
64.59152	0.2
69.29911	1.6
71.01252	0.5
76.44305	0.2
95.01293	0.3
109.02828	0.8
114.23897	0.2
133.07915	0.2
134.03633	6.7
135.03990	0.4
143.04880	0.4
148.01569	0.6
149.06001	1.6
151.00272	0.8
155.04965	0.6
159.04494	0.2
161.02396	0.2
165.01917	0.3
167.03423	0.3
167.04884	0.3
171.04425	0.4
173.05959	0.3
175.00301	0.8
175.03947	0.2
179.03372	0.3
180.04175	0.3
183.04460	2.8
184.04854	0.3
185.02364	0.7
187.03938	0.5
189.01880	0.2
193.05002	1.1
194.05678	0.2
199.03940	1.2
201.02043	0.3
201.05548	0.3
207.06563	0.2
209.02318	0.4
209.08110	0.2
210.03111	0.4
211.03943	4.0
213.01826	0.4
214.02589	0.3
215.03418	0.6
217.09410	0.2
225.07639	0.3
226.02646	0.3
227.03459	8.5
228.03833	0.6
229.01390	0.3
229.05058	1.0
237.01920	0.8
238.02657	1.8
239.03406	1.8
241.04980	0.3
243.02983	0.4
244.03534	0.2
253.01385	0.3
254.02182	1.5
255.02991	10.4
256.03409	0.7
257.04520	0.4
258.01645	1.6
259.02441	3.0
266.02231	1.3
267.02927	2.4
268.03699	0.9
269.04364	0.6
271.02481	4.4
272.03165	2.2
273.04031	7.9
274.04361	0.5
281.04532	0.6
282.01709	1.0
283.02472	100.0
284.02823	7.6
285.04034	2.5
295.02481	0.4
296.03250	2.6
297.03952	1.9
298.01123	0.7
299.02078	0.5
299.05286	0.3
301.03528	18.0
302.03818	1.5
304.02228	0.7
309.03885	0.6
311.01935	0.6
313.03574	3.0
314.03903	0.2
315.05093	0.4
325.03549	4.8
326.03702	0.4
328.02219	0.5
331.04584	8.4
332.04886	0.8
343.04437	0.5
345.06088	0.2
355.04581	0.3
385.05453	0.3
403.06720	18.8
404.07056	2.0
417.06082	1.1
418.06854	0.7
419.07602	0.5
421.07773	15.9
422.08133	1.3
433.09293	6.5
434.09717	0.9
477.08276	5.9
478.08398	0.8
535.12518	0.5
553.13483	8.4
554.14136	1.4
579.11188	1.3
580.11627	0.3
597.12482	30.9
598.12762	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.50429	0.7
71.28920	1.1
78.95776	62.1
96.96848	12.9
128.19095	0.6
152.99492	100.0
153.99792	2.0
159.24785	0.8
171.00566	2.6
223.00076	10.6
241.01146	30.0
242.01445	0.8
259.02191	1.5
261.92029	0.5
279.23288	63.8
280.23712	5.2
315.01230	1.3
315.04868	17.0
316.05151	0.9
333.05969	0.8
399.97989	0.6
460.37961	0.7
595.28894	86.5
596.29199	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	595.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56446	0.7
55.88480	0.6
59.01255	1.0
61.98667	0.8
63.96115	1.5
69.47849	3.1
69.48251	2.0
71.01261	7.1
73.02814	1.3
78.98470	4.4
79.95603	11.0
80.96390	70.4
84.93948	0.6
85.02816	2.4
87.00750	2.7
94.97964	17.0
97.02811	2.1
101.01715	0.7
101.02314	3.3
106.97956	3.0
109.38068	0.6
122.97474	5.3
125.02295	3.2
128.01797	0.6
134.97475	4.8
136.99074	1.6
148.99068	5.6
152.98543	5.3
164.98547	11.1
182.99591	3.2
195.13823	1.0
206.99625	3.1
225.00705	17.9
243.01820	1.4
295.22629	0.9
299.04361	3.7
575.67419	0.7
595.27917	100.0
596.28229	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	595.2791
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
54.17120	0.5
59.01255	0.8
63.96107	1.2
69.03307	0.6
71.01247	6.2
73.02816	1.7
78.98466	6.5
79.95607	10.5
80.96390	63.8
81.03323	1.1
82.19525	0.5
85.02811	2.7
85.93513	0.4
87.00741	2.9
94.97962	14.2
96.95880	1.2
97.02840	1.6
99.00745	0.5
101.02316	2.9
106.97946	3.2
122.97466	5.3
125.02334	3.0
127.03913	0.9
134.97470	4.7
136.99039	1.1
143.03322	0.5
146.33536	0.4
146.97546	0.4
148.99043	5.4
152.98538	7.7
164.98543	10.6
167.00107	0.5
182.99626	2.6
188.98572	0.5
195.13783	1.2
206.99637	2.7
225.00691	19.2
226.00883	0.5
243.01878	2.1
277.21591	0.5
286.16843	0.5
295.22702	1.5
299.04361	2.3
349.00949	0.4
394.53906	0.5
595.27911	100.0
596.18616	0.8
596.28247	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	595.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09451	0.8
57.03299	1.1
58.00450	1.3
59.01254	19.2
61.98700	1.8
70.53374	1.1
70.53728	2.6
71.01257	12.4
72.12978	0.8
72.99142	1.1
73.02828	1.0
80.04924	3.2
83.01215	1.3
85.02813	2.9
87.00755	2.9
89.02323	8.7
94.06500	3.3
95.01257	1.0
97.01537	1.1
98.19925	0.9
101.02301	6.1
104.04961	0.9
104.41706	0.8
105.59472	0.8
106.06520	1.7
108.04452	1.8
109.05223	1.0
113.02321	3.2
119.03370	2.8
120.04459	4.1
121.05236	7.4
122.06011	13.3
124.07573	16.8
136.03952	1.5
138.61443	0.9
140.07059	1.0
148.03957	37.7
149.04291	1.4
150.05518	11.6
164.07149	1.4
166.04988	1.9
168.06602	6.1
187.12163	0.8
194.04442	1.5
213.10211	1.7
214.10872	1.0
215.08250	1.0
225.06657	1.8
226.07361	2.3
229.09796	4.4
229.13350	1.1
230.10429	1.3
231.11365	14.9
232.11456	1.1
239.08171	2.3
240.08966	3.3
241.09766	1.6
243.07742	1.4
243.11342	1.8
244.12097	2.7
245.12660	1.0
255.11392	42.0
256.11646	4.5
257.09268	2.9
259.10986	1.2
272.11673	5.4
273.12479	21.5
274.12869	2.1
275.10321	2.4
328.10382	2.9
369.96234	1.0
372.09070	1.1
411.17038	1.1
416.12112	1.1
435.17856	9.5
453.18793	39.2
454.19012	5.5
475.12494	0.9
479.16794	6.8
496.17163	2.5
497.17773	100.0
498.18033	13.4
551.25983	1.6
595.16595	1.2
595.25055	17.4
596.25299	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	595.2036
Annotation	Staunoside C
Peak:m/z	Relative Intensity
59.01253	25.4
61.98697	1.0
70.91522	2.3
71.01265	4.4
71.08497	1.0
72.15406	0.9
72.99172	1.8
75.00751	12.2
78.50458	1.1
85.02814	1.5
89.02325	3.4
93.03322	1.2
97.06487	1.0
99.08031	1.0
101.02354	2.6
108.02039	2.9
109.02839	1.9
113.02333	1.5
119.03392	1.8
121.02853	1.6
123.00800	1.1
123.04414	3.9
124.01585	2.2
134.03636	2.9
135.04446	1.6
136.01564	19.0
137.02344	3.4
138.03139	1.9
138.77350	1.0
139.03891	2.6
146.03618	1.5
147.04411	2.6
148.60835	1.3
149.02382	2.1
149.06000	3.4
151.00363	1.3
151.03917	20.7
152.01059	36.2
152.04276	1.3
153.01750	3.8
159.04411	4.4
160.01550	1.9
160.05142	2.0
161.02370	2.4
161.05974	2.0
162.03194	1.4
163.03885	1.2
165.01851	4.3
166.02600	5.1
167.03412	50.8
168.03789	1.9
175.03961	3.3
175.07582	2.2
176.04691	4.8
178.02669	1.6
179.07068	2.0
180.04199	9.5
181.04997	7.8
187.03976	1.1
188.04744	3.5
189.05359	1.7
191.03415	2.0
191.07040	2.9
195.06570	2.1
203.07031	1.7
204.04176	1.1
205.04880	1.2
206.05775	4.1
221.08133	2.8
267.06628	2.5
277.05255	1.5
278.05844	1.6
279.06519	2.1
283.02444	4.2
283.05997	2.4
285.03278	1.1
293.08118	1.5
294.09100	1.5
295.06180	5.2
298.08417	1.3
301.03583	1.2
309.07712	1.6
310.08472	9.9
311.08960	3.3
312.10135	1.3
313.06943	1.5
313.10788	3.2
315.01309	2.0
316.89600	1.1
325.10739	10.7
326.11240	1.3
327.08548	1.8
328.09442	2.4
340.09430	2.5
343.11850	16.8
344.12033	1.3
355.11841	2.8
373.12961	6.3
385.13217	5.0
403.14011	22.7
404.14441	2.2
415.13986	5.9
416.14288	1.5
433.15057	100.0
434.15326	13.5
468.95764	1.2
492.55151	1.1
577.19153	1.3
595.18054	3.2
595.28961	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	595.1672
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.66003	1.5
56.10611	1.4
58.00422	1.6
59.01251	9.0
61.98693	7.7
62.71099	1.5
69.03333	15.3
70.80678	1.4
71.01255	9.3
71.52095	1.7
74.02332	3.4
75.00742	5.0
81.03342	1.9
83.01276	2.2
84.34508	1.5
85.02851	2.3
89.02311	4.0
93.03394	2.3
101.02320	4.5
108.02046	1.9
109.02833	2.8
113.02346	2.6
115.03883	1.7
116.92738	11.6
117.01838	3.3
117.03339	4.3
119.03395	2.2
123.04404	4.7
125.02339	7.1
129.05449	5.4
137.02290	5.1
149.02364	7.1
151.00352	2.3
151.03957	2.4
152.01001	2.3
161.02367	3.5
165.01877	2.0
167.03421	10.1
173.02443	1.9
175.03873	2.4
191.03494	3.0
193.01489	2.9
193.85139	1.8
197.04517	2.3
217.04890	4.0
219.03024	2.3
227.03534	1.7
231.02887	2.4
239.03476	2.8
241.05072	6.1
243.02951	3.8
245.04413	2.6
255.02975	2.8
255.06642	2.5
257.04565	13.0
259.02484	9.3
259.06064	5.6
261.03937	6.1
263.05551	4.0
269.04617	9.6
281.04645	2.0
283.02426	2.1
285.04138	14.6
287.01968	5.4
287.05609	8.8
291.05054	8.7
297.03824	3.2
299.05664	17.5
301.03799	3.2
311.05640	3.8
313.03574	6.8
315.05145	4.3
317.06613	3.1
319.04822	8.1
327.05066	23.8
329.10428	1.8
339.05124	2.3
343.04654	6.2
345.06155	25.4
346.06467	3.1
348.04675	2.3
349.05499	2.7
357.05930	2.2
358.23203	2.5
375.07108	3.6
381.08231	3.1
389.08820	2.8
443.09937	2.3
445.11270	2.4
447.09070	7.7
447.13864	3.8
459.12476	2.3
465.10486	25.3
475.12442	100.0
476.13019	17.0
487.12430	4.1
505.13513	29.0
506.13934	4.3
577.15698	4.1
595.16650	99.4
596.17114	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	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36737	0.8
59.01251	5.0
61.98701	96.3
65.50413	0.7
67.01764	0.7
69.03332	6.7
69.24335	3.3
69.24766	2.7
70.03616	0.6
71.01237	3.6
72.99193	1.7
73.02845	1.4
75.00779	1.3
78.95779	0.8
81.03338	0.8
83.01249	1.0
85.02843	1.1
87.00751	0.8
87.04401	1.3
89.02333	1.6
93.03323	0.9
95.01276	0.8
101.02355	1.7
108.02068	1.2
109.02870	2.1
115.03939	3.5
121.02850	22.2
123.04401	8.9
125.02356	3.1
129.05475	2.1
135.04411	0.8
137.02367	2.8
139.03897	1.1
147.04456	0.8
150.03174	1.1
151.00273	1.1
151.03958	1.5
154.33994	0.8
161.02353	1.2
163.00308	1.2
163.03944	1.0
163.06082	1.3
165.01880	3.2
165.05458	1.2
166.02489	0.8
167.03439	3.3
175.03970	2.0
179.03427	1.1
189.05455	1.4
193.01437	1.4
204.04266	1.6
217.05028	2.3
229.05034	1.1
231.02983	2.7
239.03476	2.1
241.05031	4.7
243.02922	2.4
245.04549	1.0
255.02921	1.7
256.03833	1.0
257.04483	8.6
258.01669	1.4
259.02463	10.6
259.06021	5.1
260.02881	0.9
261.04028	1.9
262.04758	1.8
263.05661	3.5
267.06619	1.6
269.04529	6.6
270.05075	1.4
271.02481	2.9
271.06088	0.9
272.03183	1.6
273.04025	1.6
277.03506	1.0
281.04648	1.5
283.02411	1.2
285.04077	7.3
286.04605	1.4
287.01993	6.2
287.05624	8.4
289.03586	1.2
291.05209	4.7
293.08148	1.5
295.06183	1.1
297.04141	3.8
297.07300	1.0
298.04919	1.3
299.05557	13.6
300.06015	1.1
301.03601	6.9
303.04990	2.0
311.05701	1.8
312.09869	1.2
313.03543	1.6
315.05063	2.3
316.05923	2.3
317.03174	1.7
317.06653	4.2
319.04620	12.5
320.04822	1.3
321.07635	1.5
327.05096	12.9
327.08734	1.7
327.12238	6.2
328.05341	1.2
329.06577	1.2
330.03607	1.0
331.04691	3.6
337.07202	1.6
339.05005	2.3
341.06668	1.8
345.06158	8.3
346.06476	1.0
348.04877	1.1
349.05688	4.0
357.06226	5.4
359.07660	1.6
369.10095	1.1
375.07294	2.4
425.08887	1.0
429.12897	1.3
433.11252	1.2
443.09613	1.2
447.12817	3.1
457.11441	2.1
465.10132	1.1
473.10837	0.8
475.12427	98.2
476.12738	14.6
487.12613	5.1
505.13525	31.7
506.13815	5.0
517.13330	2.7
577.15411	2.1
595.16638	100.0
596.17041	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	594.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
60.35254	0.2
61.98703	100.0
71.19941	0.2
78.85917	0.2
78.98470	0.3
79.95629	0.9
80.96385	5.1
82.95975	0.3
85.02820	0.3
94.54138	0.2
94.97972	1.1
121.02842	5.8
122.03178	2.1
134.97461	0.4
136.99023	0.3
148.99074	0.4
152.98599	0.4
154.35020	0.2
161.04471	0.2
164.98563	0.9
165.01799	0.3
172.17026	0.2
195.53659	0.2
206.99754	0.2
209.04494	2.8
210.04884	1.5
225.00616	1.1
277.35721	0.3
483.85623	0.2
506.12198	0.3
550.11102	0.4
594.13751	0.6
594.26672	4.8
595.13354	0.2
595.27521	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	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50548	0.9
52.91376	1.0
59.01240	3.8
61.98701	50.3
69.03330	7.1
69.68399	1.7
69.68798	5.3
71.01263	1.8
71.21916	1.0
72.99155	1.5
73.02752	1.0
75.00732	2.6
80.83122	0.8
82.76101	0.8
83.01267	1.0
85.02826	1.3
87.00751	0.9
89.02295	1.0
93.03326	1.5
97.02806	1.0
101.02327	1.8
101.39142	0.9
108.02029	1.8
109.02835	3.2
111.35071	0.8
113.02342	1.3
115.03882	2.1
117.03365	0.9
121.02062	1.3
121.02841	10.3
123.04407	8.1
125.02335	2.5
129.05458	2.2
135.04451	0.9
136.01535	1.2
137.02287	1.1
137.99538	0.9
138.03178	1.0
139.03882	0.9
149.02303	1.5
150.03079	1.3
151.03888	1.8
163.00331	1.2
165.01814	1.7
165.05405	1.3
167.03374	3.7
175.03874	1.3
191.03447	1.5
193.01274	2.3
197.11803	0.9
203.03355	1.1
213.01855	1.0
215.03558	1.5
215.76450	1.0
217.04935	2.0
229.04845	1.3
231.02925	2.3
239.03325	1.0
241.05048	6.6
243.03012	2.5
257.04459	8.1
258.01883	1.2
258.04834	1.0
259.02496	6.7
259.06076	4.2
261.03958	1.4
263.05405	1.4
269.04538	6.6
271.02499	1.8
277.03217	1.1
281.04477	2.5
285.04056	7.9
287.01956	6.2
287.05573	7.5
288.05948	1.1
291.04990	4.1
293.08075	1.2
295.05643	1.0
297.03961	4.5
297.07166	1.4
298.04770	1.3
299.02206	1.7
299.05594	11.4
301.03528	7.8
302.04086	2.2
303.04980	1.8
309.03772	1.2
309.07327	1.1
311.05508	2.0
312.10080	1.2
315.04984	2.7
315.45416	1.1
316.05731	2.7
317.03107	1.9
317.06622	3.0
319.04565	13.5
327.05139	14.2
327.12442	5.8
328.05426	1.7
331.04553	3.3
339.04843	1.6
341.06799	1.3
345.06049	8.0
349.06659	1.3
357.06274	5.1
359.07672	1.9
365.06442	1.8
375.07126	2.6
394.89505	1.1
397.09283	2.1
406.88919	1.1
419.13489	1.5
425.08926	1.3
433.11435	1.2
447.13092	5.0
457.11139	1.8
475.12415	100.0
476.12833	14.5
487.12494	4.9
505.13477	26.8
506.13870	4.0
517.13177	2.2
577.15454	3.4
595.16663	99.1
595.32239	2.8
596.16919	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	594.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
61.98703	100.0
69.03323	0.2
71.01260	0.7
71.05649	0.3
71.07967	0.2
73.02826	0.2
78.08788	0.1
80.97125	0.2
85.02852	0.3
89.02325	0.4
92.87955	0.1
96.95895	0.2
97.02872	0.2
101.02337	0.3
103.03890	0.2
109.42673	0.2
112.53798	0.2
113.02325	0.2
116.65678	0.1
121.02843	7.5
123.04395	0.2
125.02372	0.4
145.04846	0.2
163.06009	0.3
165.01913	0.3
188.60863	0.1
195.06429	0.2
224.01590	0.2
241.05008	0.3
257.04642	0.2
259.02399	0.2
287.02127	0.2
287.05554	0.2
291.05212	0.2
299.05637	0.4
307.10480	0.3
319.04654	0.4
327.05103	0.4
338.75528	0.2
343.23743	0.2
345.06067	0.3
357.06052	0.2
429.14075	0.6
475.12485	3.3
505.13437	0.9
594.31866	0.4
595.16608	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05501	0.5
59.01240	1.2
59.54445	0.6
61.98711	1.5
71.41309	1.2
78.95778	83.0
80.16638	0.7
80.96394	1.6
84.41270	0.5
96.96841	16.6
121.02842	0.7
147.89264	0.7
148.23735	0.6
150.97926	1.9
152.99493	66.5
153.99872	1.2
162.54962	0.6
171.00612	1.0
208.55464	0.6
209.11766	1.5
223.00113	2.1
224.65311	0.6
227.12856	1.2
241.01160	35.9
242.01445	1.2
259.02161	0.7
259.20868	0.7
277.21722	53.2
278.22028	5.0
309.20618	0.9
315.04861	10.4
332.42325	0.6
413.20993	7.0
431.22055	1.3
490.59372	0.8
593.27307	100.0
594.27728	16.9
594.37262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.11459	0.6
58.32337	0.6
59.01270	0.6
61.98698	1.2
63.96110	1.0
71.01264	5.3
71.28994	1.0
71.29343	0.6
73.02810	1.3
78.98469	4.8
79.95609	31.6
80.96392	50.8
81.03338	0.7
85.02818	2.3
87.00748	2.2
94.97965	12.7
96.95868	1.0
97.02817	1.6
101.02333	2.7
106.97984	3.5
122.97466	4.1
125.02364	3.1
127.03913	0.9
134.97470	4.3
136.99001	1.6
141.21356	0.6
148.99042	5.4
152.98561	6.5
161.04456	0.7
164.98553	10.0
170.06841	0.7
179.00098	0.8
182.99556	2.3
188.53500	0.5
188.98666	0.7
206.99661	3.6
225.00706	19.2
241.00267	0.8
243.01793	2.3
299.04471	4.0
315.03970	1.0
367.71533	0.6
371.06430	1.3
385.08051	0.8
399.09689	1.5
413.11365	1.3
427.13129	0.8
441.14468	1.1
455.15988	2.1
495.19016	1.7
523.18134	0.9
524.19257	1.6
593.26355	100.0
594.26733	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	593.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27701	0.3
57.03321	0.4
59.01247	0.9
61.98704	5.0
63.96103	0.7
69.03337	0.6
70.54124	1.1
71.01249	6.1
73.02824	1.7
78.98457	4.5
79.95607	33.3
80.96390	54.0
85.02822	2.5
87.00750	2.1
93.97156	0.4
94.97960	11.5
95.01327	0.4
96.95879	1.7
97.02826	1.0
101.02325	2.2
101.15361	0.3
103.54830	0.3
106.97962	2.4
122.97471	3.1
125.02332	2.7
127.03926	0.6
134.97462	4.3
136.99020	1.0
148.99039	4.3
152.97389	0.6
152.98552	4.7
161.04449	1.5
161.44934	0.3
164.98538	9.4
167.00055	0.4
174.44250	0.4
195.13882	0.4
206.99611	3.1
218.18384	0.3
225.00684	13.7
226.01062	0.4
241.00244	1.8
243.01920	0.5
293.21448	0.6
295.22754	0.4
299.04431	2.7
315.03864	1.2
341.05490	1.0
371.06482	3.1
385.08072	1.4
399.09515	1.5
413.11111	1.8
427.12936	0.5
441.14282	1.1
455.15936	2.5
477.18582	0.4
481.17624	0.8
495.19254	2.2
523.18439	1.3
524.19397	1.3
593.26337	100.0
594.26666	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
62.71693	0.7
69.21958	5.1
78.95776	71.3
96.96848	12.7
98.19847	1.2
150.97926	1.3
152.99489	100.0
153.99797	1.6
171.00525	3.2
223.00079	12.9
241.01154	25.1
242.01476	0.9
251.54202	0.5
259.02267	2.0
275.20279	0.6
277.21713	47.1
278.22095	4.4
315.04855	17.0
333.05920	1.3
488.62781	0.7
593.27307	77.7
594.27673	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	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61897	0.4
59.01260	1.1
63.96124	1.1
69.03325	0.5
71.01249	5.9
71.10435	0.9
73.02812	1.4
78.98463	5.4
79.95604	38.0
80.96388	63.3
81.03316	0.7
85.02820	2.2
87.00724	1.9
94.97960	14.2
96.95878	1.5
97.02847	2.0
101.02299	2.2
106.97972	3.4
108.37328	0.3
108.52522	0.3
122.97459	5.2
125.02318	2.5
127.03870	0.4
134.97487	3.8
136.99052	2.1
148.99046	5.7
152.98535	7.2
153.78423	0.4
161.04433	1.1
164.98535	10.9
167.00047	0.4
179.00102	0.6
182.99634	2.5
188.98529	0.4
195.13837	0.4
197.01221	0.4
206.99623	3.9
225.00690	20.4
226.00980	0.5
241.00156	1.4
243.01767	2.7
299.04407	4.8
315.03836	0.9
371.06448	1.4
383.68649	0.4
385.07953	1.2
399.09665	1.9
413.11215	0.8
427.12830	0.5
441.14084	0.9
455.15887	2.5
460.18579	0.4
481.17447	0.6
495.19052	2.1
523.18823	0.7
524.19232	0.5
593.26331	100.0
594.26642	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	593.1512
Annotation	Luteolin 4'-methyl ether 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.06121	0.3
57.03325	0.3
57.15231	0.3
59.01250	11.0
61.98698	0.4
69.54842	1.8
71.01247	0.8
71.55956	0.2
73.01996	0.3
73.02803	0.2
75.00738	0.4
83.04892	1.5
85.02854	0.4
85.06463	0.3
89.02307	0.5
101.02316	0.7
103.03926	1.3
109.02840	0.3
109.15810	0.3
111.04410	1.4
113.02348	0.4
117.03352	0.4
121.02885	0.4
127.07536	6.3
128.03436	0.3
129.04495	0.4
129.05467	7.7
135.04373	0.5
171.04439	0.3
171.06493	0.7
183.04431	1.4
185.02393	0.4
187.03900	0.3
189.07616	4.9
199.03961	0.8
211.03999	2.0
215.03296	0.3
226.02692	0.3
227.03415	5.0
228.03845	0.5
238.02650	0.9
239.03319	1.2
254.02248	0.8
255.02969	5.4
256.03275	0.8
259.02380	1.2
266.02127	0.5
267.03043	0.5
268.03748	0.3
269.04498	0.5
271.02405	2.4
272.03128	0.8
273.04041	0.6
282.01715	0.8
283.02463	100.0
284.02795	8.8
285.04099	1.5
293.04547	0.4
296.03250	0.5
297.03995	1.2
298.01126	0.9
298.04190	0.3
299.01956	0.5
301.03644	2.1
302.04089	0.4
311.05569	2.7
312.05817	0.4
313.03540	1.8
325.03500	2.4
326.03912	0.4
331.04446	1.1
343.04614	0.5
353.06757	0.7
355.04504	0.4
385.05099	0.4
403.06686	29.5
404.07065	3.4
413.02414	0.4
413.08551	0.4
421.07809	0.4
429.08002	1.3
445.10968	0.4
473.11115	1.3
474.11234	0.3
476.54565	0.3
507.11462	0.6
549.12238	2.7
578.12854	0.3
589.07874	0.3
593.15112	13.0
594.15320	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05014	0.3
59.01255	0.3
63.02274	0.8
63.04811	0.3
65.00198	1.0
66.64928	0.3
71.32240	0.4
83.01285	0.4
88.04031	0.3
91.01755	0.4
93.03328	1.6
98.67452	0.3
101.69694	0.3
107.01276	1.9
109.02850	0.8
113.00365	0.3
117.03284	0.3
117.15261	0.3
125.02302	0.4
131.38104	0.3
132.02069	1.0
135.00804	1.4
137.02332	0.6
143.04941	1.2
147.06502	0.3
151.00270	3.0
153.01833	0.4
157.06546	0.5
159.04433	1.2
163.00287	2.5
164.01048	0.5
165.01881	0.4
167.04965	0.5
169.01321	0.4
169.06537	0.7
171.04446	1.0
173.06114	0.3
175.03844	0.3
182.03583	0.3
183.04453	0.8
185.02370	0.4
185.06015	2.6
187.03940	3.1
189.05495	1.2
195.04384	0.7
197.06055	1.4
199.03978	1.1
200.04631	0.5
201.05498	0.5
211.03943	2.7
212.04662	0.5
213.05511	1.9
215.03450	0.5
217.04967	0.3
227.03452	36.9
228.03831	2.4
229.05016	12.0
230.05399	0.7
239.03452	2.4
240.04222	1.1
241.04982	1.8
255.02969	60.3
256.03537	8.3
257.04544	7.9
258.04852	0.5
267.02966	1.1
276.27612	0.3
283.02466	1.3
284.03259	72.5
285.04007	100.0
286.04398	7.3
299.05435	0.5
327.05023	1.0
409.93408	0.3
410.64584	0.4
593.15106	92.9
594.15424	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	593.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54341	0.3
57.03321	0.4
59.01254	11.5
61.98701	0.5
69.23302	3.4
71.01254	0.6
72.99218	0.4
82.59508	0.3
83.04890	0.8
84.41110	0.3
85.02827	0.5
96.95880	0.7
101.02324	0.6
103.03871	1.5
111.04373	0.9
111.17603	0.4
127.07542	4.9
129.05476	7.4
151.00285	0.4
170.35178	0.4
171.06548	0.6
171.32309	0.3
179.12527	0.3
183.04463	2.3
189.07608	4.2
199.03937	0.7
201.97528	0.4
207.02769	0.4
211.03935	2.2
215.80969	0.4
227.03448	4.9
237.02132	0.5
238.02640	0.8
239.03484	1.1
254.02254	0.7
255.02988	4.9
256.03394	0.5
258.01712	0.7
259.02460	1.0
266.02350	0.4
271.02557	1.7
272.03275	1.0
273.03970	0.6
274.44827	0.4
278.96631	0.4
281.04492	0.6
282.01794	0.8
283.02481	100.0
284.02829	8.9
285.03961	1.7
296.03271	0.5
297.03979	0.8
298.01138	0.5
299.01859	0.5
301.03479	2.1
311.05591	1.4
313.03479	2.3
314.03964	0.6
325.03571	2.0
331.04877	0.9
343.04456	0.6
355.04636	0.5
385.05524	0.6
403.06689	33.1
404.07040	3.8
413.08762	0.4
421.07745	0.4
429.08267	1.1
473.10977	2.0
483.69348	0.4
502.83914	0.4
507.11398	1.2
549.12482	3.6
575.10870	0.4
593.15088	14.2
594.15607	1.7
605.34912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
51.40770	0.5
54.14250	0.5
67.95914	0.5
69.49009	3.2
71.01241	0.7
73.03693	0.4
79.01775	1.0
93.03338	1.2
102.31818	0.6
109.37716	0.4
117.03342	5.0
119.04871	1.3
135.04401	2.2
147.04362	0.7
149.02319	0.9
159.04410	0.6
161.02359	2.6
163.03928	1.3
175.03871	1.3
177.01787	0.8
177.05476	1.8
179.03461	0.6
191.03416	2.0
203.03340	1.2
205.05022	0.7
221.04439	0.7
223.07594	0.6
224.08398	0.6
225.42252	0.5
233.04459	1.3
237.05461	0.5
238.06258	0.5
245.04524	0.6
245.22151	0.5
249.14059	0.6
253.08702	1.0
267.06744	1.0
268.07278	1.3
279.06686	0.6
281.04623	0.9
282.05426	2.4
283.06094	3.9
295.06088	3.9
296.06827	2.7
297.07681	22.5
298.08096	2.9
307.06067	3.6
309.07626	2.7
311.05621	4.2
321.03989	0.5
321.07526	0.7
322.04608	0.5
323.05576	3.8
324.06110	1.9
325.07150	11.4
326.07565	1.5
328.05789	2.6
335.05585	1.8
337.07056	3.5
339.08624	0.6
353.06641	55.3
354.06979	7.0
355.08237	1.6
356.05249	1.4
365.06537	6.6
366.06851	0.8
367.08270	0.9
377.88336	0.5
381.05981	0.8
383.07721	33.0
384.08096	3.6
395.07626	4.0
397.09204	1.3
413.08832	3.2
425.08743	1.3
462.31747	0.5
473.10907	15.8
474.11218	2.2
503.11966	4.2
504.12042	0.7
538.13782	0.5
575.13953	0.8
593.15094	100.0
594.15442	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.3
61.98704	100.0
62.05222	0.2
62.98410	0.2
70.03603	0.8
70.61737	0.2
71.01246	0.3
80.96389	1.7
84.87945	0.2
94.97958	0.3
98.20555	0.3
121.02839	0.3
134.97429	0.2
164.98466	0.3
225.00742	0.4
253.09334	0.4
293.21082	0.3
294.21851	0.2
295.22491	0.6
296.23148	0.8
303.59717	0.2
351.11530	0.2
593.26318	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19417	0.2
59.01249	0.3
61.98703	100.0
71.52110	0.4
76.47353	0.3
78.95780	0.6
79.95599	0.4
80.47274	0.3
80.96390	1.5
83.79280	0.3
94.97950	0.3
106.83311	0.3
108.02073	0.3
114.17213	0.3
121.02859	0.6
146.50322	0.3
152.01089	0.5
152.99556	0.7
163.45610	0.2
164.98529	0.4
215.92812	0.3
225.00740	0.4
243.01990	0.3
293.21231	0.3
294.21664	0.4
296.22186	0.3
592.28638	0.8
593.26477	3.5
593.36115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98415	0.3
67.80952	0.1
68.85189	0.1
69.23927	0.7
69.24335	0.6
79.95600	0.3
80.96400	0.6
101.74481	0.1
161.65752	0.1
192.99936	0.1
225.00839	0.3
270.42770	0.2
308.71530	0.2
323.06235	0.2
495.62558	0.1
592.25519	0.5
593.25952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98396	0.1
66.94549	0.1
70.05188	0.2
70.05578	0.2
79.95611	0.2
80.96385	0.9
88.94330	0.1
91.19298	0.1
94.97962	0.2
122.97455	0.1
164.98584	0.1
196.57077	0.1
225.00739	0.2
243.77573	0.1
400.20065	0.1
402.82635	0.1
592.25104	0.2
593.26263	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	591.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54927	3.0
55.01748	3.0
57.03331	5.7
59.01251	100.0
61.44811	2.5
61.98705	26.5
68.99719	3.1
70.93935	3.0
71.01254	44.2
71.51712	2.6
71.52127	2.7
72.99161	4.2
73.02827	19.0
75.00748	6.4
78.95778	5.6
83.01275	4.5
83.04894	3.8
85.02797	17.7
87.00740	3.7
89.02330	23.8
97.04086	3.1
99.00752	11.7
100.66612	2.9
101.02322	25.1
103.87612	2.8
113.02354	14.8
116.92757	3.4
119.03368	3.7
131.03325	4.5
135.04405	4.2
137.02292	2.9
149.04453	7.7
161.04462	11.5
171.10222	6.2
227.23311	2.8
283.02310	4.1
399.23941	7.2
513.28705	3.7
531.28058	76.1
532.28021	13.6
591.17267	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	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10890	0.3
54.70229	0.4
59.01247	0.4
65.81596	0.4
67.11811	0.5
69.03334	0.5
70.89325	0.4
71.01254	1.1
71.51752	0.5
71.52126	0.5
72.99179	1.8
75.00749	100.0
76.01096	0.9
81.69920	0.5
161.09700	0.8
179.10683	1.6
179.71297	0.4
191.02936	0.4
197.11748	4.1
205.11958	0.4
205.23116	0.4
241.10834	0.8
255.23224	0.7
293.21313	1.7
315.14474	0.6
459.40964	0.4
499.02179	0.4
591.35199	4.1
592.35730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.57615	0.5
62.65885	0.5
64.43257	0.5
66.71476	0.5
79.35829	0.6
80.94344	0.6
106.06514	0.9
178.44370	0.6
186.81868	0.5
321.20801	0.7
372.49197	0.6
396.17294	0.9
443.22635	2.4
444.19443	0.6
445.19904	1.1
447.25131	0.9
456.23190	1.3
459.21753	3.1
467.49985	0.8
471.21146	0.8
471.25632	2.7
472.22552	1.9
473.23654	0.8
482.21085	1.8
485.19745	2.0
487.25745	3.7
497.23367	3.4
499.21198	3.5
500.22159	13.7
501.22559	2.5
503.20828	0.8
513.23120	1.2
515.24524	100.0
516.24854	22.0
516.32574	1.1
519.23669	1.3
559.23260	3.9
560.23956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18816	1.6
59.01256	11.6
61.98691	5.7
71.01259	10.7
71.52271	3.0
73.02810	3.2
79.95599	3.4
80.96394	18.1
82.67856	1.6
83.04935	1.9
83.11225	1.6
85.02833	1.8
89.02307	6.9
94.97948	4.1
97.02831	5.7
101.02333	8.0
108.38093	1.5
111.08046	1.8
113.02327	2.5
125.09618	2.7
148.99059	1.8
161.04404	3.3
163.11211	1.9
164.98560	2.6
165.12766	4.2
171.10141	6.7
179.05571	2.1
193.12148	2.9
197.11789	10.0
199.13055	1.6
201.11185	1.8
206.99562	1.7
208.50386	1.6
209.11836	2.3
211.13354	3.8
225.00633	4.8
225.14954	2.0
227.12863	3.5
247.20592	5.4
253.09259	40.6
254.09654	2.4
291.19659	41.6
292.20074	3.1
309.20700	100.0
310.21155	8.8
342.77719	1.8
355.24875	5.3
545.30011	2.5
591.24518	26.8
591.32013	2.1
592.25104	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	591.2481
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
56.00516	0.7
56.31778	0.8
58.39482	0.6
59.01270	4.5
59.01522	1.1
61.98705	3.9
63.96117	1.0
69.03338	0.9
70.72324	1.2
70.72666	1.6
71.01259	7.9
72.97476	0.8
73.02814	2.3
78.95795	1.6
78.98486	5.3
79.95609	13.2
80.35103	0.7
80.96394	72.7
85.02821	3.0
86.00939	0.7
86.85999	0.7
87.00755	3.4
89.02318	1.4
94.97970	17.0
95.01286	1.2
97.02831	1.7
101.02306	3.6
106.97973	4.0
111.08098	0.9
116.21575	0.7
122.97473	5.9
125.02328	3.7
127.03924	1.1
134.97519	4.8
136.99023	1.3
148.99055	6.4
152.98552	8.2
164.98553	12.6
165.12764	1.1
171.10194	0.8
182.99635	2.6
197.11769	6.0
206.99605	3.2
211.13370	2.0
225.00697	18.9
225.02747	1.4
226.01067	0.9
241.80269	0.8
243.01799	1.6
253.09224	4.4
263.20349	0.8
291.19647	4.6
292.19949	1.2
299.04416	2.5
309.20673	6.3
310.20959	1.0
355.24841	3.4
378.87115	0.8
416.01285	0.9
517.27643	0.8
591.24829	100.0
592.25195	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	591.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01254	0.3
61.98699	0.4
69.51140	1.4
85.02805	0.2
89.02296	0.2
90.58866	0.2
97.06476	0.9
109.02815	0.4
111.22775	0.2
123.08114	0.2
125.09617	6.4
125.10542	0.3
135.04410	1.7
135.88574	0.2
136.01642	0.2
151.03926	0.3
155.04900	0.3
166.02536	0.3
167.04994	0.2
171.04498	0.3
175.00363	0.4
183.04436	1.9
185.02390	0.5
187.03964	0.3
187.09689	6.7
188.10019	0.3
189.01869	0.2
195.04446	0.3
198.14713	0.2
199.03915	0.6
209.02461	0.3
211.03951	2.9
226.02635	0.3
227.03445	5.7
228.03709	0.6
237.02002	0.4
238.02734	1.2
239.03380	1.3
243.02855	0.4
253.01463	0.2
254.02196	0.8
255.02974	7.1
256.03314	0.6
258.01529	1.5
259.02499	1.6
266.02231	0.9
267.03021	0.9
268.03769	0.4
269.04453	0.6
271.02444	2.5
272.03198	1.8
273.03995	0.5
280.03717	0.3
281.04443	0.6
282.01718	0.7
283.02466	100.0
284.02811	9.0
285.03970	1.6
286.04391	0.3
295.02493	0.3
296.03201	1.0
297.04062	1.3
298.01193	0.6
298.04367	0.3
299.01880	0.3
301.03561	1.9
311.01947	0.7
313.03564	2.2
314.03693	0.3
325.00104	0.2
325.03510	4.6
326.03827	0.3
331.04578	1.3
343.04565	0.6
355.04437	0.6
385.05463	0.6
387.14368	0.7
403.06680	24.5
404.06989	2.8
417.03696	0.2
443.13437	3.7
444.13901	0.8
471.12973	5.8
472.13147	0.9
483.12952	0.4
501.14142	0.3
530.45502	0.2
573.16071	0.3
591.17145	25.2
592.17426	4.7
617.87561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
61.98701	100.0
62.98405	0.2
69.83148	0.2
70.54167	0.6
71.01262	0.3
78.95788	0.2
80.96381	1.0
94.98005	0.3
108.02066	0.3
152.01047	0.2
164.98586	0.2
292.20074	0.3
293.20700	0.2
294.21350	0.2
406.28918	0.2
590.27423	0.5
591.24896	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	591.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.1
59.01244	2.6
61.98687	1.1
65.00194	0.8
69.19254	4.8
69.19668	1.4
71.01231	0.8
71.75990	0.5
72.98718	0.6
74.02395	0.5
79.01758	1.0
88.33704	0.5
93.03329	0.9
95.01250	0.7
97.02830	1.0
98.20592	1.3
99.04375	3.3
101.02306	1.6
105.03333	1.0
107.01287	0.9
109.02836	2.9
109.38299	0.6
118.99269	0.6
119.04894	1.2
121.02843	1.9
125.02328	1.8
133.02844	11.9
135.04411	2.5
137.02350	1.4
143.07089	0.6
147.04396	1.0
149.02328	2.6
151.03908	0.8
161.02376	1.4
161.04494	2.8
163.00278	2.9
163.03923	4.2
163.05988	0.8
165.01833	2.3
171.04399	0.6
175.00308	0.9
175.03923	4.2
177.01843	1.1
179.03389	0.8
191.03424	1.9
193.01295	1.7
199.03931	2.1
201.01831	1.4
208.45755	0.5
211.03935	1.4
213.05496	1.0
215.03423	1.4
227.03391	1.6
227.07108	1.0
240.04282	1.2
241.04962	1.1
243.02794	1.1
253.04980	0.9
255.02936	2.3
255.06464	1.0
256.03690	1.2
257.04523	1.0
259.02554	0.9
263.07739	0.6
269.04477	2.6
270.05020	2.3
271.02432	0.8
279.03030	0.7
281.04636	1.3
283.02502	14.8
284.03287	10.3
285.04050	8.9
286.04599	1.0
297.04053	17.8
298.01349	1.3
298.04724	9.3
299.02258	0.7
299.05573	20.4
300.05942	1.6
301.03729	1.0
309.04086	2.3
311.05560	3.9
313.03571	1.0
324.02936	0.8
325.03561	3.3
327.05096	100.0
328.05493	10.0
337.03485	0.6
339.05106	6.3
340.05447	1.0
341.06573	1.5
351.04956	0.8
357.06161	52.6
358.06567	5.0
365.06638	0.7
369.06161	7.0
381.06284	0.7
387.07364	0.7
393.06116	6.2
403.06641	6.0
411.07150	5.6
412.07394	0.9
423.56537	0.7
429.08154	6.2
430.08472	0.9
447.09308	13.2
448.09537	1.6
489.10544	6.0
490.10968	0.8
529.13788	1.5
591.13617	7.8
592.14087	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84875	0.2
59.01245	0.3
60.39300	0.2
69.18616	2.0
72.99178	1.9
75.00748	100.0
76.01081	1.1
98.20583	0.4
121.12293	0.2
187.16493	0.2
234.68216	0.2
252.58881	0.2
277.21771	0.5
291.19650	0.4
293.21390	0.3
608.62274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90925	0.2
59.01244	0.5
61.98703	100.0
62.98405	0.2
66.90444	0.2
67.15169	0.2
71.51589	0.4
118.41193	0.2
118.74564	0.2
196.19225	0.2
199.13300	0.2
243.03000	0.3
254.09819	0.3
271.02441	0.5
272.03183	0.4
291.19852	0.7
292.20099	0.6
293.20178	0.3
301.03583	0.3
391.66321	0.2
422.11877	0.3
470.15564	1.0
475.44714	0.2
590.20398	0.8
591.26050	0.4
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
59.01243	0.7
61.98702	100.0
63.16916	0.2
71.01241	0.3
71.52091	0.4
76.67701	0.2
78.95795	0.3
80.68464	0.2
80.96388	1.4
83.01227	0.2
88.11639	0.2
104.53831	0.3
105.81740	0.2
121.73843	0.2
125.25635	0.3
138.94183	0.3
141.32216	0.2
143.04573	0.3
165.12704	0.2
168.17404	0.3
210.40726	0.2
225.00836	0.3
253.09172	0.4
272.03363	0.3
291.19696	0.4
292.20016	0.6
293.20712	0.3
294.20544	0.2
383.74893	0.3
386.54285	0.2
590.24500	0.4
591.25085	2.9
591.33801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.0
61.98706	3.5
65.18056	1.6
71.01261	10.1
71.51524	1.7
71.51958	2.1
72.99149	2.4
73.02802	2.0
75.00735	1.7
82.58354	1.8
85.02811	3.8
87.00746	7.4
89.02328	3.7
91.05403	5.0
95.04920	2.0
99.00722	2.0
101.02331	3.0
102.24114	1.9
108.02033	2.8
109.02895	2.4
113.02341	2.0
117.13142	1.7
121.02819	3.9
125.05940	3.8
126.29093	1.7
135.04419	89.1
136.04852	4.2
137.05957	4.0
139.07568	2.3
149.05988	68.8
149.09634	3.7
150.06310	2.9
151.07530	2.1
159.08046	3.1
163.03908	9.3
172.76607	1.8
175.07658	3.8
175.11211	15.3
175.78928	1.6
177.05492	11.8
177.09146	7.1
181.04778	1.8
181.08653	4.5
184.24939	1.7
185.06012	4.5
189.05487	2.8
191.10629	1.9
201.09177	14.5
203.07117	2.7
204.07866	7.4
205.05057	4.9
207.10356	2.7
219.10199	24.2
227.03517	2.5
228.09381	1.8
237.11404	2.4
248.59468	1.8
255.02925	3.6
259.02423	2.7
269.00992	2.5
271.02390	2.8
283.02451	40.8
284.02777	5.3
301.03522	2.9
302.29221	1.8
325.03555	2.6
384.10583	1.8
403.06802	6.2
408.29092	1.9
469.15070	2.3
589.19305	100.0
590.19867	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40666	0.1
55.20680	0.1
69.18579	1.8
72.99181	1.6
73.02795	0.1
75.00748	100.0
76.01082	1.3
135.16380	0.2
206.06703	0.2
218.03735	0.2
223.84734	0.2
231.68886	0.2
231.73045	0.2
277.21661	0.2
288.25443	0.2
311.07788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59813	0.4
59.01251	12.0
61.98706	2.6
70.90451	1.1
71.01261	3.6
72.99187	0.4
73.02800	0.5
83.01251	0.6
85.02777	0.8
87.86639	0.5
89.02306	2.7
95.01273	0.5
97.06458	0.6
101.02340	3.5
113.02320	1.6
119.03422	0.9
151.11107	0.5
161.04436	1.4
163.11176	0.8
165.12759	13.4
166.13139	0.7
171.10196	1.5
197.11749	0.9
235.08154	0.8
247.20636	7.7
248.21068	1.0
253.09256	17.2
254.09630	1.1
273.18622	4.7
291.19662	100.0
292.20010	11.2
292.23267	0.6
309.20615	1.5
394.44891	0.6
544.48157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98729	0.5
53.22544	0.5
58.10770	0.4
59.01254	9.4
59.36823	0.4
64.81486	0.4
65.26299	0.4
70.43424	1.1
70.43781	0.9
71.01265	4.1
71.10846	0.5
73.02811	0.9
85.02834	0.8
85.96687	0.5
87.00735	0.6
89.02324	2.2
89.35042	0.4
95.01244	0.4
97.92130	0.4
98.20458	0.6
99.04459	0.4
101.02323	3.9
104.46754	0.5
113.02310	1.6
115.96507	0.5
119.03403	0.5
126.28294	0.5
148.08795	0.6
148.63043	0.6
150.10385	0.7
157.08546	0.6
161.04468	1.5
163.11179	0.8
165.12759	12.7
166.13126	0.6
171.10178	1.1
185.11790	0.7
185.51332	0.5
197.11774	2.0
211.13338	0.6
247.20648	7.6
248.20988	1.0
253.09242	14.2
254.09760	0.7
272.03088	1.0
273.18552	4.1
274.19028	0.5
291.19656	100.0
292.20001	9.5
292.99451	0.4
301.03445	1.1
309.20627	1.0
331.04834	0.5
426.49234	0.5
502.47806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53056	4.9
65.00177	6.4
67.01762	9.4
67.92723	4.7
68.36098	4.5
68.99667	5.1
69.03337	11.5
69.39439	42.9
83.01261	9.0
93.03368	38.1
95.01260	18.5
97.02824	9.5
105.34177	5.1
107.01271	6.8
109.02853	44.8
111.00767	13.3
117.03303	5.6
123.00791	18.1
125.02322	28.8
131.01292	5.4
137.02379	41.6
139.00273	17.7
141.01859	12.2
143.05064	5.6
147.04424	6.4
149.02356	13.9
151.00293	29.7
153.01819	24.3
157.02837	5.3
159.04446	7.6
161.02345	10.1
163.00267	25.3
163.03972	6.5
164.04747	5.8
165.01843	20.5
166.99745	12.4
169.01341	17.4
173.02390	4.9
175.00342	36.9
177.01854	13.7
179.07045	6.6
181.01346	6.6
185.00864	6.9
185.02377	7.6
187.03940	13.7
189.01941	8.5
190.99867	6.7
193.01392	16.6
195.66742	5.9
197.02411	6.5
199.03975	5.4
201.01897	13.4
203.03346	7.8
205.01326	11.9
211.04018	7.4
213.01862	7.4
215.03423	35.3
217.01344	6.8
219.03009	5.1
227.03459	19.4
229.01411	14.0
231.02995	18.3
241.01343	9.0
243.02943	55.1
245.00885	14.0
245.04306	6.3
247.02473	7.2
253.01485	8.9
255.03035	16.7
257.00876	18.5
259.02509	33.0
261.04016	7.4
269.00894	22.2
270.01376	7.2
271.02527	27.2
273.00394	10.2
274.01132	37.5
275.01959	17.1
277.03409	6.4
281.00952	7.5
282.01584	6.3
283.02457	100.0
283.05173	8.7
284.02847	6.6
285.00403	17.7
285.03909	10.8
287.02069	35.5
288.02356	8.2
290.00690	7.8
292.03955	4.8
297.00378	10.4
298.01056	6.7
299.01947	83.1
300.02457	7.1
301.03387	23.6
303.01456	7.4
306.00287	9.1
313.03555	12.4
315.01563	32.2
316.25507	5.6
317.03238	7.9
329.02951	10.2
331.01004	13.7
377.04919	8.8
391.06854	5.8
401.05026	5.9
403.06625	36.1
407.06174	13.9
414.12692	5.8
417.04626	14.2
419.06226	51.9
420.06851	6.3
421.07645	16.0
435.05698	38.6
436.06369	7.5
437.07153	12.3
451.05121	17.9
453.06677	11.2
545.09259	7.4
551.96783	6.2
571.07361	12.1
589.07806	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	587.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
61.98703	0.9
64.44377	0.1
65.00204	0.1
69.03329	0.2
71.52248	0.1
82.30408	0.1
88.72199	0.1
89.02295	0.1
94.56056	0.1
101.02286	0.2
101.18703	0.2
108.02052	0.2
109.02814	0.6
115.00272	0.1
122.36089	0.1
128.03381	0.2
133.02905	0.2
143.04958	0.1
148.01595	0.3
148.07802	0.1
149.84229	0.1
151.00275	0.2
155.04927	0.4
157.02881	0.1
159.04489	0.2
166.42267	0.1
167.04971	0.4
171.04375	0.3
174.03255	0.1
175.00273	0.5
183.04451	2.1
185.02382	0.5
187.03882	0.4
195.04440	0.2
199.03883	0.9
209.02444	0.4
211.03954	3.1
213.01764	0.2
215.03479	0.4
225.02231	0.2
226.02705	0.3
227.03455	7.0
228.03708	0.4
229.01376	0.2
237.01828	0.5
238.02701	1.2
239.03474	1.8
240.03807	0.2
241.04933	0.3
242.02202	0.2
243.02859	0.3
253.01425	0.2
254.02234	1.2
255.02963	9.3
256.03299	0.8
258.01682	1.1
259.02463	1.8
265.01514	0.2
266.02237	1.1
267.02927	1.3
268.03693	0.7
269.04538	0.4
271.02496	2.6
272.03259	3.2
273.03738	0.3
281.01038	0.2
281.04483	0.7
282.01517	0.7
283.02463	100.0
284.02808	8.9
285.04007	1.5
295.02460	0.3
296.03171	0.9
297.03995	2.0
298.01202	1.1
298.04260	0.2
299.01913	0.5
299.05133	0.2
300.02505	0.2
301.03598	0.8
304.02341	0.3
308.03503	0.2
309.03906	0.2
311.02280	0.7
311.05365	0.2
312.02704	0.2
313.03467	1.0
324.02698	0.2
325.03513	6.1
326.03864	0.6
329.02847	0.2
331.04660	0.2
355.04440	0.9
367.04385	0.2
385.05859	0.4
403.06696	14.4
404.06998	1.4
421.07858	0.2
423.14417	0.2
439.13992	2.2
440.14478	0.3
449.07379	0.2
451.14038	0.2
467.13446	10.8
468.13882	1.4
479.13354	0.7
497.14392	0.8
498.14734	0.2
543.19086	0.3
569.16870	0.5
587.17688	31.1
588.18054	6.0
588.27612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	7.4
59.01249	22.1
60.27024	1.0
68.82167	1.0
71.01247	4.5
71.17429	1.8
75.13078	0.8
85.02823	1.2
89.02312	3.8
101.02315	3.5
101.90565	0.8
109.06487	1.7
113.02364	1.5
114.48763	0.9
125.09602	5.5
151.11154	1.0
153.09053	1.8
161.04518	1.3
163.11115	1.6
165.09132	0.9
179.14334	1.4
235.08234	1.1
247.20644	3.0
249.31740	1.0
253.09259	14.2
254.09488	1.1
291.19656	100.0
292.19971	10.4
489.14941	0.9
527.28473	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	587.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
61.41441	0.2
61.98704	1.6
69.51125	0.6
69.51534	0.6
85.02887	0.2
89.02314	0.3
99.00744	0.2
101.02305	0.2
107.85530	0.2
108.02055	0.3
109.02838	0.4
119.07118	0.2
120.08060	0.2
121.45440	0.2
134.06108	0.2
137.02322	0.2
148.01566	0.4
152.90587	0.2
155.04904	0.4
163.00359	0.2
167.04887	0.2
171.04391	0.3
175.00253	0.5
183.04449	2.1
185.02357	0.5
188.17509	0.2
195.02740	0.2
199.03987	0.9
209.02309	0.3
210.03084	0.2
211.03961	3.1
212.04262	0.3
213.01881	0.5
215.03427	0.3
222.03021	0.2
226.02596	0.3
227.03456	6.6
228.03853	0.4
237.01784	0.5
238.02548	1.4
239.03427	1.3
243.02980	0.4
253.01555	0.3
254.02168	1.3
255.02953	8.7
256.03387	0.5
258.01776	1.1
259.02386	1.7
266.02136	1.1
267.03027	1.0
268.03796	0.6
269.04410	0.3
271.02502	2.6
272.03232	3.3
273.03745	0.3
280.03766	0.2
281.04526	0.8
282.01700	0.9
283.02463	100.0
284.02832	8.2
285.04065	1.7
295.02512	0.5
296.03250	1.3
297.03955	2.0
298.01288	1.1
298.04340	0.4
299.01932	0.3
301.03528	1.0
304.02295	0.3
311.01886	0.6
312.02481	0.3
313.03558	1.2
315.04895	0.3
324.02615	0.3
325.03522	6.6
326.03851	0.5
329.03122	0.4
331.04355	0.2
355.04346	0.5
356.05341	0.2
385.05652	0.4
403.06683	13.7
404.06900	1.1
423.14642	0.5
436.83633	0.2
439.13962	1.8
440.14203	0.3
467.13428	10.5
468.13464	1.1
479.13455	0.6
497.14545	0.7
543.18726	0.7
569.16681	0.7
587.17664	32.2
588.17975	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	587.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.2
61.98703	20.7
69.64961	2.1
69.65392	2.2
70.25028	0.7
71.01247	1.3
71.67496	0.7
78.95768	0.8
81.23463	0.7
88.98716	0.8
96.95911	0.8
109.02813	0.9
109.42808	0.6
111.04391	0.9
113.39981	0.6
128.03487	0.7
171.10187	2.2
183.04453	2.4
185.02463	0.7
211.03984	3.0
227.03398	7.1
229.96077	0.6
238.02719	1.6
239.03340	1.3
254.02098	0.9
255.02977	9.8
258.01642	2.3
259.02448	2.2
266.02475	0.9
267.02881	1.2
269.04568	0.7
271.02457	2.7
272.03247	3.6
281.04578	0.9
282.01868	0.8
283.02481	100.0
283.29587	0.8
284.02817	7.9
285.04114	1.2
296.03281	1.8
297.04022	2.5
298.01236	1.5
301.03629	1.7
313.03690	1.1
325.03552	5.3
335.05389	0.7
355.04984	1.1
385.05859	0.8
403.06662	20.0
404.06946	2.0
423.14566	2.6
439.14005	1.8
467.13388	9.6
468.13739	0.9
543.18243	3.1
587.17706	29.7
588.18011	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97149	1.5
58.30188	1.5
59.01243	1.8
61.98679	2.3
65.00192	2.7
68.09956	2.0
77.49152	1.7
91.01765	3.4
95.01270	2.7
105.69151	1.6
107.01244	4.4
109.02827	9.0
111.00713	3.4
121.02802	2.1
123.00738	4.8
123.04409	7.7
125.02303	2.1
133.02846	7.4
145.02893	2.2
147.31956	1.9
149.02362	10.2
151.00275	2.3
161.02242	1.9
165.05415	2.3
166.99834	1.9
167.03412	5.0
168.00563	2.0
175.00291	5.2
177.01878	3.0
177.27905	1.9
183.02859	4.0
183.04391	3.0
185.02264	2.8
199.03917	4.0
201.01892	2.1
215.03389	2.8
217.01297	3.4
218.01830	2.6
227.03416	8.7
229.01239	4.8
243.02747	3.6
245.00790	4.1
253.01314	8.8
255.02960	17.2
269.00766	2.5
271.02484	12.3
273.00375	3.4
274.01190	42.4
275.01767	5.9
281.00848	7.7
283.02512	37.0
284.02832	6.6
287.01984	3.3
288.02582	2.3
298.01080	4.9
299.01953	100.0
300.02307	9.7
301.03537	6.1
313.03381	2.5
317.02832	8.7
341.02957	2.7
403.06595	11.6
419.06195	54.6
420.06674	5.7
437.07275	5.4
467.06000	3.8
565.16956	2.1
587.10345	30.8
588.10999	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	586.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59448	0.1
59.01258	0.6
61.98703	100.0
62.98396	0.2
70.85941	0.2
71.01260	0.3
78.95781	0.2
79.07513	0.1
89.02314	0.2
111.56982	0.1
121.02854	0.2
122.03613	0.1
149.02431	0.3
150.03169	0.5
165.05498	0.4
171.10031	0.1
180.04324	0.1
195.06583	0.2
196.06964	0.2
232.89949	0.1
283.02591	0.5
324.99817	0.1
350.23569	0.1
359.14844	0.1
360.15488	0.2
538.21643	0.2
579.43658	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	585.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
61.55461	0.8
61.66505	0.8
61.98687	2.0
71.01248	1.1
71.52412	1.0
76.87724	0.7
78.95773	0.9
79.19790	0.7
81.03325	1.6
83.01260	0.8
87.68354	0.8
89.02287	0.9
93.03333	3.8
95.04898	1.2
105.03309	1.4
107.01242	1.1
108.02058	1.5
109.02840	33.0
116.65906	0.8
117.03346	2.7
119.04951	0.8
121.02849	2.6
123.04427	2.0
125.02368	3.8
131.01271	2.1
132.02087	1.0
133.02858	100.0
134.03194	3.6
135.04433	2.5
137.02359	4.4
147.04420	2.7
148.01628	0.9
149.02353	37.8
150.02687	1.2
151.03908	1.0
153.01839	1.2
155.03490	0.8
155.85974	0.9
155.99899	1.1
161.02382	0.9
163.03908	2.6
167.03409	6.2
173.02368	19.6
175.00314	10.5
177.01862	42.1
178.02187	1.6
179.03412	3.3
189.02034	1.1
191.03429	17.6
192.03777	1.1
193.01332	1.2
197.04465	2.1
215.03395	2.5
217.01376	62.3
218.01654	3.4
221.25531	1.0
235.02493	1.8
259.02432	8.1
269.00803	1.1
269.06674	3.2
283.02466	2.6
287.07748	1.0
297.00339	2.2
327.05103	53.9
328.05521	5.3
337.05710	3.8
345.06122	1.3
369.06134	4.3
407.10211	1.2
417.04895	1.0
421.07925	0.9
429.08005	1.0
447.09357	3.0
465.08801	1.0
585.12897	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	583.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92404	2.6
59.01253	16.1
61.98703	100.0
70.53832	7.3
71.01249	16.9
72.99169	5.6
73.02821	5.4
76.04535	2.5
83.01249	3.1
85.02831	4.0
87.00735	2.9
89.02341	5.3
92.15882	2.3
93.03333	2.8
101.02324	9.9
113.02347	2.8
121.02818	3.7
125.02344	3.2
137.02336	7.8
149.02316	4.5
150.03160	7.4
165.05498	7.2
254.48465	2.6
271.02347	4.7
272.03360	3.5
282.01712	4.0
282.16003	2.6
283.02597	6.9
287.22244	25.9
288.22699	3.2
399.06952	2.5
421.07571	4.8
431.26416	45.3
432.26846	6.0
449.27545	51.9
450.27872	6.6
451.27982	3.1
509.27200	2.6
541.10919	2.7
583.13074	3.4
583.32599	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	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
61.98706	11.1
70.04745	0.4
71.01254	1.2
71.52623	0.9
76.96743	0.5
85.02843	0.5
93.03312	3.8
95.01347	0.6
95.04903	0.6
101.02330	0.5
104.63845	0.5
113.02377	0.5
121.02840	4.4
122.03633	12.0
123.00749	0.8
125.02339	0.9
133.02861	1.4
135.04414	0.9
136.01587	1.6
137.02344	1.4
146.06017	0.5
149.02353	18.9
149.03569	1.0
150.03134	83.0
150.26549	0.5
151.03456	4.3
151.50002	0.6
160.01486	0.5
164.04694	3.1
165.05484	100.0
166.05827	3.8
179.03215	0.7
180.04210	7.5
195.06560	68.3
196.06898	3.5
205.63261	0.5
243.06421	0.7
268.07336	1.9
269.07822	0.5
272.03180	1.0
280.07394	0.9
283.02521	1.2
283.09631	1.9
285.14920	0.6
296.06796	0.6
297.07791	0.7
301.03464	0.8
309.07547	1.2
312.06323	2.0
322.08493	0.8
323.09369	2.8
324.06320	1.0
324.09842	1.3
327.08752	6.7
327.12463	0.9
328.08890	0.9
338.11618	1.3
339.08710	8.2
339.12378	1.7
340.09216	0.8
342.11063	5.4
343.11752	0.6
354.11023	3.2
357.13437	21.3
358.13724	1.9
369.13428	22.5
370.13849	2.7
428.78607	0.6
505.18576	1.5
535.19409	1.5
583.20868	0.8
583.30878	0.7
584.22388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28085	0.7
53.01793	0.7
58.85242	0.7
59.01242	2.9
60.56688	0.7
61.98702	6.1
62.92109	0.7
67.38580	0.7
69.33822	6.8
71.01249	1.4
75.00754	1.2
82.62550	0.8
84.10232	0.7
85.02783	1.0
93.03346	6.8
105.03329	1.0
108.02077	1.6
109.02864	2.2
121.02840	15.9
122.03637	15.4
122.93950	1.0
123.00754	1.6
123.04436	1.5
124.01528	1.7
125.02380	1.2
132.02109	1.0
133.02852	2.5
134.03645	0.9
135.04385	6.8
136.01564	13.1
137.02356	3.2
139.03880	1.5
146.03656	0.7
147.04407	1.5
149.02347	33.8
149.06047	1.4
149.49574	0.8
150.03130	100.0
151.00291	4.3
151.03934	13.7
152.01109	1.6
152.04243	1.3
153.24683	0.7
154.02579	1.4
162.03149	0.9
163.03896	2.4
164.04710	7.0
165.05486	95.7
166.02629	9.1
166.05775	4.9
167.03386	3.0
172.05260	1.5
175.03947	3.7
176.04593	0.7
177.01860	1.7
177.05643	0.8
178.49208	0.6
180.04201	5.1
181.04976	11.6
182.05440	0.9
185.11688	0.9
189.05545	4.5
190.06271	5.7
193.05016	0.8
195.06549	51.2
195.27994	0.8
196.06921	2.2
205.05072	0.9
205.08647	2.2
207.06512	1.2
247.07832	0.7
272.03064	1.2
282.05292	0.9
283.02521	1.5
314.08401	1.0
315.08844	1.5
329.10474	4.2
342.11111	1.9
355.11887	0.9
356.12589	2.7
357.09662	2.4
357.13431	11.2
358.14133	0.9
372.12079	1.9
373.12936	1.6
386.13831	1.0
387.14520	25.3
388.14844	2.6
505.18854	3.6
506.19171	1.3
517.18665	2.0
535.19727	44.3
536.19855	8.1
553.19617	1.1
583.13220	1.3
583.22278	2.4
584.30249	0.9
607.75342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
61.98704	8.2
68.45150	0.5
69.34477	4.9
71.01261	2.4
73.02848	0.5
74.89626	0.5
81.83644	0.5
82.80740	0.5
85.02821	1.2
87.00735	0.6
93.03345	4.5
95.04910	0.8
101.02330	1.0
113.02338	0.7
119.36855	0.5
121.02847	7.0
122.03632	13.9
123.04451	0.9
124.01626	0.7
131.13405	0.5
133.02864	1.5
134.03709	0.6
135.04405	0.6
136.01515	1.8
137.02348	1.2
149.02345	34.4
150.03130	100.0
151.03453	3.5
160.01599	0.7
164.04710	7.4
165.05482	99.6
165.84227	0.6
166.05852	4.7
167.41490	0.5
175.03938	0.8
176.04657	0.8
177.05513	2.0
179.07094	1.2
180.04189	6.2
195.06561	49.6
196.06926	2.2
203.06961	0.6
224.06848	0.7
238.06235	0.7
240.07745	0.7
251.21739	0.7
253.08792	0.7
268.07422	3.3
279.10287	0.5
280.07474	0.7
283.09793	2.3
284.06796	0.6
287.22339	3.5
293.08151	0.6
296.06735	1.1
297.07599	0.8
297.11255	1.3
298.08569	0.6
299.09390	0.7
301.03531	0.8
307.06290	0.6
307.09726	1.4
308.07101	1.1
308.10437	2.6
309.07559	2.0
309.10904	0.6
311.05615	0.6
311.09048	1.3
312.06332	1.9
313.06729	0.6
322.08356	1.1
323.09460	4.4
323.12903	1.1
324.06482	0.9
324.09924	1.9
325.10678	2.4
326.07922	0.9
326.11554	5.0
327.08746	6.8
328.09103	0.9
338.11407	0.9
339.08655	8.8
339.12378	2.3
340.09061	1.1
341.13794	1.3
342.11081	5.3
343.11600	0.9
354.11020	3.0
355.11713	0.9
357.13425	18.9
358.13660	1.6
369.13425	21.1
370.13678	2.8
431.26425	7.0
432.26639	0.7
449.27600	9.7
457.12903	0.7
461.15411	1.1
472.14569	0.7
473.15677	0.7
475.17667	0.8
487.17688	1.2
489.15317	0.7
490.16364	0.6
505.18704	5.3
506.18848	1.0
517.18585	1.4
520.17139	0.7
535.19696	33.8
536.20056	6.1
583.21307	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	583.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10624	1.0
56.31504	0.8
59.46482	0.9
70.66473	3.2
82.42641	1.0
82.62344	0.9
88.52511	1.1
109.02839	2.2
151.00256	3.4
178.57761	1.0
193.45856	0.9
220.64371	1.0
243.03183	1.2
244.03740	1.2
256.03763	1.5
257.04462	1.4
258.01663	4.6
258.05280	1.3
259.02380	5.9
271.02429	8.7
272.03244	28.7
273.03839	8.3
283.02454	1.8
284.03256	2.4
285.04062	19.2
286.04785	12.8
287.02191	2.0
287.05554	8.1
297.04010	3.1
298.04782	1.1
299.05695	1.7
301.03506	15.6
302.03851	1.6
304.02133	1.5
313.03555	12.1
314.04144	1.5
315.05072	4.5
318.03632	3.0
325.03494	2.2
327.05206	4.9
331.04639	9.1
340.02087	1.3
343.04553	36.2
344.04901	3.1
345.05945	1.4
346.03244	1.3
355.04443	5.7
357.06192	1.3
373.05618	53.0
374.05881	3.1
376.04489	1.5
385.05621	5.3
403.06659	33.4
404.06866	4.0
415.06638	2.7
417.08054	1.3
421.07907	9.7
427.06546	2.1
433.08002	1.9
445.07776	9.4
446.08301	1.6
463.08813	55.2
464.09308	6.5
475.08777	7.9
493.03098	1.8
493.09875	27.3
494.09854	3.1
538.15302	1.2
565.11957	9.8
566.12134	2.1
583.13025	100.0
584.13318	14.2
602.33350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96545	2.2
51.87275	2.1
53.57248	2.1
59.87119	2.0
71.51127	2.7
78.95786	3.8
86.95355	2.3
107.59973	2.2
123.59374	2.4
168.00557	2.5
224.49409	2.4
229.60939	2.4
241.01126	10.7
242.06729	5.0
243.03035	4.5
244.03711	2.7
250.81071	2.4
258.01663	16.5
259.02435	23.9
271.02460	25.0
272.03268	62.2
273.03873	10.7
285.00735	4.0
285.04025	11.7
286.04868	3.0
287.02042	17.1
299.01947	2.9
300.02652	3.6
301.03516	64.5
302.03842	7.2
304.02100	5.2
313.03622	6.5
331.04593	40.0
332.04773	3.4
343.04608	11.3
373.05618	14.2
385.05142	3.5
403.06561	11.4
420.07422	2.5
421.07800	43.2
422.08316	3.9
445.07678	4.3
463.08786	26.4
466.29422	2.6
493.09732	9.2
565.12268	4.7
583.13074	100.0
584.13763	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	583.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90913	0.9
69.03307	1.2
69.27256	5.5
69.27670	1.3
71.01228	0.6
72.99204	1.2
77.96773	0.5
93.03336	11.9
95.01260	2.5
97.02823	0.8
98.19823	1.1
107.01246	0.9
109.02875	1.4
123.00757	14.5
124.01560	35.4
125.02363	21.4
126.02625	1.3
134.86893	0.7
137.02336	12.4
143.29431	0.7
149.99490	48.2
151.00142	3.0
152.00833	0.6
162.10863	0.7
167.03416	2.5
168.00554	94.6
169.01205	6.9
179.03487	1.2
201.05589	1.2
209.39427	0.6
244.03909	0.9
245.04547	1.4
258.01602	1.0
259.02435	0.9
271.02676	0.8
287.07465	0.8
301.03555	1.8
331.06680	2.4
338.35040	0.6
403.06870	0.8
445.09558	1.1
463.11166	2.7
465.55069	0.9
493.09909	1.0
507.15518	0.8
583.13013	100.0
584.13403	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	583.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29227	1.5
59.01255	1.4
59.62270	1.4
71.38197	2.0
89.03978	1.2
102.20367	1.2
108.02055	1.7
109.02805	4.7
129.53127	1.2
138.47540	1.7
163.00203	1.8
190.99718	1.7
227.03378	1.8
229.05064	1.6
230.02248	2.0
243.02937	2.2
244.03809	1.4
258.01669	31.8
259.02283	7.3
271.02542	16.7
272.03250	35.2
273.03946	11.9
283.02399	4.0
285.04022	2.9
288.02493	1.6
297.03900	3.8
298.01151	6.4
299.01840	3.1
300.08298	1.4
301.03546	100.0
302.03961	8.5
304.02261	1.7
311.01981	1.8
311.05655	3.6
313.03470	1.8
315.05054	24.0
316.05545	1.6
325.03433	4.5
331.04410	1.4
339.05032	8.8
343.04581	22.5
344.04858	1.5
357.06158	3.0
367.04559	3.8
373.05554	2.7
385.05573	9.4
403.06665	30.0
404.07254	2.1
476.68152	1.3
565.11920	4.8
583.13037	73.7
584.13300	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	583.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96807	0.5
60.64531	0.5
69.52765	1.0
69.53176	2.6
102.04472	0.6
107.03870	0.5
109.02836	1.0
109.96439	0.6
115.66622	0.5
163.00175	0.7
180.13768	0.6
215.03340	0.7
227.03505	0.8
229.01289	0.8
243.02928	2.5
244.03661	1.9
258.01712	8.5
259.02444	18.2
260.02838	1.1
269.04425	0.6
271.00272	0.4
271.02472	18.2
272.03244	45.3
273.03708	6.4
283.02417	1.4
285.00439	2.4
285.04047	3.7
286.04614	0.9
287.01987	14.3
288.02423	1.0
297.04181	1.1
298.01129	0.8
299.01926	2.2
300.02765	2.7
301.03534	53.5
302.03891	4.4
304.02267	2.9
305.02231	0.7
313.03506	3.6
315.05051	1.6
327.04977	1.0
330.03720	2.3
331.04587	34.8
332.04965	3.7
343.04694	1.9
355.04269	0.9
373.05508	1.0
385.05582	0.9
403.06750	3.7
420.06415	0.7
421.07745	79.0
422.08145	9.3
463.08853	24.1
463.15530	1.0
464.08997	3.6
493.09891	9.2
494.10046	1.0
565.11987	3.0
583.13013	100.0
584.13373	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	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
61.98703	5.3
67.29319	0.2
70.65877	0.2
70.66217	0.5
71.01262	0.5
78.95802	0.2
87.00746	0.3
90.03754	0.2
91.05403	0.9
95.01273	0.7
101.02325	0.3
108.02050	0.2
109.02824	0.6
113.02328	0.2
121.02830	0.3
123.99516	0.2
125.02360	0.2
131.01212	0.2
135.04411	32.4
136.04752	1.2
139.05399	0.2
146.02332	0.2
150.03120	0.3
151.00327	0.4
152.01036	0.4
155.04926	0.4
159.04420	0.2
165.05482	0.4
167.03445	0.4
167.05005	0.3
175.00293	0.3
175.03848	0.2
179.03401	2.4
180.04059	0.2
182.03613	0.2
183.04422	1.5
185.02374	0.4
185.11758	0.5
187.03908	0.3
195.06589	0.3
198.03223	0.3
199.03894	0.6
209.02357	0.3
211.03938	2.1
213.01872	0.4
226.02707	0.3
227.03445	4.2
228.03812	0.3
237.02034	0.4
238.02640	0.8
239.03459	0.8
253.01613	0.3
254.02187	0.8
255.02975	5.5
256.03317	0.6
258.01666	0.4
259.02463	0.8
266.02158	0.5
267.02924	0.5
271.02634	1.0
272.03110	0.9
273.04059	0.4
281.04486	0.4
282.01669	0.7
283.02463	100.0
284.02811	8.3
285.04065	0.7
296.03223	0.7
297.03949	0.9
298.01144	0.7
299.01932	0.2
301.03598	1.4
302.03769	0.3
313.03491	0.5
324.02908	0.2
325.03513	2.4
326.03940	0.3
331.04568	0.7
343.04697	0.4
355.04672	0.2
357.13620	0.3
369.32761	0.2
391.08170	0.6
403.06674	41.2
404.06979	4.3
421.07788	1.7
435.07162	0.3
463.06631	1.2
491.28757	0.3
565.09406	0.3
583.10925	8.4
583.30334	0.3
584.11322	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	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55333	0.7
54.18874	0.6
59.01254	1.9
69.45667	4.1
69.46069	1.1
71.01254	1.3
85.03428	0.7
101.02342	0.9
107.04883	1.1
108.02072	0.7
109.02876	2.3
133.02861	0.9
134.03635	3.9
135.04416	42.7
136.04771	1.8
143.44102	0.6
151.00285	1.2
161.02322	0.8
171.42734	0.7
173.06041	0.8
179.03427	15.6
180.03691	0.8
183.04462	2.5
185.02309	0.8
185.11752	0.8
199.03931	1.6
211.03929	3.3
227.03511	5.7
228.04033	1.0
229.05106	2.5
239.03384	0.9
243.03058	1.0
254.02261	1.0
255.03021	7.0
257.04688	0.8
258.01746	2.7
259.02478	10.1
267.02991	2.8
271.02509	12.6
272.03159	6.3
273.04041	26.9
274.04358	2.2
282.01526	0.9
283.02484	99.7
284.02805	8.8
285.03900	4.1
295.02618	0.9
296.03403	0.9
297.03925	2.5
298.01163	1.1
299.02011	0.9
301.03534	66.1
302.03818	5.1
304.02286	3.3
309.04129	1.5
311.02161	1.0
311.05630	0.9
313.03561	4.9
315.05115	0.9
325.03577	2.5
331.04590	26.7
332.04904	2.3
343.04611	1.6
348.45840	0.8
371.07788	1.2
373.05377	0.9
403.06686	25.4
404.07214	3.3
419.07706	1.9
421.07758	100.0
422.08151	9.6
445.11301	5.3
463.06543	3.1
475.06509	0.9
475.12683	2.3
539.12292	3.3
540.12042	0.7
565.08429	1.1
565.16302	10.8
583.10822	36.0
584.11121	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.9
61.98703	100.0
71.01252	1.2
75.00739	0.4
75.97428	0.4
87.00762	0.5
89.02335	0.8
101.02338	0.8
111.02053	0.5
111.52163	0.4
125.02381	0.4
135.04414	7.9
150.03201	0.5
179.03404	1.8
183.04597	0.5
200.25862	0.4
205.29697	0.4
211.03952	0.4
227.03529	0.9
243.03236	0.5
255.03015	1.1
271.02682	0.7
271.47519	0.4
272.03345	0.5
282.01895	0.6
283.02484	21.7
299.02011	0.5
301.03604	1.0
331.04599	0.7
343.04550	0.4
383.87219	0.4
403.06686	8.9
421.08096	1.2
421.15414	0.5
465.27380	0.5
565.16260	0.8
583.10681	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	581.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03317	1.7
59.01250	77.7
60.01577	1.5
61.98700	1.3
63.25224	0.6
64.02661	0.6
69.03325	1.7
71.01247	20.1
71.52457	0.8
72.99181	2.1
73.02814	5.2
78.95790	1.1
80.43047	0.6
81.03321	1.5
82.24800	0.6
83.01250	2.5
83.04889	0.8
83.58678	0.5
85.02824	9.0
85.99950	0.6
87.00747	6.7
89.02307	3.7
91.03881	1.7
95.01257	2.2
97.02808	2.8
99.00759	2.1
101.02310	7.1
108.02052	0.9
111.00720	0.8
112.01542	1.1
113.02312	7.1
119.03371	1.0
124.01571	4.5
125.02377	6.1
135.04472	0.7
143.03395	0.9
158.74202	0.6
161.02345	1.1
161.04431	1.1
161.05695	0.6
167.03357	0.6
171.10188	0.7
176.04633	0.6
179.03424	2.0
179.05397	0.6
194.05801	0.8
209.08118	1.8
239.16481	1.0
255.19739	1.9
257.17529	4.7
267.19672	1.2
271.19205	0.8
283.18994	1.0
285.20746	14.8
286.21045	1.5
303.21765	43.2
304.22131	4.2
315.21613	0.8
327.21783	1.2
331.21353	1.0
345.22839	3.2
429.24939	17.1
430.25021	3.7
433.44873	0.7
447.25958	100.0
448.26321	15.3
449.27252	0.7
451.85727	0.8
465.27032	38.2
466.27408	5.7
489.21460	0.5
489.26996	21.9
490.27560	3.6
507.28046	51.2
508.28308	7.8
521.29834	3.4
539.30042	0.7
581.14709	1.4
581.31860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03328	1.5
58.00463	0.6
59.01254	9.9
60.01579	0.3
61.98704	2.8
69.03336	0.7
70.43659	0.5
71.01254	11.1
72.99181	3.3
73.02446	0.3
73.02821	4.2
75.00739	0.4
78.95758	0.5
81.03323	0.3
83.01263	2.4
84.76302	0.2
85.02823	5.1
87.00764	2.2
88.98665	0.3
89.02320	3.6
95.01257	0.7
97.02819	1.1
99.00758	3.1
101.02317	5.8
111.00755	0.9
112.01559	0.3
113.02340	2.8
113.09619	0.6
115.03911	0.9
119.03370	0.4
122.74329	0.2
124.01569	0.7
125.02347	1.3
127.11166	0.8
129.71581	0.2
131.03395	0.4
131.07610	0.3
135.04482	0.2
141.01826	0.5
141.12849	0.3
143.03442	0.3
143.10628	0.5
152.01154	0.2
161.04466	0.3
167.03394	0.4
239.20132	0.3
241.21655	0.7
269.21198	3.2
285.20728	0.7
287.22281	31.1
288.22626	2.8
299.22250	0.4
301.23895	0.6
329.23215	0.4
333.29849	0.2
343.25076	0.2
412.79898	0.3
431.26407	1.9
432.26801	0.3
449.27554	22.7
450.27878	3.9
481.41617	0.3
563.30701	0.5
581.31775	100.0
582.32111	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72767	0.4
59.01255	0.8
63.96102	1.5
66.78571	0.4
67.41208	0.3
70.26733	1.3
71.01258	7.9
73.02813	1.7
76.12334	0.5
78.98463	6.3
79.95602	10.1
80.96389	72.9
81.03302	0.6
85.02821	3.7
87.00753	3.0
88.71243	0.4
94.97961	16.0
96.95890	1.2
97.02840	1.7
98.19873	0.5
99.00748	0.5
99.04391	0.4
101.02326	2.9
106.97960	3.4
108.29005	0.4
120.69299	0.4
122.97477	2.5
125.02362	2.8
127.03945	0.6
130.06003	0.4
134.97481	4.3
136.99026	1.5
143.03346	0.6
146.97491	0.4
148.99052	5.8
152.98552	7.0
164.98543	11.4
206.99643	2.2
225.00710	15.3
259.92981	0.4
278.30435	0.4
281.24902	2.7
299.04480	3.3
581.29987	100.0
582.30310	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79902	17.6
56.31913	17.3
61.98706	29.3
64.30962	17.7
69.87862	94.4
69.88418	19.4
76.52555	16.6
85.02826	23.7
98.54908	20.0
253.09341	44.6
291.19611	67.1
309.20688	100.0
364.70401	23.4
461.45181	18.3
581.26984	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	1.6
71.01257	7.2
73.02811	1.5
78.98025	0.8
78.98460	6.7
79.95599	11.0
80.96389	73.4
85.02809	2.6
87.00736	3.0
92.06158	0.4
94.97958	15.1
96.95882	0.7
97.02850	1.8
98.19748	0.9
99.00724	0.6
101.02314	3.6
106.97937	2.5
122.97468	6.3
125.02342	3.4
127.03889	1.0
128.29840	0.5
134.97459	5.3
136.99037	1.5
148.99045	6.2
152.98538	8.5
164.98544	12.9
182.99585	2.7
206.99628	3.6
225.00685	18.1
226.01033	1.0
243.01764	2.1
281.24765	3.0
282.24957	0.6
299.04388	3.3
346.45184	0.5
406.78436	0.5
440.65582	0.6
581.29987	100.0
582.30280	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	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	20.0
59.15919	12.6
61.98685	35.6
63.78908	12.5
64.88284	13.7
69.47098	90.5
71.01251	21.9
77.25580	12.2
90.34759	12.0
97.78355	11.5
98.20590	11.7
101.02377	15.8
134.03610	74.2
142.38217	13.6
149.05919	28.0
171.10126	16.6
178.02612	14.8
185.80630	15.4
193.04999	100.0
194.05498	17.2
209.08057	12.8
211.13446	21.6
253.09277	55.6
291.19620	35.6
309.20746	84.3
310.21054	11.6
343.24982	14.4
449.20309	13.7
581.27582	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36794	7.5
59.01249	9.1
61.98708	17.3
71.38997	13.4
82.73698	6.9
90.07348	8.1
101.02364	6.5
118.12920	6.6
125.88652	6.8
145.24858	6.7
153.37436	7.2
203.52058	7.3
253.09250	23.6
291.19641	40.0
309.20728	100.0
581.27600	46.2
582.27362	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09500	11.4
54.73986	10.8
59.01241	55.3
61.98700	98.1
63.18132	10.4
63.73161	10.6
68.13265	11.9
71.01248	30.4
71.52503	18.8
72.37373	11.6
75.00747	32.0
77.93893	10.5
78.95785	19.9
89.02345	17.4
95.09482	13.6
96.76018	10.5
101.02309	19.9
114.23772	13.7
139.70837	12.8
183.13857	22.9
211.13362	84.7
253.09187	56.1
272.03171	16.1
291.19580	100.0
292.19809	20.3
309.20694	42.3
527.28558	25.2
581.27808	50.6
581.36298	14.7
582.25781	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	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62393	2.9
57.31089	3.2
57.97399	3.0
59.01263	7.7
61.98678	4.0
70.38634	6.5
70.39021	10.5
71.01250	4.5
81.49639	3.3
84.25517	3.3
87.38344	3.1
101.02332	5.5
106.24896	3.9
150.84497	3.1
175.54785	3.0
176.17723	3.2
211.13359	5.1
253.09306	20.5
291.19730	22.7
299.65433	3.4
309.20715	100.0
310.20975	9.9
344.45950	3.6
424.39340	3.7
436.84818	3.2
545.29602	61.4
546.29828	12.9
581.27289	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.5
61.98698	2.9
64.97942	0.3
70.35083	1.3
71.01267	1.2
73.02833	0.5
75.00771	0.4
85.02833	0.5
89.02319	0.8
101.02305	0.5
108.02137	0.4
109.02912	0.4
110.30846	0.3
111.58878	0.5
113.02361	0.6
115.03924	0.4
121.02841	1.8
125.02369	0.4
135.04416	0.5
136.98796	0.4
147.04530	0.6
151.03990	0.6
151.25200	0.3
161.04529	0.7
167.03503	0.6
179.07124	0.8
186.37013	0.4
190.06354	0.4
193.05016	0.5
197.04579	1.1
240.04500	0.4
255.10236	0.4
269.08136	6.4
270.08600	0.8
271.09711	0.7
281.08267	1.0
283.09796	2.6
284.10049	0.5
295.09857	0.5
296.10568	0.7
298.12271	0.5
299.09216	5.2
300.09540	0.5
311.09244	7.5
311.12842	0.6
312.09738	0.6
314.11591	12.0
315.12051	1.2
325.10849	1.4
326.11548	6.9
326.15082	0.5
327.12222	1.2
328.13092	0.6
329.13931	38.9
330.14310	4.9
339.12750	0.4
341.13928	23.4
342.14169	3.0
345.06198	0.6
359.15350	0.7
389.16254	2.4
461.11478	0.5
465.10385	1.1
465.27429	0.6
521.26172	2.0
581.15485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03311	1.6
58.00473	4.7
59.01252	91.2
59.18687	0.7
60.01577	1.2
61.98704	1.4
65.86771	0.7
71.01254	65.1
71.52213	0.7
72.99181	7.5
73.02841	1.1
83.01261	2.6
85.02821	12.0
87.00760	4.2
89.02318	100.0
90.02664	1.8
95.01260	4.9
99.00796	1.2
101.02324	43.1
109.02821	1.0
113.02331	29.7
115.03900	1.0
119.03388	43.8
120.03732	1.6
123.00790	1.1
123.04398	1.4
124.01569	1.0
125.02323	1.5
131.03365	5.1
136.01563	0.7
137.02341	3.5
138.03110	1.6
139.03925	1.1
143.03406	7.1
149.04475	3.5
151.00256	1.4
151.03940	3.0
152.04735	1.1
153.01855	1.5
153.05453	2.0
159.04524	0.9
161.04469	8.9
166.02652	1.8
167.03423	1.5
171.04340	1.0
174.03107	1.0
175.03940	5.7
176.04697	0.9
177.05550	3.5
179.05551	15.0
180.04254	0.8
181.01266	0.7
181.05028	3.3
185.91606	0.7
187.03963	6.5
188.04601	2.6
189.05496	2.5
190.06250	2.9
191.03502	1.1
191.07022	2.1
193.05014	1.0
202.06259	3.2
203.07034	2.5
205.04985	5.8
205.08539	1.8
207.02953	0.9
217.08675	1.4
219.06554	1.9
220.07384	5.7
221.07890	1.0
233.08221	1.5
235.09668	5.1
272.03131	1.0
283.02710	1.3
299.02103	0.9
313.10950	1.4
327.05240	0.8
341.10272	7.1
342.10617	1.2
345.06085	1.6
355.11682	0.9
356.12595	4.1
371.10947	0.9
371.14978	3.3
386.13574	1.1
389.15976	2.2
394.96045	0.7
401.16058	53.7
402.16357	7.6
429.08093	0.9
461.11060	3.1
465.10419	2.0
465.27115	1.0
489.20221	0.8
491.11798	0.8
581.15027	8.2
581.22760	4.2
582.16010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.7
59.00949	0.7
59.01247	13.2
61.74508	0.3
63.02272	0.4
69.50658	0.5
69.51064	2.0
71.01254	10.4
72.99182	0.7
73.02838	0.6
76.60498	0.3
85.02821	1.4
87.00736	0.7
89.02316	15.4
93.03344	0.9
93.24493	0.3
95.01258	0.5
95.04894	0.7
101.02320	5.6
102.02759	0.3
105.03341	3.9
107.04926	0.5
109.02814	0.5
110.47036	0.3
113.02335	4.2
118.12272	0.4
119.03387	6.4
121.02865	0.7
123.04416	0.6
131.03392	0.8
133.02834	1.4
135.12326	0.3
143.03413	1.3
149.04498	0.8
150.03076	0.4
151.03911	10.8
161.02348	41.3
161.04494	1.0
162.02751	1.6
167.03426	0.5
176.04701	25.1
177.05070	1.7
179.03416	70.8
179.05365	2.5
180.03780	3.7
191.07060	9.6
192.07338	0.5
193.04845	0.4
194.05771	69.9
195.06123	4.2
209.08128	100.0
210.08459	5.8
269.00931	0.6
371.13553	0.7
419.15945	0.4
531.73187	0.4
581.15131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.6
61.98701	9.5
64.76347	0.8
69.03318	1.3
71.01239	2.2
71.52145	1.0
89.02280	1.6
93.03314	4.6
93.24509	0.9
93.37128	0.9
101.02328	1.7
121.02839	8.4
122.03638	16.9
123.00761	2.2
124.01536	3.0
125.02354	8.7
132.86578	0.9
133.02843	1.6
136.01527	1.1
137.02354	1.5
141.24422	1.1
147.04402	2.7
149.01231	1.7
149.02353	24.8
149.99557	4.4
150.03127	95.5
151.03464	4.2
162.03069	0.8
164.04668	4.7
165.05484	100.0
166.05789	5.6
167.03273	0.9
168.00558	7.1
175.02516	1.4
175.03923	18.3
176.04506	1.4
177.05466	2.2
179.03435	1.3
180.04242	6.9
181.04892	2.4
188.04655	1.5
190.06238	5.3
195.06560	52.1
196.06902	3.7
218.05780	6.5
222.05199	8.1
237.05550	1.4
238.06297	1.2
241.04839	1.5
253.04948	1.1
263.03366	1.0
265.05084	2.0
266.05872	2.9
277.05011	1.4
278.05713	3.8
279.06543	2.4
281.04507	3.3
281.08047	1.9
282.05362	1.8
294.05289	1.5
295.06290	1.5
295.09656	2.6
297.07632	1.7
306.05377	5.1
307.06079	4.9
308.06769	1.6
309.04056	3.6
309.07712	2.7
310.04721	2.6
311.05304	1.0
320.06927	1.8
321.07690	14.7
322.04880	1.3
322.08231	4.8
323.05692	1.5
323.09152	6.8
324.06326	5.5
324.09918	3.8
325.07147	15.0
326.07770	2.9
335.09235	2.1
336.10107	7.1
337.07108	12.1
337.10760	3.3
338.07669	1.4
339.08685	10.5
340.09457	8.9
341.10138	3.1
351.08896	1.2
352.09409	3.5
353.10223	2.8
354.11142	8.9
355.11884	32.9
356.12140	3.4
367.11865	45.8
368.12073	5.3
473.12494	1.2
488.08405	1.0
488.14456	2.1
503.17194	21.4
504.17337	2.5
511.63376	0.9
515.16858	3.2
533.18170	28.1
534.18561	5.7
551.19318	14.6
551.80670	0.9
552.19476	3.8
581.20819	33.2
582.21149	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	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36971	1.3
55.01773	2.1
57.03323	3.6
58.00476	1.7
59.01251	50.1
61.98701	24.4
71.01252	56.8
71.04877	1.8
72.99165	4.1
73.02813	7.4
75.00733	10.7
81.03350	1.4
83.01257	5.6
85.02824	19.5
87.00747	2.4
89.01836	2.1
89.02327	30.3
95.01266	4.0
95.04919	1.3
96.95902	2.3
97.02839	2.1
99.00756	3.7
101.02324	34.6
101.02991	1.7
102.32115	1.6
109.02812	1.8
110.51762	1.6
113.02338	19.5
119.03371	12.8
125.02370	1.7
129.01778	2.4
136.01563	2.4
137.02380	1.7
143.03371	3.5
145.24007	1.5
151.03853	3.4
156.53445	1.7
159.02893	3.0
160.48820	1.4
161.04469	12.5
167.03349	4.1
171.10175	4.6
178.97653	1.4
179.05498	4.1
229.14374	2.6
237.14931	1.5
253.09293	7.6
285.04062	3.4
288.15289	1.8
309.07693	2.1
339.12073	2.9
343.21213	22.2
356.72943	1.5
357.13434	5.1
417.24911	28.1
418.25510	2.8
503.24701	2.6
579.30182	100.0
580.30542	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	581.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.4
60.24653	1.0
61.98700	11.5
68.99683	16.9
71.01254	2.8
71.52239	1.5
73.02858	1.4
79.95560	1.2
80.02534	1.6
85.02802	1.3
87.00764	1.9
93.03322	1.8
96.95913	2.8
99.96016	1.1
101.02320	2.4
108.02057	32.1
109.02888	5.6
117.03324	2.0
121.02842	2.4
122.03619	3.5
123.00769	15.1
123.04403	29.7
124.04769	1.5
124.19724	1.2
125.02284	1.4
132.02065	4.5
133.02800	2.1
134.03598	1.6
136.01555	1.2
138.02045	2.7
138.03123	43.6
139.03456	2.2
147.04407	2.9
148.01573	1.5
150.03137	14.2
152.01047	3.2
153.05450	1.2
160.01588	1.8
161.02385	11.0
162.03137	29.5
163.03923	14.1
165.01875	1.3
165.05502	2.8
167.03426	3.1
175.03912	1.8
177.05487	41.9
178.02620	35.2
178.05824	2.2
179.03377	5.5
179.07101	1.8
193.04994	100.0
194.05336	6.3
207.06610	1.7
268.07413	3.5
283.09836	2.5
308.06912	1.4
309.07693	2.4
312.06384	2.9
316.40707	1.2
322.08401	1.3
323.09268	4.9
324.06506	1.9
324.09973	2.4
327.08771	9.6
339.08737	11.9
339.12451	1.5
340.09009	1.9
342.11008	7.7
354.11282	4.0
357.13470	16.4
358.13940	1.8
369.13467	14.2
415.54031	1.3
535.43683	1.3
581.20380	40.9
581.30536	4.0
582.20526	8.8
583.09277	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
63.96118	0.8
69.03318	0.7
69.80548	1.7
71.01252	5.3
72.39633	0.4
72.99174	0.4
73.02817	1.6
73.27459	0.5
78.98463	4.8
79.95603	7.9
80.96392	59.7
81.03334	0.9
85.02825	2.5
87.00765	2.3
93.99043	0.4
94.97959	14.5
96.95876	0.6
97.02816	1.3
97.28922	0.4
99.00740	0.6
101.02353	2.2
102.98249	0.4
106.97985	2.7
122.97493	5.0
125.02335	1.4
127.03941	0.5
134.04813	0.4
134.97473	3.2
136.99057	0.9
148.99046	5.4
152.98528	6.0
158.82027	0.4
164.98555	9.1
167.00006	0.5
182.99622	2.1
206.99683	2.5
225.00699	14.0
226.00955	0.6
243.01794	1.3
279.23300	2.3
299.04556	2.0
540.44403	0.4
541.89136	0.5
579.28430	100.0
580.28778	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96115	0.8
71.01252	6.7
71.28992	0.7
73.02817	1.6
78.98457	5.3
79.95602	8.9
80.96391	67.5
81.03333	0.8
85.02830	2.2
87.00776	2.8
94.97965	14.2
96.95911	1.1
97.02833	1.2
97.12410	0.5
99.00742	0.8
101.02311	2.4
106.97969	2.8
107.33429	0.6
122.97473	4.4
125.02368	3.5
127.03894	0.9
134.97479	4.3
136.99011	1.2
146.97330	0.6
148.99051	6.0
152.98529	6.9
164.98543	10.1
165.51413	0.5
182.99600	3.0
206.99631	2.7
225.00705	14.1
243.01698	1.3
271.62833	0.5
279.23419	2.8
299.04410	2.3
508.92108	0.6
579.28436	100.0
580.28754	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01243	1.4
61.98703	26.7
63.96115	1.7
69.03338	0.8
71.00127	0.5
71.00469	0.8
71.01250	8.0
73.02814	2.1
78.98464	6.1
79.95123	0.5
79.95606	10.1
80.96391	70.5
81.03321	1.0
81.96320	0.5
83.01250	0.4
85.02819	3.1
87.00736	2.8
93.15967	0.4
94.97960	17.6
95.01268	0.6
96.95891	1.4
97.02843	1.6
101.02342	2.3
106.97966	3.4
109.15533	0.4
110.53640	0.4
122.97488	3.0
125.02323	2.4
127.03870	0.9
131.14734	0.5
134.97481	6.0
136.99026	1.2
148.99051	5.8
152.98514	5.7
164.98541	13.2
167.00131	1.0
181.46906	0.4
188.98587	0.6
206.99640	2.5
225.00694	14.8
225.44333	0.5
226.00977	0.4
274.25803	0.5
276.28046	0.4
279.23257	2.1
281.24765	1.8
289.37933	0.4
294.74353	0.5
299.04428	2.6
318.13019	0.5
506.32236	1.4
579.28430	100.0
580.28711	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	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.8
59.57265	0.9
61.98685	3.5
70.29030	0.8
71.01260	6.5
71.23089	0.9
71.23415	0.9
72.99184	0.9
73.02824	1.2
83.04931	1.1
83.08960	0.8
87.68331	0.9
89.02312	6.1
99.08035	4.3
99.89838	1.0
101.02324	8.0
108.02036	1.8
113.02319	3.2
116.00587	0.9
119.03387	0.9
121.10096	2.0
125.09549	1.1
137.09602	1.2
143.03349	1.2
152.01021	2.2
161.04436	3.1
171.10191	25.6
193.12242	8.4
205.42284	0.9
211.13300	2.4
225.14894	9.8
243.15942	4.6
253.09256	33.3
254.09554	1.3
289.18076	17.0
290.18240	1.9
293.21155	2.2
307.19205	1.5
343.24878	100.0
344.25162	8.8
474.57590	1.0
525.26642	1.5
543.26813	1.1
553.59088	1.0
579.26239	4.5
604.70459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53669	5.0
52.90077	6.5
59.01254	50.8
61.98702	43.9
67.65619	6.5
71.01243	19.0
71.52141	10.2
78.95770	7.2
89.02335	12.3
93.03340	6.7
101.02364	15.2
107.39366	6.9
109.02827	77.2
123.04419	7.3
128.03435	8.7
135.02866	9.9
142.60442	6.0
161.04414	10.7
163.11139	5.4
185.11752	6.6
191.14412	11.5
209.11803	31.8
211.13333	9.5
245.19141	10.3
253.09320	51.0
272.03366	11.7
285.03983	7.0
289.18048	72.0
296.11554	16.7
307.19122	100.0
308.19446	10.8
375.28085	6.1
378.69327	6.5
430.27423	7.8
579.25220	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	6.9
59.01248	100.0
61.98711	31.5
70.98409	3.9
71.01251	80.1
71.01622	6.3
71.06672	7.1
72.07678	3.0
72.99197	9.3
73.02824	6.1
75.00759	11.8
82.02274	3.2
83.01266	8.3
83.04881	4.4
85.02827	15.7
86.95142	3.3
87.00759	5.1
87.59464	3.0
89.02319	85.1
95.01290	4.6
96.95894	12.0
99.00816	4.0
101.02319	35.4
113.02331	32.3
119.03413	30.5
120.01122	7.7
120.66265	3.4
123.00830	3.9
123.04434	6.6
125.02364	7.7
133.02895	7.9
137.02353	4.1
143.03426	6.6
149.02370	3.6
149.04408	5.6
151.00348	3.2
161.04448	10.8
166.02596	5.6
167.03381	8.4
171.10124	16.4
179.05496	35.2
181.05011	5.3
192.43910	3.3
203.07120	4.4
207.94475	3.1
209.11864	5.9
211.13380	7.7
229.14452	7.8
237.14767	5.1
249.14992	3.5
253.09303	27.0
269.04611	3.6
284.03128	5.1
285.04062	92.2
286.04416	10.6
309.11234	8.2
325.20236	7.1
332.06058	3.8
339.12332	23.7
343.21252	71.5
344.21594	6.7
388.54349	3.4
417.15579	10.1
489.17490	4.2
501.17749	5.6
579.16705	9.8
579.30328	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	579.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88111	0.3
58.50551	0.2
59.01252	100.0
60.01593	1.0
61.98713	0.5
71.01266	0.8
75.00737	0.5
78.95755	0.3
82.46405	0.3
83.01296	0.2
83.02374	0.2
85.66851	0.2
88.00274	0.3
93.03346	0.5
96.95885	0.6
110.02371	0.3
121.02884	1.1
125.02374	0.5
126.90336	0.9
127.05041	0.5
128.03470	0.4
137.02361	1.2
145.02838	0.5
161.04485	0.4
175.03911	1.7
190.06349	0.8
221.06339	0.4
222.05421	1.1
227.03505	0.5
235.07687	0.6
250.06219	0.3
251.07291	0.6
253.08871	0.6
255.03069	1.0
263.07205	1.0
265.05374	0.3
267.06763	0.5
269.08078	1.8
278.09784	0.3
279.06583	1.7
280.07324	0.5
281.08182	2.7
282.08896	0.6
283.09723	0.5
284.03113	1.3
285.04007	0.6
291.06775	0.7
292.07306	0.5
293.08328	0.9
294.08963	1.4
295.09796	0.4
296.10583	1.0
297.07724	7.1
297.11105	0.7
298.08127	0.9
308.10614	1.0
309.07767	12.5
309.11414	2.5
310.08069	1.4
311.09470	0.5
312.10031	8.1
313.10556	1.0
313.81760	0.3
315.60757	0.3
323.09265	2.6
324.10007	8.7
325.10522	1.1
327.12375	33.3
328.12750	3.9
339.12360	30.1
340.12726	4.2
419.06250	0.3
579.14093	1.1
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
52.91864	0.3
59.01239	0.8
61.58122	0.3
61.98702	100.0
63.96105	0.5
66.91315	0.3
71.01257	3.8
71.09296	0.4
78.98474	2.3
79.95612	5.1
80.96389	29.5
85.02833	1.5
87.00759	1.2
94.97961	6.8
95.09042	0.3
96.95921	0.9
97.02818	0.4
100.93247	0.4
101.02319	0.9
106.97975	1.1
114.94485	0.4
116.63111	0.4
117.01786	0.4
122.97488	1.3
125.02326	1.1
134.97504	1.8
136.99059	0.7
148.99060	2.5
152.98511	2.2
164.98532	4.7
206.99635	0.8
225.00713	5.7
253.09427	0.4
279.23257	1.8
280.23633	1.4
281.23981	0.6
299.04440	1.1
520.65448	0.4
567.32996	0.4
579.28430	49.8
589.40900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.0
61.98705	5.2
63.99120	0.8
66.65491	0.3
69.36185	0.4
71.01237	1.0
71.52052	0.4
71.52510	0.4
78.00635	0.4
78.95776	22.1
78.98472	0.8
79.95613	1.2
80.24986	0.4
80.96397	8.0
82.95953	0.8
85.02833	0.6
93.77200	0.5
94.82304	0.4
94.97961	1.4
96.96838	0.5
103.77096	0.4
103.87777	0.4
115.60135	0.4
122.97467	0.6
122.98439	0.5
152.98421	0.7
152.99548	3.4
164.98543	1.4
168.04242	3.2
181.60707	0.4
188.89571	0.4
224.06870	9.1
225.00728	1.6
225.07118	0.5
242.07951	2.1
261.22327	0.7
267.95932	0.4
279.23288	100.0
280.23602	10.1
285.82870	0.4
504.30963	59.8
505.24365	0.8
505.31284	10.3
578.27216	11.4
578.36328	0.6
579.27826	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	577.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.0
65.81819	0.6
71.01256	2.7
72.14661	0.6
73.02824	0.7
78.08929	0.5
87.61481	0.5
89.02313	2.1
89.08534	0.6
95.01267	0.8
98.20705	1.2
101.02326	3.8
119.03396	0.6
161.04472	0.8
229.41228	0.6
235.08310	1.9
253.09276	13.6
281.24860	100.0
282.25162	10.3
577.26807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03313	0.8
58.00477	0.4
58.69875	0.3
59.01247	8.0
61.98697	0.7
69.03333	1.9
69.34999	2.4
71.01255	5.6
73.02818	1.1
76.21029	0.3
81.03336	0.4
83.01269	0.9
83.04897	1.1
84.02033	1.2
85.02818	1.3
87.00768	0.7
89.02312	6.3
93.03336	0.3
95.01271	0.6
95.04904	0.4
97.02833	0.5
97.06464	8.7
99.04379	0.8
101.01700	0.5
101.02328	6.0
102.02634	0.4
111.00758	1.7
111.08006	0.3
113.02330	2.7
117.03377	0.2
119.03386	1.6
121.10096	0.3
125.09610	1.5
127.11176	0.4
137.09596	1.1
143.03426	0.5
149.13315	0.3
150.43478	0.2
151.11131	0.3
161.04485	2.8
163.11111	0.3
165.12753	0.5
171.10191	6.5
172.10483	0.3
175.11234	0.8
177.12796	0.6
179.05540	0.7
181.12352	0.3
183.13817	0.5
185.11748	0.5
193.12268	12.6
194.12605	0.8
197.11684	0.4
197.15353	0.6
203.10678	0.3
211.13336	3.4
221.11761	1.2
225.14917	18.4
226.15268	1.1
243.16014	8.5
244.16183	0.4
253.09279	27.0
253.14430	1.7
254.09621	1.5
291.19684	1.2
305.21106	0.5
323.22192	0.5
341.23309	100.0
342.23676	10.5
577.31738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
55.03951	0.4
58.00464	0.7
59.01251	9.6
61.98686	1.0
67.01754	0.4
69.03309	0.7
70.39583	1.4
71.01259	5.2
72.99143	0.5
73.02808	0.8
74.06809	0.4
83.01233	0.7
83.04894	0.7
84.02039	5.4
85.02830	1.6
87.00742	0.7
89.02317	4.9
89.62474	0.4
95.01246	0.6
97.02832	1.5
97.06470	5.3
99.04384	1.6
101.02329	5.6
111.00768	2.9
113.02336	2.7
119.03381	0.9
119.08575	0.7
125.09592	0.7
127.11201	0.5
135.08038	0.4
137.02354	0.9
137.09634	0.7
143.03416	0.5
157.12930	0.4
161.04460	3.0
165.12741	0.9
171.10194	19.2
172.10580	1.2
179.05502	1.0
183.13838	1.1
185.11748	0.7
193.12267	6.8
194.12582	0.5
211.13405	2.9
214.36966	0.4
221.11778	0.9
225.14903	10.4
226.15265	1.2
243.16020	4.9
253.09251	27.2
253.14606	0.8
254.09593	2.1
291.19635	1.7
323.22531	0.8
341.23306	100.0
342.23657	12.5
355.24954	0.8
357.16928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20225	0.6
55.01749	1.8
57.03313	1.8
58.00462	5.2
59.01252	100.0
60.01603	1.3
61.98704	25.4
62.80672	0.6
69.50950	3.4
69.51361	1.6
71.01254	72.0
72.01590	1.2
72.99182	6.8
73.02824	4.2
73.03175	0.7
75.00750	1.7
83.01253	3.3
85.02820	12.0
87.00731	4.6
89.02317	98.0
90.02666	2.0
95.01260	4.7
97.02807	1.1
97.69259	0.7
98.19820	1.2
101.02322	49.2
102.02684	0.9
103.21666	0.7
106.06471	0.7
113.02332	30.5
117.03365	1.0
119.03387	45.5
120.03679	0.8
124.16505	0.6
125.02341	1.5
130.82793	0.7
131.03387	4.7
132.14079	0.6
137.02324	1.0
143.03404	8.3
149.04445	3.0
149.92520	0.6
161.04488	8.0
163.06061	2.3
179.03148	0.8
179.05540	21.3
180.05876	1.0
268.03748	1.4
269.04517	5.9
283.02527	4.2
301.03271	1.2
397.22433	0.8
403.06793	1.3
415.23245	2.9
416.23871	0.8
577.15710	3.7
577.28589	25.2
578.28894	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77198	0.4
61.98703	6.9
63.96108	1.5
71.01252	8.4
73.02819	2.2
78.98463	7.3
79.95607	11.3
80.57768	0.4
80.96392	82.2
81.03333	0.6
83.01251	0.4
85.02819	2.8
87.00732	3.2
91.03925	0.4
94.58408	0.4
94.97959	18.7
96.95901	0.7
97.02853	1.6
99.00791	0.4
99.04435	0.4
101.02331	2.4
106.97964	4.3
110.70974	0.5
113.02361	0.6
122.97482	3.5
125.02345	3.1
127.03885	1.0
131.68396	0.4
134.97472	5.9
136.99051	1.8
146.97359	0.4
148.99045	6.6
152.98531	6.8
164.98541	13.1
188.98537	0.4
198.35931	0.4
206.99586	2.4
225.00685	16.8
226.00897	0.5
232.86469	0.4
276.79358	0.5
277.21732	1.6
299.04407	3.6
577.26862	100.0
578.27222	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45542	0.5
58.12223	0.5
59.01242	1.1
59.43037	0.4
60.36229	0.4
63.96107	1.1
69.03329	0.9
69.51289	3.3
71.01245	7.4
73.02801	2.6
76.52460	0.4
78.98460	6.1
79.95604	10.8
79.96039	0.9
80.96388	74.8
81.03342	0.9
83.38815	0.5
85.02820	3.8
87.00742	3.7
94.22323	0.4
94.97959	18.9
96.95887	1.0
97.02820	2.2
99.00786	0.9
101.02332	2.5
106.97947	3.6
122.97477	6.1
124.56469	0.5
125.02331	3.4
127.03898	0.9
134.97478	6.8
136.99083	0.7
148.99052	7.0
152.98532	8.9
164.98540	13.4
167.00073	0.8
167.28104	0.5
182.99567	3.2
206.99614	3.6
225.00697	22.3
226.00874	0.6
232.07072	0.5
243.01750	2.3
277.21774	3.4
299.04456	3.4
577.26831	100.0
578.27130	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	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.8
61.98696	0.4
69.03326	0.1
71.01247	0.9
72.99194	0.3
73.02812	0.3
83.01247	0.1
85.02831	0.4
87.00727	0.1
89.02294	0.2
93.03335	36.1
94.03674	1.1
98.19838	0.3
99.00748	0.4
101.02329	0.4
108.02073	0.1
111.00775	0.2
113.02326	0.5
117.91418	0.1
137.02344	100.0
138.02676	4.1
148.05203	3.6
149.05594	0.1
155.88329	0.1
159.02927	0.1
161.04483	0.2
163.07564	2.5
164.07852	0.1
171.10196	0.7
253.09341	0.3
341.23343	0.3
392.43323	0.1
420.17612	0.1
439.16196	0.2
457.17215	0.4
577.19244	1.9
578.19574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13207	0.2
57.03299	0.7
59.01251	2.9
61.98697	1.2
69.65385	1.0
71.01261	1.4
72.99158	0.5
73.02789	0.2
75.00773	0.2
85.02824	0.4
87.00724	0.3
88.98687	0.3
89.02309	1.3
95.01235	0.3
96.95911	0.2
99.04382	0.5
101.02320	1.0
105.01787	0.5
107.74882	0.2
109.02834	0.6
111.00749	0.2
113.02337	0.7
113.23962	0.2
119.03397	0.6
121.02810	0.2
123.04393	0.2
125.02271	0.2
133.02859	0.3
134.03630	0.6
135.04424	0.4
137.02350	0.2
148.01503	0.3
151.05930	0.2
155.04910	0.2
160.01576	1.6
161.02359	0.8
161.04485	0.3
167.04948	0.3
171.04424	0.3
171.10165	0.3
173.11739	0.5
175.00314	0.4
175.03915	2.1
179.03500	0.3
179.05580	0.4
179.07071	0.6
183.04460	2.3
185.02379	0.3
187.04013	0.2
193.04993	0.5
199.03917	1.1
209.02446	0.4
210.03163	0.2
211.03937	2.9
212.04210	0.3
213.01770	0.3
215.03516	0.4
226.02718	0.2
227.03444	6.8
228.03777	0.5
237.01942	0.5
238.02637	1.3
239.03505	1.7
239.09169	0.5
241.04871	0.2
243.02977	0.6
253.01279	0.2
253.09239	0.3
254.02168	1.1
255.02969	10.1
256.03299	0.9
258.01602	2.0
259.02454	2.0
264.25012	0.2
266.02176	0.8
267.02957	1.2
268.03766	0.5
269.04547	0.4
271.02493	3.4
272.03220	4.0
273.03714	0.4
281.04562	0.7
282.01669	1.0
283.02463	100.0
284.02823	8.5
285.03995	1.8
295.02417	0.4
296.03192	1.7
297.03949	1.8
298.01331	1.1
298.04340	0.4
299.01865	0.5
301.03522	1.1
311.01981	1.1
312.02548	0.3
313.03476	1.3
315.05276	0.3
324.02710	0.5
325.03543	6.3
326.03922	0.5
331.04523	0.8
337.09274	0.6
341.19763	0.4
355.04526	1.0
385.05655	0.7
403.06696	14.3
404.06805	1.5
415.23419	0.2
429.15533	4.7
429.21375	0.2
430.15930	0.6
457.15063	15.7
458.15384	1.9
469.14981	1.0
487.16104	1.6
517.17322	0.3
559.18243	1.3
577.19244	37.5
578.19562	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	577.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59593	0.3
55.01757	0.8
57.01441	0.4
57.03310	0.9
59.01260	2.4
61.38879	0.4
70.10886	1.6
71.01254	2.9
72.99179	26.9
73.02840	0.5
73.99512	0.7
75.00742	2.9
85.02825	1.5
89.02309	1.5
93.03333	51.0
94.03699	1.5
96.95926	0.5
97.02773	0.4
99.00756	0.5
101.02327	1.3
108.02084	0.5
113.02326	4.6
117.03299	1.7
119.04913	100.0
119.95226	0.4
120.05251	4.7
121.02831	1.2
121.68614	0.4
127.07547	0.6
131.03371	0.9
133.06496	0.5
137.02341	55.3
138.02728	2.0
145.02849	4.2
149.04498	0.5
161.05954	0.5
162.03156	1.5
163.03917	71.3
164.04251	3.5
174.27663	0.4
176.01028	0.4
179.05487	0.5
187.03992	0.5
205.05017	0.5
219.06555	0.6
276.99814	0.5
277.07291	2.6
283.02582	2.7
284.02591	2.6
285.02930	2.6
307.08160	1.2
325.09256	1.3
360.48370	0.5
404.06860	0.5
405.07263	1.3
421.11703	0.6
439.12411	17.8
439.18402	0.9
440.12885	2.5
447.26453	0.5
457.13559	22.6
458.13712	3.2
577.15558	26.3
578.15869	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	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
59.01254	3.7
61.98697	2.6
69.03336	0.5
71.01257	2.9
71.52256	0.7
72.99173	1.2
73.02812	0.9
73.36649	0.4
74.02359	0.5
77.95130	0.4
78.95770	0.8
81.03320	0.4
81.21008	0.4
82.26197	0.4
83.01270	1.0
85.02817	2.6
87.00781	1.1
89.02318	1.3
93.03342	0.6
95.01266	1.6
96.95869	0.6
96.96809	0.5
99.00773	0.6
101.02332	1.7
104.75492	0.4
108.02052	55.2
109.02898	8.1
113.02341	2.3
114.31358	0.4
119.04949	0.6
121.02857	4.2
122.03596	0.5
123.04498	0.4
125.02333	1.1
134.03630	0.7
135.04369	1.0
137.02315	0.9
143.04489	0.7
147.04419	16.5
148.04822	0.9
152.01054	100.0
153.01564	4.2
161.02472	0.5
161.04388	0.5
163.03914	3.8
165.01787	0.5
177.01825	1.1
179.03374	0.8
180.07608	0.5
207.02867	0.5
253.09471	0.7
283.02444	1.0
297.06232	0.9
315.07303	1.3
341.19659	1.2
411.09430	0.4
415.23499	0.5
429.10352	26.4
430.10767	2.6
569.38843	0.5
577.15582	70.8
578.15942	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	577.1353
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.89144	0.6
57.03323	14.7
59.01255	4.0
59.28224	0.8
71.01251	3.0
71.22756	1.5
73.86478	0.6
81.03336	2.1
83.01263	4.5
89.02328	2.8
93.03341	1.9
95.04906	2.4
95.05452	0.7
96.95868	0.9
97.02840	3.1
99.04402	0.8
101.02323	1.4
107.04914	0.7
109.02834	17.6
111.00800	0.7
113.02312	0.9
117.03345	0.8
121.02834	3.3
122.03628	1.0
123.00747	0.8
123.04411	11.2
125.02337	100.0
126.02660	3.9
131.78951	0.7
132.26184	0.6
133.02853	3.0
135.04411	2.2
137.02342	20.1
138.03149	0.8
139.03911	1.7
145.02927	0.8
146.03622	0.7
149.02380	4.1
149.04466	0.8
150.03113	0.8
151.03929	8.7
159.04427	2.5
161.02353	23.1
161.05965	3.9
162.02989	1.6
163.00343	1.4
163.03925	2.7
164.01077	5.1
165.01883	4.6
167.03384	2.5
173.05972	1.1
175.02515	0.9
175.03940	7.2
175.07492	1.0
176.00943	0.7
177.01906	4.1
177.05472	1.0
179.03433	3.8
185.05978	0.9
187.03911	5.3
188.04742	3.3
193.04990	0.8
199.03865	0.9
199.07648	0.9
201.05505	1.9
202.06299	1.5
203.03392	0.9
203.07071	8.9
205.01273	0.8
205.04950	5.6
205.12305	0.8
213.05469	1.2
217.05092	1.6
219.03011	0.6
221.08167	1.1
227.07111	1.3
228.04272	0.9
229.05005	2.2
230.05751	1.2
243.02980	2.5
245.04541	2.9
245.08191	8.5
255.03030	5.4
256.03796	3.0
257.04410	1.6
269.04630	1.7
271.06171	1.2
273.03970	4.8
281.04593	3.1
283.02512	4.3
283.05484	0.8
285.03995	2.1
285.07327	0.8
287.05649	6.7
288.05948	0.9
289.07175	48.8
290.07620	4.7
293.08560	0.9
297.03961	1.2
299.02347	1.2
299.05441	4.5
311.05872	0.9
329.06720	0.9
339.08774	2.2
341.06552	1.1
381.09775	1.8
403.06653	0.9
407.07700	38.7
408.07938	4.6
425.08755	14.7
426.09222	1.9
451.10428	8.7
452.10712	1.1
559.12189	1.0
577.13641	5.3
578.14227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26369	0.3
56.46475	0.3
59.01253	0.4
61.22765	0.3
61.98703	100.0
110.23965	0.3
129.55507	0.3
142.69249	0.3
277.21814	0.8
278.22067	1.4
279.22357	0.6
280.22708	0.5
362.09372	0.3
424.41144	0.3
549.24902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.12
Annotation	1,3-Dihydroxy-2-carbomethoxy-9,10-anthraquinone 3-O-beta-primeveroside
Peak:m/z	Relative Intensity
52.33092	0.4
58.89396	0.3
59.01246	0.5
66.36070	0.3
66.73039	0.3
69.46167	2.4
71.01266	0.6
89.02342	0.6
93.03315	0.5
96.99466	0.3
109.02821	0.5
146.91000	0.3
167.04958	0.5
183.04454	2.0
185.02464	0.3
191.05472	0.5
199.03995	0.7
211.03900	2.6
213.01892	0.6
227.03461	4.9
228.03819	0.6
237.01863	0.4
238.02695	1.3
239.03413	1.2
243.02895	0.5
249.46384	0.3
254.02155	1.4
255.02980	9.0
256.03400	0.4
258.01764	0.7
259.02463	0.9
266.02206	0.7
267.02850	0.8
268.03687	0.4
271.02551	1.0
272.03168	0.9
281.04407	0.6
282.01901	0.5
283.02469	100.0
284.02829	8.6
285.04007	1.3
296.03143	0.8
297.04031	1.0
298.01099	0.7
301.03513	1.3
313.03592	0.9
325.03500	5.6
355.04489	0.6
385.05673	0.4
403.06696	22.7
404.07001	2.7
429.08359	1.2
457.07764	3.8
458.07648	0.5
517.23254	1.0
577.11981	25.7
578.12286	4.7
578.43402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	16.7
71.22682	3.4
74.98508	1.7
76.34365	1.8
80.58710	1.8
81.03320	3.0
83.01259	7.4
88.32910	1.7
93.03305	3.7
94.38389	1.8
95.01238	1.7
95.04908	5.4
97.02832	6.0
103.77238	1.8
108.02021	2.2
109.02836	19.1
121.02852	1.9
123.04411	14.4
125.02338	100.0
126.02670	4.0
133.02850	6.3
135.04500	2.3
137.02341	19.8
139.03912	2.9
149.02348	5.8
151.03915	14.0
159.04433	3.6
161.02356	28.6
161.06003	5.3
162.03113	2.7
163.00362	2.8
163.03934	5.0
164.01009	3.6
165.01837	2.7
175.03923	10.4
175.07677	2.0
177.01862	4.6
179.03435	3.8
187.03938	6.8
188.04633	6.3
197.42221	1.6
199.03963	1.7
201.05452	2.4
203.03244	1.9
203.07028	7.5
205.05008	6.9
215.03386	2.1
217.05095	1.9
221.08264	2.2
228.04323	2.7
243.02940	2.3
245.04596	4.1
245.08167	9.6
255.02907	9.4
256.03662	6.4
259.02942	1.9
269.04501	3.5
273.03943	3.5
278.16803	1.9
281.04636	2.7
287.05634	6.7
289.07190	63.1
290.07489	5.0
299.05432	8.6
316.14001	2.0
329.06393	2.3
339.08710	3.7
381.09607	3.1
407.07697	56.4
408.08069	7.2
425.08786	23.0
451.10474	11.1
577.13385	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	575.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
59.01247	13.0
61.98692	2.4
64.01530	0.4
69.03318	0.5
71.01249	8.4
72.99158	0.8
73.02813	1.3
80.02578	0.6
81.03327	1.5
83.01271	1.3
83.04887	0.9
85.02800	2.7
87.00744	1.2
88.98675	0.8
89.02317	7.2
95.01271	1.1
95.04891	1.3
97.02830	2.6
97.06451	0.9
101.02317	9.0
101.02935	0.9
107.04917	0.6
109.06478	1.1
111.00751	0.6
112.98274	0.5
113.02321	4.5
119.03391	2.1
121.06474	1.0
123.04400	1.9
123.08043	1.0
125.05949	0.9
125.09613	4.5
135.08112	0.9
137.09622	3.2
139.07500	1.4
141.12743	0.8
143.03384	0.7
149.09642	0.5
151.11244	0.7
155.10669	1.4
161.04459	3.7
162.10349	0.6
163.07574	0.9
163.11209	5.1
164.08154	0.5
165.09125	0.9
165.12718	0.5
171.10182	1.4
173.09695	0.6
177.12723	0.8
179.05501	1.3
179.10687	0.9
181.12238	0.8
185.11758	6.1
191.10689	1.6
191.14331	7.9
192.14745	0.5
201.15668	0.5
207.10179	3.5
209.11687	0.7
215.62979	0.5
217.15903	0.7
225.11270	2.7
243.17558	0.6
245.19069	20.1
246.19362	2.0
247.16942	0.7
253.09264	33.2
254.09604	1.7
271.17145	1.7
279.19608	0.7
289.18091	56.1
290.18408	5.0
301.03937	0.6
307.19180	17.2
308.19519	1.9
321.20667	8.3
322.21033	0.8
324.19360	1.6
333.88269	0.5
339.21735	100.0
340.22076	12.2
493.40134	0.5
515.70679	0.5
525.27142	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66885	0.2
54.74264	0.2
58.18969	0.2
59.01250	0.8
61.98705	100.0
62.98393	0.2
69.38036	0.2
70.28181	0.8
71.01252	0.9
73.02831	0.4
76.15136	0.2
78.98470	0.6
79.95592	1.0
80.96394	6.3
85.02856	0.3
87.00790	0.2
94.97966	1.6
101.02346	0.3
106.97995	0.3
122.97542	0.4
125.02345	0.3
134.97516	0.4
147.93436	0.2
148.99089	0.6
152.98581	0.4
159.90669	0.2
163.36046	0.2
164.97438	0.2
164.98572	1.1
167.40561	0.2
206.99741	0.3
225.00639	1.3
259.61218	0.2
277.21637	0.9
278.22098	1.7
279.22403	1.3
280.22736	0.7
405.42804	0.2
577.26874	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04736	0.5
53.48600	0.6
55.39832	0.5
57.03318	1.6
59.01252	11.2
61.98707	3.8
70.72277	0.9
70.72610	1.0
71.01253	8.3
72.50910	0.6
72.99178	2.7
73.02809	2.1
75.00755	0.7
78.95766	1.7
83.01279	1.1
83.04886	0.8
85.02807	1.8
87.00748	1.5
89.02312	6.7
95.04932	0.9
97.02840	0.7
97.06457	5.1
99.00729	0.5
101.02321	6.9
113.02316	4.3
119.03394	1.4
121.02930	0.6
121.51207	0.6
125.05980	10.9
143.07037	37.2
144.07353	1.6
151.11188	16.7
152.11490	0.7
161.04433	3.1
169.12251	94.8
170.12611	6.2
171.10150	1.5
179.05452	0.7
185.11743	1.1
191.05595	0.9
195.10146	3.2
213.11259	16.4
214.11604	1.7
241.14174	0.7
253.09241	7.3
291.19730	0.8
297.45679	0.8
311.22275	2.1
336.07172	0.6
389.91901	0.7
449.20258	100.0
450.20587	12.3
575.27094	40.0
576.27472	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	575.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.9
58.00467	4.4
59.01249	85.0
61.98693	2.3
66.23522	0.9
69.03336	1.9
70.81283	2.0
71.01252	39.9
72.99180	6.7
73.02821	31.9
75.00753	1.7
83.01226	1.7
83.72047	1.0
85.02822	14.8
85.99963	1.0
87.00748	10.3
87.04382	3.3
89.01757	1.6
89.02313	30.6
96.95863	3.2
97.02797	1.5
97.03989	0.9
99.04375	2.5
101.02322	63.8
102.02670	1.4
103.03889	25.9
108.68627	0.8
113.02325	2.8
114.50871	0.9
115.03883	5.7
119.03387	15.0
125.02336	2.2
127.03912	1.1
127.51125	0.9
131.03389	11.0
132.10811	0.9
134.17531	0.9
137.09604	2.1
143.03397	10.3
145.04979	8.1
146.66096	0.9
161.04391	2.5
163.06032	100.0
164.06363	2.9
205.07112	22.4
225.00549	1.0
265.09219	6.3
283.02399	4.5
283.06171	2.8
285.03683	1.2
299.01535	1.0
301.03448	2.1
311.05606	9.1
323.05576	1.5
325.11288	1.4
341.06699	2.1
403.06451	1.3
406.53671	1.0
431.09378	1.9
460.02542	1.0
471.15283	1.7
575.14856	3.6
575.30853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.2
59.01252	24.4
61.98705	10.0
65.86266	1.7
67.45723	1.6
71.01259	15.7
72.99161	3.3
73.02807	3.2
75.83582	1.7
83.01259	3.1
84.33978	1.9
85.02807	4.4
87.00754	3.7
89.02316	6.5
93.03352	2.7
95.04865	2.7
97.02800	2.9
99.00749	2.5
99.04402	2.1
101.02316	10.8
109.02841	4.1
113.02318	7.2
117.03335	3.5
121.02864	6.8
123.08086	2.2
125.05922	2.6
132.02068	16.4
133.02806	5.7
134.02666	3.1
134.03638	60.3
135.04469	12.3
137.02321	4.2
137.05978	2.6
139.03918	7.0
147.04396	10.5
148.05191	3.3
149.05994	12.8
149.09618	3.0
157.08630	1.9
158.03638	3.0
159.08076	4.8
160.00227	3.7
160.01567	74.6
161.01936	2.9
163.03859	3.1
163.07558	2.0
171.10086	2.8
173.05956	3.3
174.03139	2.4
175.03923	75.2
175.11205	19.6
176.04695	24.8
177.01776	5.0
177.09114	6.2
177.58820	2.0
178.02617	4.7
179.10735	2.2
181.08609	2.8
185.05937	4.2
186.06685	2.8
191.03375	2.1
191.07062	33.5
192.07439	2.7
193.04984	78.9
194.05370	5.2
201.09146	22.7
202.09505	2.1
203.07066	3.6
204.07825	6.3
207.06544	15.3
207.10188	4.6
208.06944	2.3
209.11761	4.1
217.04938	3.9
219.10229	36.9
220.03702	4.1
225.11487	2.4
235.06091	100.0
236.06378	7.9
237.11209	7.2
259.02545	2.2
262.66113	2.0
265.07175	30.1
283.02383	6.0
284.02890	2.1
295.05051	3.0
295.08212	39.6
296.08575	2.3
298.01367	2.5
301.03159	2.5
303.15891	6.4
321.17075	4.5
337.09354	17.5
355.10281	8.0
381.15833	2.7
399.16400	7.0
403.06680	7.4
423.13031	2.3
458.01547	2.2
575.21356	35.4
575.29901	3.1
576.21576	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	575.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.0
59.01251	7.6
61.98692	1.0
70.28495	2.0
71.01254	2.9
72.99185	1.0
73.02813	2.2
77.03836	1.0
79.01768	0.6
85.02816	1.4
87.00746	0.9
89.02325	1.4
93.03336	1.1
96.95894	2.0
98.20570	0.6
99.04380	3.5
101.02315	5.4
103.03895	1.0
109.02818	1.3
113.02271	0.6
115.07571	0.6
117.03351	4.2
119.03439	0.9
121.02873	1.1
123.00797	0.6
123.04444	0.7
123.85708	0.5
125.02321	1.5
127.07539	11.7
129.95740	0.5
130.76732	0.6
135.04431	1.4
143.03435	0.8
149.02316	1.3
160.97131	0.7
161.02365	2.1
161.04462	6.4
163.00246	1.0
163.03899	2.0
163.06039	4.7
171.06523	6.5
183.04401	2.1
185.02472	0.7
191.03368	1.3
193.01332	0.6
199.03915	0.7
203.03307	0.7
205.07118	0.8
211.03960	2.3
227.03433	4.9
238.02618	0.8
239.03532	0.7
239.07138	0.6
243.02969	0.5
253.01564	1.2
253.04828	0.5
254.02126	0.8
255.02992	6.2
256.03647	0.8
258.01660	0.7
259.02417	0.8
263.07672	1.3
266.02127	1.1
267.03073	0.6
268.03674	1.7
269.04602	2.5
271.02557	2.0
272.03152	2.0
281.04532	2.5
282.01816	1.6
282.05402	1.1
283.02512	100.0
283.06073	17.8
284.02835	8.0
284.06366	2.2
285.03937	1.5
293.04639	1.0
295.06323	1.3
296.03152	0.9
297.04074	1.4
298.01132	0.9
299.02173	0.7
301.03625	2.6
311.05603	41.3
312.05939	3.9
313.03598	1.9
323.05585	2.5
325.03519	3.7
331.04611	1.2
341.06628	11.8
342.06778	1.6
353.06754	0.8
395.07529	0.9
403.06668	27.7
404.07001	3.0
413.08884	4.3
414.09195	0.9
421.07834	0.7
427.10568	1.4
431.09802	9.1
432.10046	1.3
455.09717	5.0
456.10284	0.7
473.10599	4.7
474.11505	0.8
500.32162	0.7
513.14130	1.9
575.13916	14.3
576.14435	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	575.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54292	0.3
57.03332	1.5
59.01259	1.2
60.97854	0.3
61.98721	0.4
71.01276	0.9
71.27882	0.4
71.52379	0.4
72.99169	0.4
74.75523	0.3
89.02314	0.5
96.95880	0.7
99.04427	1.7
101.02343	1.0
107.25989	0.4
109.02874	0.9
109.06533	0.9
113.02371	0.4
117.03374	1.4
119.04928	0.5
121.02811	0.5
125.02338	0.5
127.07539	12.9
137.02332	0.6
149.02428	0.5
161.02396	0.8
161.04440	2.1
163.03951	0.6
163.06015	0.4
171.06549	6.4
173.02376	0.3
175.00230	0.6
183.04439	1.9
187.03995	0.4
197.86819	0.4
199.04008	1.2
211.03944	3.0
215.03479	0.4
217.01381	0.5
227.03471	4.9
228.03909	0.4
237.01929	0.6
238.02693	1.0
239.03464	0.9
241.04984	0.5
243.02960	0.5
253.01462	0.5
254.02228	0.7
255.02986	7.3
256.03448	0.6
258.01776	0.9
259.02441	1.5
266.02219	0.7
267.02866	0.7
268.03769	0.7
269.04541	1.1
270.01715	0.4
271.02448	1.8
271.34100	0.4
272.03198	1.2
281.04507	1.9
282.01761	0.9
282.05063	0.6
283.02484	100.0
283.05978	6.4
284.02850	9.2
284.06128	0.8
285.04037	1.7
293.04495	0.4
295.05951	0.4
296.03201	1.3
297.04086	1.2
298.01233	0.6
299.02136	0.5
301.03656	2.1
302.02954	0.4
311.05612	12.8
312.06049	1.0
313.03558	1.9
315.05020	0.5
323.05560	1.1
325.03503	3.7
326.03973	0.4
331.04422	0.9
341.06644	4.4
342.07172	0.5
343.04724	0.8
355.04398	0.6
386.59570	0.4
403.06683	34.3
404.07022	3.2
413.08673	0.8
421.07617	0.6
427.10193	1.4
431.09839	3.4
442.51691	0.5
455.09824	5.8
456.09839	0.6
473.10852	1.7
485.11496	0.5
513.13953	0.5
538.88580	0.4
575.13989	14.7
576.14301	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	575.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.5
61.98700	5.8
65.00170	2.3
70.85435	3.6
71.01244	5.7
72.99186	1.5
85.02843	1.7
89.02316	1.6
93.03347	3.4
95.01269	2.3
99.00768	1.5
101.02318	4.0
101.12138	1.6
108.02036	2.4
109.02862	6.7
111.00740	1.9
111.65119	1.4
121.02850	7.0
123.00696	1.8
125.02338	1.5
128.03427	2.0
131.01309	1.6
135.04388	10.3
136.04745	2.7
137.02364	2.7
137.09605	2.7
139.00267	1.7
149.02324	4.2
163.00237	3.3
164.11508	1.6
165.01820	1.4
171.04428	2.4
175.00301	8.2
177.01881	2.0
183.04372	1.9
185.02328	1.8
187.04004	1.7
193.01245	1.4
199.03917	5.8
201.01761	2.7
211.03908	2.6
215.03403	9.5
217.01381	1.7
227.03494	14.2
231.02960	1.5
241.01378	3.4
243.02919	6.2
253.01431	3.0
254.02158	3.0
255.02972	25.1
256.03259	1.8
258.01685	1.8
267.16019	1.9
269.00934	3.1
271.02441	14.8
272.03204	5.0
273.03836	2.9
281.00943	1.6
281.12234	1.5
282.01730	5.3
283.02466	100.0
284.02811	10.9
285.04028	2.6
287.01935	2.7
297.04004	2.4
298.01047	2.1
299.01968	20.6
300.02374	1.8
301.03348	3.9
304.67474	1.4
313.03445	3.0
315.01486	2.9
325.03455	3.4
331.04608	3.0
334.03665	1.6
402.06021	1.7
403.06638	23.9
404.06781	2.0
419.06094	4.1
421.07672	3.4
467.09900	1.4
471.21103	1.4
510.51498	1.6
525.10077	3.0
531.27020	1.6
541.09631	4.2
575.10223	1.7
575.19574	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	573.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
57.15428	0.9
59.01229	1.7
62.29120	0.9
65.00201	4.5
67.01765	1.6
68.21927	0.8
69.03322	5.9
71.01280	0.9
79.01766	1.9
81.03348	1.6
83.01279	2.0
89.03823	1.0
91.01773	2.8
92.45071	0.8
93.03335	17.3
95.01273	5.5
97.02834	6.5
107.01254	8.8
109.02844	9.1
111.00759	4.7
117.03319	1.2
119.01289	2.1
121.02835	1.6
123.00784	4.4
124.01549	1.6
125.02340	29.0
126.02656	1.1
131.01291	4.7
131.04947	1.3
133.02805	2.3
135.00806	4.4
137.02348	19.9
138.02751	1.0
139.00266	3.2
143.04930	2.5
145.02876	1.2
147.00746	1.8
147.04379	1.4
148.01648	1.2
149.02361	11.8
150.99136	1.7
151.00284	22.0
153.01840	5.1
157.02888	1.6
159.04445	3.1
161.02333	3.2
163.00276	31.3
164.00838	1.6
164.98271	1.9
165.01865	2.7
167.03424	1.0
169.01355	23.8
169.02759	2.0
171.04517	4.5
173.02373	2.8
175.00273	19.1
175.03964	1.6
176.00861	1.5
177.01913	4.7
179.03358	1.0
181.01337	2.2
183.04431	2.3
185.02379	3.7
187.03917	4.8
189.01921	3.3
189.05403	1.0
190.99797	6.8
191.03407	1.2
193.01347	4.4
195.02977	1.1
198.03156	1.8
199.03943	7.1
200.01021	1.4
201.01866	6.9
202.99796	4.8
203.03412	2.6
204.00389	1.0
205.01402	7.8
211.03931	4.4
213.01886	3.6
214.02591	1.4
215.03459	13.6
216.03830	2.1
217.01321	2.6
217.04918	1.2
219.02931	1.3
225.01866	3.5
227.03442	28.6
228.03836	2.8
229.01353	3.7
229.05064	1.1
231.02972	1.8
233.00900	1.4
238.02620	1.4
239.03479	2.0
241.01448	6.5
242.02164	1.1
243.02966	24.0
244.03383	2.4
245.00877	3.3
245.04405	4.6
247.02403	1.5
253.01430	4.0
254.02090	4.0
255.02972	10.3
255.99989	1.0
256.03265	1.5
257.00992	1.5
257.04593	2.0
258.01660	2.8
259.02451	8.6
260.02838	1.1
261.04099	1.2
266.02380	1.0
267.02533	1.0
269.00919	12.2
269.03763	1.4
270.01291	1.5
271.02463	39.5
272.03052	6.5
273.00473	2.6
273.03976	4.5
274.01193	8.1
275.01913	3.8
282.01718	10.3
283.02386	100.0
284.02789	10.7
284.05231	1.1
285.00537	1.5
285.03842	7.6
286.04416	2.1
287.01941	8.9
288.02536	1.4
289.00131	1.9
289.03458	3.6
290.00693	22.6
291.01215	2.9
295.02441	1.0
297.00461	13.7
297.03650	1.4
298.01105	4.6
299.01981	26.4
299.05368	1.9
300.02396	3.5
301.03506	19.7
302.03882	2.1
304.01889	1.7
311.02075	2.3
313.03476	6.7
315.01477	53.7
316.01840	5.1
317.02847	4.6
325.03568	3.0
329.03003	2.9
331.04587	5.2
333.02490	5.7
343.04630	1.8
345.02435	1.4
347.04037	2.0
357.02478	1.7
363.03513	3.0
363.07504	1.8
373.05359	1.1
389.05536	0.9
391.06805	9.0
392.07465	1.2
401.04987	1.0
402.05823	2.1
403.06711	40.0
404.07104	5.4
407.06268	2.5
409.07355	2.2
417.04605	9.7
418.05280	1.3
419.06113	13.4
420.06876	2.4
421.07785	20.4
422.07837	2.9
435.05643	39.2
436.06158	5.4
437.07236	8.9
438.06961	1.3
453.06702	5.6
529.10394	1.8
540.09277	1.3
555.07739	2.6
573.08813	23.9
574.09393	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.34422	0.4
52.16734	0.5
59.67899	0.5
62.96265	0.6
78.66848	0.6
78.95775	79.1
83.53915	0.5
95.98052	0.5
96.96844	17.2
98.20557	1.6
102.32141	0.5
134.98514	0.7
150.97978	1.2
152.99489	68.1
153.31914	0.5
153.99809	1.3
158.84009	0.7
171.00581	0.8
176.72519	0.5
206.42378	0.5
215.38986	0.5
223.00131	2.8
241.01147	38.5
242.01398	1.1
255.23270	78.1
256.23657	8.4
259.02121	0.6
315.04913	9.7
316.05182	0.6
352.16568	0.6
391.22516	6.4
392.23074	0.8
454.26453	0.5
571.28870	100.0
572.29187	17.7
572.38300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38868	0.3
59.01247	1.6
61.98704	100.0
62.98407	0.3
66.40220	0.3
69.31209	1.5
69.31648	1.1
71.01281	0.8
75.00760	0.5
75.01607	0.3
80.96350	0.3
82.13374	0.3
85.02876	0.3
91.45318	0.3
92.99511	0.2
98.20534	0.4
99.00783	0.3
101.02341	0.5
105.32175	0.3
109.02835	0.7
125.02373	0.3
125.09606	0.5
128.03438	0.3
161.04515	0.3
187.09746	0.5
211.13457	0.3
283.02475	0.6
389.35672	0.3
490.59686	0.3
510.28430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72004	0.2
51.88609	0.2
53.95912	0.3
70.56857	0.8
91.01762	0.6
108.02057	0.4
109.02854	0.5
123.04385	1.5
151.00249	0.4
152.01041	0.3
155.04886	0.6
155.89095	0.2
157.02864	0.2
167.03430	2.4
175.00223	0.6
183.04454	2.4
185.02339	0.5
195.04355	0.3
199.03961	0.8
211.03957	3.5
225.01974	0.4
226.02594	0.4
227.01346	0.5
227.03468	6.4
228.03903	0.5
229.04950	0.4
237.01796	0.4
238.02628	1.6
239.03442	1.5
241.01523	0.3
254.02139	1.2
255.02966	9.2
256.03314	0.8
258.01608	0.4
259.02423	1.4
265.01581	0.4
266.02060	0.9
267.02972	1.0
268.03778	0.3
271.02487	2.1
272.03088	1.3
273.04037	2.6
281.04688	0.4
282.01663	0.9
283.02460	100.0
284.02808	7.6
285.00998	0.3
285.03952	1.7
295.02472	0.4
296.03262	1.0
297.04007	1.2
298.01147	0.4
299.01825	0.6
301.03516	9.1
302.03763	0.8
313.00064	0.4
313.03473	1.5
325.03516	5.2
326.03903	0.5
331.04547	4.4
355.04468	0.4
385.05597	0.4
403.06668	21.9
404.07056	2.3
421.07755	3.8
422.08148	0.4
451.06656	4.9
452.06934	0.7
553.10266	0.3
571.10907	13.4
572.11285	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	569.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24198	0.7
55.60110	0.8
58.00470	2.5
59.01252	57.8
60.01580	0.8
61.96413	0.8
61.98700	5.0
69.03323	0.9
69.61469	2.4
69.61881	2.4
71.01253	27.7
72.00763	1.4
72.28787	0.7
72.99184	5.5
73.02823	26.2
74.02348	7.6
75.00737	2.4
83.01263	2.0
85.02824	9.4
85.99979	1.9
87.00757	7.4
87.04394	2.6
89.02317	22.4
89.21766	0.7
99.00762	1.6
99.92463	6.9
101.02324	54.4
102.01907	1.1
102.02673	1.8
103.03892	18.9
109.02831	2.1
113.02328	2.7
115.03927	4.2
116.03438	7.2
116.92747	100.0
117.01834	7.4
117.02950	3.2
117.03721	1.0
117.92750	5.9
118.01369	0.9
119.03391	13.8
125.02335	1.9
127.03908	1.4
127.04856	0.8
131.03410	8.1
133.02852	2.6
143.03406	7.4
145.05009	5.7
149.02303	2.7
150.03137	3.2
161.02295	1.0
162.03174	1.7
163.06039	92.4
164.06364	3.4
165.05411	2.1
171.10236	1.3
177.05521	1.6
180.03967	0.8
191.03409	1.0
191.26717	0.7
195.06598	1.3
205.07123	15.4
206.07469	1.5
210.08484	0.9
217.01382	1.2
235.08203	1.7
265.09253	6.3
285.03946	2.5
287.05725	1.4
295.10474	0.9
325.11337	1.5
468.78555	0.9
521.20081	1.6
522.20410	1.2
559.19891	1.0
569.29144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02595	0.5
59.01226	0.7
65.00172	0.9
65.03825	0.7
68.99680	1.5
69.03336	1.3
70.42834	1.2
70.43202	1.1
71.01238	1.7
73.02776	0.7
79.01765	0.5
81.03337	3.2
83.01270	6.0
85.02808	1.2
87.93941	0.6
93.03341	22.7
94.40655	0.6
95.01242	2.5
95.04911	1.7
97.02840	6.5
99.00681	0.9
101.02374	0.6
107.01265	2.8
107.04917	1.7
108.02052	1.6
109.02831	4.9
110.00592	0.5
111.00731	1.0
111.04403	3.7
113.02298	2.0
117.02560	1.1
117.03356	15.9
118.03738	0.9
119.04887	2.7
121.02870	4.3
121.06441	0.6
123.00770	2.2
123.04443	4.4
125.02342	12.0
131.04897	1.3
133.02875	0.9
135.00761	0.6
135.04422	7.8
137.02351	8.8
137.05913	1.9
139.03905	9.3
145.02809	1.4
145.06509	0.9
147.04408	2.2
149.02342	4.5
149.05936	0.8
151.00272	2.7
151.03883	3.3
153.05473	1.0
155.03392	1.8
156.05669	0.9
157.02795	0.8
157.06491	2.1
158.03645	0.8
159.04420	2.5
161.02351	16.5
162.02831	1.5
163.00301	2.0
163.03922	3.5
164.01112	0.8
165.01842	4.9
165.05473	2.7
167.03418	20.7
168.03694	1.1
171.04379	1.9
172.05092	0.7
173.06030	3.1
175.03915	1.1
177.01883	3.3
177.05489	1.9
179.03354	4.1
181.01337	0.6
181.04959	1.0
182.71268	0.5
185.05949	1.1
189.05516	0.7
191.03470	2.6
192.00558	0.9
193.01381	5.9
193.04962	0.8
197.04489	7.6
199.03877	1.4
200.04781	1.0
201.05490	7.6
203.03450	1.4
205.01355	2.9
207.02905	1.2
209.04500	13.9
209.06337	1.1
211.30634	0.6
213.05510	2.2
215.07039	2.6
217.04996	2.1
219.02924	1.4
219.06555	2.0
221.04396	1.3
223.02380	1.8
224.04875	0.9
227.05429	0.7
229.08670	0.9
231.06528	0.9
234.86890	0.5
235.02481	6.1
239.05357	6.6
241.05045	2.1
242.05704	1.0
243.06592	1.7
245.04562	6.6
246.04762	0.8
247.02446	1.4
251.05417	0.7
253.04991	0.7
255.06612	1.2
257.04440	3.4
257.08105	2.2
258.05118	0.8
259.06168	1.4
265.03522	4.1
267.06592	2.1
269.06747	2.0
271.05991	3.8
275.05786	0.8
285.07669	2.2
287.05621	16.3
288.06015	1.3
295.04681	1.0
298.04507	0.8
299.05579	5.6
301.07324	0.9
311.05505	0.7
313.07285	1.5
315.08746	0.8
317.06668	6.1
318.07059	0.9
327.04947	1.1
329.06656	100.0
330.07019	9.8
341.06595	3.8
342.06955	0.8
357.06592	0.6
359.07709	68.1
360.08014	7.8
371.07751	2.8
389.08789	20.5
390.09061	2.6
401.08798	2.2
431.09805	8.9
432.10260	1.2
449.10861	13.9
450.11310	1.9
461.10904	4.8
462.11603	0.8
479.11841	2.3
533.13300	0.7
551.14410	1.0
569.15265	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	569.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01241	4.0
61.98704	3.9
65.00206	1.0
69.65928	1.1
69.66339	2.8
71.01255	1.7
74.02340	0.8
81.03304	2.9
83.01270	1.1
85.02824	0.8
87.00733	1.0
93.03339	21.1
94.03643	1.1
95.04885	0.8
97.02829	0.7
98.20519	1.2
101.02360	0.6
103.01782	1.4
103.73400	0.7
105.03350	2.5
107.01283	1.8
108.02058	0.6
109.02857	1.4
111.04405	0.6
113.02303	0.6
117.03352	80.5
118.03690	4.1
119.04932	1.6
121.02853	4.8
123.04401	2.4
125.02335	5.1
129.03378	0.8
131.01282	5.3
132.17146	0.7
135.04443	2.0
137.02341	4.1
141.06593	0.6
145.02846	1.7
147.04419	4.8
148.01549	1.0
149.02348	79.3
150.02670	4.3
151.03915	1.6
151.55569	0.5
152.01108	0.7
159.04489	0.8
161.02354	28.3
162.03096	4.4
163.03864	2.9
165.05501	1.9
167.03421	5.1
171.04297	0.7
171.10263	0.7
172.01602	0.9
173.02359	33.8
174.02725	2.2
175.00279	9.4
177.05490	4.3
179.03403	1.3
182.05730	0.7
183.04433	2.5
183.06725	0.6
185.05858	0.7
187.03914	1.1
191.03429	36.9
192.03764	2.0
193.01357	1.5
195.06630	0.6
197.04497	2.4
199.03981	1.3
211.03909	4.1
211.66235	0.5
215.03423	2.1
217.01375	25.5
218.01694	1.9
221.04515	0.8
227.03435	8.6
228.03856	1.0
233.04584	1.7
238.02670	0.9
239.03496	2.1
247.02559	0.7
249.44296	0.7
251.05647	0.8
254.02182	2.2
255.02968	12.5
256.03348	1.0
258.01776	1.3
259.02435	4.8
266.02118	0.8
267.03000	1.3
269.06790	4.8
271.02319	1.5
272.03259	1.6
275.09119	0.7
281.04504	0.9
282.01733	1.0
283.02472	100.0
284.02771	8.7
285.03815	1.4
287.07947	0.7
296.03183	0.9
297.04031	1.6
301.03519	1.4
311.05597	66.5
312.05911	6.4
313.03564	1.2
315.04932	1.1
325.03525	4.7
329.06549	1.7
337.05597	1.1
353.06683	7.7
359.07736	1.3
359.13483	7.8
403.06680	29.2
404.06863	3.3
431.09836	12.4
449.08765	3.8
450.08841	0.9
569.12897	12.5
569.21405	1.2
570.13367	2.7
570.21436	1.7
579.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
58.00462	2.5
59.01250	47.9
69.49878	2.7
69.50306	3.1
71.01255	32.2
72.99192	4.2
73.02840	1.1
83.01250	1.2
85.02826	5.2
87.00761	1.8
89.02318	40.2
93.03323	0.9
95.01285	2.2
101.02320	18.0
108.02052	2.5
109.02851	5.0
113.02320	12.4
119.03382	17.0
123.04356	1.2
124.01550	2.2
131.03392	1.0
134.03606	0.9
136.01569	3.1
137.02318	3.7
139.03902	2.7
143.03392	3.1
143.04953	1.1
146.03629	1.0
149.02379	1.3
149.04446	1.8
150.03026	0.9
151.00269	2.3
151.03917	4.0
152.01027	3.2
159.04413	1.6
161.04466	3.1
163.03900	1.8
164.04785	1.0
165.05510	1.1
166.02621	5.2
167.03421	1.9
171.04425	1.8
172.05170	1.9
173.05975	1.1
175.03911	1.2
177.01938	1.6
179.05496	4.7
179.06973	1.6
181.04977	7.4
187.03900	5.1
188.04604	2.1
189.05389	1.3
192.04260	1.0
195.06606	1.0
201.05489	0.8
202.02626	1.3
202.06310	1.9
203.03267	1.5
207.06534	1.9
232.07306	1.3
233.08072	2.0
237.05602	0.8
266.05960	1.0
267.06711	1.2
279.06503	2.0
280.07355	0.9
293.08145	2.2
295.06058	2.1
296.06961	1.6
306.05179	0.9
307.06238	1.3
308.06839	1.5
309.07626	3.2
310.08420	1.4
322.08585	1.1
323.05798	1.8
323.09219	4.7
324.06268	0.9
324.09918	1.8
337.10901	1.8
338.11615	2.5
339.08752	10.7
339.12485	1.3
353.10211	4.3
354.11041	11.5
355.11380	1.3
357.13498	4.3
369.13406	100.0
370.13766	12.6
493.55978	0.9
523.27692	2.7
549.19897	1.4
567.13037	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	567.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	3.1
59.01251	49.6
64.78286	1.4
67.31407	1.2
69.47488	7.8
71.01257	37.1
72.20812	1.3
72.99184	4.4
80.17568	1.3
83.01250	1.9
85.02813	6.9
87.00751	4.2
88.96235	1.4
89.02320	38.2
89.22387	1.3
94.88503	1.3
95.01266	2.9
101.02332	19.2
108.02047	2.9
109.02815	5.3
113.02325	11.9
119.03394	19.7
121.02829	1.5
123.00761	2.1
124.01572	2.4
125.02341	1.6
131.03378	2.5
135.04366	1.7
136.01573	2.9
137.02325	4.3
139.03870	1.8
143.03386	2.0
146.03656	2.3
149.02385	1.5
149.04443	1.5
151.00250	3.0
151.03931	3.1
152.00958	4.9
159.04401	3.5
161.04510	1.7
164.04680	2.0
166.02600	6.6
167.03342	1.7
171.04491	1.5
172.05171	2.4
173.05884	1.6
174.33356	1.4
177.01845	4.1
179.05502	4.6
179.07051	3.1
181.04964	6.5
181.94044	1.4
187.03972	6.9
189.05434	2.2
192.04184	3.4
203.03355	2.0
207.06459	5.4
279.06726	1.8
290.05673	1.6
309.07516	2.4
323.09225	4.2
327.12244	2.1
337.10754	1.8
338.11560	2.9
339.08551	8.9
353.10431	2.2
354.11035	10.5
357.13416	4.8
369.13425	100.0
370.13821	10.2
387.14993	1.7
479.40527	1.9
523.27478	3.8
567.13702	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	567.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01256	4.1
60.99708	0.6
61.98704	0.9
63.05163	0.6
67.06119	0.6
69.55189	3.8
70.36530	0.6
71.01255	2.5
73.02812	1.0
78.41360	0.6
89.02316	1.2
99.05431	0.7
101.02332	1.8
103.03939	0.6
108.02062	2.0
113.02310	0.7
125.02332	0.7
128.20879	0.6
163.05939	0.9
188.04657	0.8
227.03476	1.2
243.02902	4.6
244.03758	2.2
255.02905	0.8
258.01642	5.2
259.02420	7.0
260.02652	1.4
270.01807	1.3
271.02490	20.1
271.05484	1.0
272.03253	100.0
273.03687	8.1
283.02414	4.2
284.03131	1.0
285.03949	2.4
287.01938	1.4
288.46838	0.7
299.01898	3.3
300.02710	5.9
301.03564	4.3
302.03909	3.9
303.04086	3.6
304.02194	7.9
305.02554	1.4
313.03693	1.2
315.05099	87.9
316.05408	9.2
325.03760	1.0
327.05145	1.0
330.03677	3.2
331.04419	1.7
332.04950	1.6
332.98874	0.7
333.05219	1.5
343.04575	0.8
345.06113	25.7
346.06528	2.6
357.06119	1.9
375.07068	1.5
399.07288	4.0
405.11734	1.1
461.62357	0.7
507.24460	1.7
523.27423	2.1
543.28821	0.7
549.12207	1.8
567.13525	58.9
568.13971	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03323	0.9
58.00462	3.0
59.01249	61.9
60.01605	1.0
61.34903	0.8
61.98705	1.6
70.53966	2.1
70.54301	0.9
71.01253	50.4
72.01597	0.9
72.99180	4.5
73.02858	1.3
74.02361	1.9
75.00763	1.7
83.01270	2.0
83.02397	2.1
85.02821	10.0
87.00742	5.0
89.02317	64.0
95.01262	3.6
95.04929	0.9
96.76302	1.0
99.00769	1.4
101.02322	23.9
105.03355	1.5
109.02862	1.4
112.86112	0.9
113.02327	17.6
114.93318	5.2
115.03864	1.5
116.03443	2.5
117.03294	1.7
119.03391	28.6
121.02834	2.0
121.93998	0.9
125.02350	2.0
130.97165	0.9
131.03375	2.6
133.02863	2.9
134.03555	1.6
143.03436	4.9
145.02866	5.0
147.04391	1.9
149.04471	2.0
151.03931	5.1
152.01010	1.3
161.02354	27.0
161.04472	3.0
162.03134	100.0
163.03473	4.7
165.05525	1.1
168.00549	1.2
176.04710	10.3
177.05486	84.6
178.05865	4.1
179.03423	33.9
179.05527	8.0
180.04102	3.2
191.07068	4.5
194.05777	30.0
195.06490	6.6
202.12340	1.0
209.08131	47.8
210.08490	3.6
259.02524	1.1
271.02362	1.2
272.03323	4.1
283.02435	4.8
287.02023	9.2
305.83719	1.2
357.12329	1.4
403.06747	1.2
535.14337	1.8
567.17487	8.2
568.18164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89818	0.4
55.01767	0.5
59.01248	0.8
59.17493	0.3
68.42439	0.3
69.03314	0.6
69.39030	2.0
69.39461	1.0
71.01251	3.0
72.99187	1.2
73.02806	1.0
83.01280	0.6
85.02815	2.7
89.02303	0.6
92.87540	0.4
93.03332	15.2
94.03667	0.5
95.01254	0.6
99.00745	1.1
101.02325	1.6
108.02052	47.3
109.02875	9.2
113.02347	2.2
118.04413	0.3
121.02847	0.6
123.00765	0.7
123.04398	0.6
133.02863	0.4
135.04411	1.0
137.02344	25.4
138.02687	0.9
151.03885	0.7
152.01059	100.0
153.01596	5.3
161.04546	0.6
163.03929	4.4
177.01874	0.8
179.03369	0.8
191.03497	0.4
193.05070	0.4
207.02957	1.3
271.08328	0.5
297.06143	0.8
315.07245	1.2
357.13513	1.0
429.10358	17.2
430.10751	1.9
447.11429	17.7
448.05878	0.6
448.11719	1.8
567.13519	75.9
568.05121	0.8
568.13892	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	567.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08224	0.8
55.01740	1.1
59.01249	1.3
60.38134	1.0
63.28509	1.0
69.38879	2.6
69.39288	6.0
71.01250	2.8
72.99168	1.7
73.02828	1.4
85.02809	3.4
89.02320	1.0
93.03337	18.8
95.01270	1.7
98.89220	0.9
99.00745	1.0
101.02303	2.0
101.17227	0.8
108.02048	54.9
109.02860	13.2
113.02313	1.9
113.60752	0.9
115.14339	0.9
116.92700	1.1
120.36037	1.0
121.02843	1.7
123.00775	1.6
125.02260	1.3
136.01578	1.5
137.02342	27.3
139.03951	1.4
151.00153	1.0
151.03900	2.5
152.01054	100.0
153.01816	7.4
163.03880	3.8
166.02625	2.9
166.32503	0.9
167.03436	1.7
179.03395	1.1
181.04993	2.8
189.05452	1.4
190.06268	1.6
190.19841	1.0
225.91072	0.9
243.06647	11.6
244.06921	1.1
259.02383	1.3
259.82193	0.9
272.03107	1.3
282.05185	1.0
297.07269	1.4
301.03683	1.7
309.07553	1.1
312.09967	1.7
324.09998	1.1
327.12238	2.8
331.04462	1.5
342.11072	6.3
357.13440	23.9
358.13675	1.8
375.14444	2.1
387.14517	7.1
391.19080	1.0
405.11685	2.7
421.07709	2.4
429.10355	21.6
430.11017	2.0
447.11340	17.8
448.11682	2.2
470.81021	1.2
546.39258	1.2
567.13483	84.7
568.13861	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	567.1144
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
59.01238	1.2
61.98697	2.4
70.87502	0.7
71.07662	0.8
71.08006	1.6
71.81926	0.7
93.03326	0.9
98.23906	0.7
106.13517	0.8
109.21767	0.7
110.13280	0.8
111.64643	0.7
119.04930	8.4
151.00185	0.8
163.03920	1.8
183.04453	1.5
185.02274	0.9
195.06584	0.8
202.67741	0.8
211.03931	3.0
227.03444	6.0
239.03413	2.3
254.02168	1.2
255.02966	9.0
258.01849	0.9
259.02307	2.8
267.02942	1.9
271.02563	3.8
272.03275	2.3
273.04001	7.2
282.01599	1.3
283.02460	100.0
284.02805	8.3
285.04013	2.5
296.03207	1.6
297.03857	2.1
298.01193	0.9
301.03522	25.1
301.06952	1.3
302.03772	2.0
304.02206	1.0
309.04013	3.0
313.03558	3.2
315.04871	0.8
325.03479	5.2
331.04568	11.5
332.04709	0.9
387.14984	0.8
403.06815	25.0
404.07166	2.8
405.72958	0.8
421.07742	29.2
422.08118	2.6
429.08167	1.5
447.07159	6.9
448.07928	0.9
505.11725	1.0
523.12482	9.9
524.13013	1.4
549.10419	1.6
567.11346	41.0
568.11829	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	567.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.0
61.98687	1.5
65.00188	0.5
70.69265	0.5
70.69611	1.1
70.98566	0.5
71.01244	1.1
72.99190	0.4
85.02766	0.6
89.02310	1.0
93.03339	0.8
101.02309	1.0
109.02852	1.4
119.04881	0.7
121.02840	0.7
123.00735	0.5
125.02287	0.9
131.01276	1.9
133.01839	1.1
133.02841	17.6
133.03830	1.0
134.03273	0.5
135.04402	0.9
137.02368	1.5
149.02370	1.1
150.03114	0.5
161.02325	1.3
163.00273	0.8
163.03914	1.5
164.00952	0.6
165.01866	1.1
165.05531	0.7
173.02335	3.1
175.00264	7.3
175.03894	1.6
177.01855	0.5
191.03461	0.9
193.01408	0.7
197.05989	0.5
199.03888	0.9
201.01884	1.2
211.04015	0.6
215.03503	0.9
227.07092	0.5
237.05518	1.1
239.03494	1.0
251.03584	0.5
253.04985	1.0
255.02951	0.9
259.02493	0.9
263.03748	0.5
265.05005	2.1
267.02994	2.7
268.03348	0.7
278.28711	0.5
281.04556	1.3
283.02451	4.5
284.03262	3.5
285.00873	0.5
285.03989	2.6
287.01733	0.7
291.03159	0.7
297.04071	7.0
298.04669	4.0
299.05585	5.4
300.05707	0.8
301.03522	0.8
309.04047	100.0
310.04425	10.2
311.05618	1.8
325.03604	1.0
327.05103	24.9
328.05447	2.1
339.05273	2.4
357.06128	5.4
358.06387	0.7
369.05942	0.6
371.79736	0.5
395.51178	0.5
403.07068	0.7
415.10532	0.5
421.07596	0.9
429.08252	79.4
430.08530	10.0
447.09332	6.7
448.09442	0.6
567.10480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03321	1.7
58.00466	1.5
59.01250	100.0
60.01585	1.2
61.98695	1.1
64.21770	0.5
69.03333	2.3
69.17297	5.4
71.01253	17.9
72.01602	0.6
72.99189	1.4
73.02818	4.2
81.03340	0.8
83.01286	2.5
83.04883	0.6
85.02828	7.3
85.99983	0.6
87.00749	6.2
89.02307	5.9
91.03880	5.2
95.01276	2.2
97.02848	1.7
97.06483	0.5
99.00764	1.6
99.08035	2.7
101.02323	10.4
101.98847	0.5
108.02040	3.1
109.02841	1.2
111.00739	0.5
112.01597	1.4
113.02325	5.6
113.09621	0.9
119.03436	1.3
124.01565	3.6
125.02331	5.8
127.11186	3.6
139.11188	6.5
140.93437	0.5
142.02591	0.5
143.03419	1.6
143.10704	0.7
152.01082	3.0
153.01833	1.1
157.12277	0.9
161.04526	1.4
171.10185	18.6
172.10564	0.9
179.05597	0.7
183.13869	1.0
193.12392	1.0
211.13309	6.4
229.14418	4.6
241.21704	0.8
253.09238	14.8
254.09598	0.7
269.21243	6.9
283.02606	1.1
287.22281	37.4
288.22559	3.2
293.21243	0.6
299.22192	1.4
301.23831	1.1
311.22183	0.9
327.21860	0.8
328.22308	0.8
329.23315	54.4
330.23642	6.5
330.26578	0.6
342.43228	0.5
395.24646	1.0
413.25391	7.9
414.25870	1.1
431.26465	62.4
432.26788	9.4
449.27524	27.6
450.28033	4.8
473.27515	12.0
474.27966	1.6
491.28595	30.9
492.28824	4.2
505.30301	1.7
523.30811	0.6
565.22729	2.6
565.32220	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	565.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01250	4.9
61.98706	13.4
63.52358	0.7
65.00175	0.6
68.96395	0.7
70.89899	1.4
71.01263	3.6
71.04855	0.6
72.99143	0.8
73.02803	2.0
74.02367	0.8
75.00739	0.9
81.03321	1.7
83.01270	0.9
89.02296	2.6
93.03314	1.0
93.80176	0.6
97.02837	1.3
99.00692	0.8
99.04444	0.6
101.02294	1.8
104.06628	0.6
109.02847	0.9
111.00775	0.8
113.02297	1.0
116.72480	0.6
119.03353	0.7
123.04386	0.8
125.02330	5.7
135.04356	0.9
136.01530	2.2
137.02353	4.0
139.00296	0.9
139.03853	0.8
149.02327	0.7
149.04355	0.8
151.00252	1.2
151.03929	4.3
153.01840	1.0
163.00255	1.7
163.03819	1.1
165.01790	1.3
166.02530	0.7
167.03403	6.1
174.03012	0.5
178.05853	0.6
179.03415	1.4
193.01329	2.6
193.04947	0.8
197.04497	1.6
201.05455	0.6
203.03383	1.5
206.45349	0.7
207.06520	2.1
217.04848	0.7
218.05745	0.9
229.01193	0.8
233.08118	2.7
239.07123	0.6
243.02815	0.8
256.03665	1.1
257.04446	1.8
259.02386	1.0
269.04532	1.4
270.05157	0.7
271.06104	1.1
283.02603	0.7
283.06091	1.7
284.06860	1.4
285.03931	3.1
285.07651	3.4
286.08426	0.6
287.01907	1.3
287.05261	1.0
288.02530	1.6
289.03296	1.2
295.05991	1.2
297.04105	1.4
297.07578	1.5
298.08002	1.0
299.05505	1.8
299.08875	0.7
300.06183	0.8
301.03470	2.2
301.06583	0.7
311.05542	1.1
311.08981	1.0
313.03815	1.0
313.07141	9.2
314.04233	0.8
314.07703	1.5
315.05206	5.6
315.08533	1.1
325.07285	3.6
327.04971	1.5
327.08682	2.0
328.05667	0.9
329.06494	2.1
331.04590	4.6
337.07166	0.7
339.08646	1.9
340.09222	1.1
341.06738	4.6
341.10339	1.0
342.07385	2.2
343.04437	4.6
343.08151	11.0
344.08316	0.8
355.04376	1.8
355.08109	4.5
355.11905	2.2
357.05823	1.0
357.09784	2.7
361.05621	0.9
369.09940	1.5
371.07715	15.7
372.08066	1.5
373.05331	1.7
374.06461	2.9
383.07593	3.9
385.09058	2.6
385.13293	1.2
399.10822	1.7
401.08725	8.6
403.10080	2.2
413.08691	2.5
415.10306	2.2
417.11951	1.3
427.10529	1.4
443.09912	1.2
445.11392	80.4
446.11771	9.1
457.11365	4.5
475.12445	33.5
476.12878	4.3
487.12305	2.0
505.13135	1.2
528.45648	0.7
547.14630	6.3
561.83124	0.8
565.15509	100.0
566.15759	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	565.1563
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
59.01244	2.4
61.98706	2.8
69.03352	0.3
70.77125	0.3
71.01247	1.9
71.05627	0.5
71.05965	0.6
73.02849	0.7
75.00771	0.9
77.96830	0.3
81.03358	1.2
83.01295	0.5
87.28693	0.3
89.02357	0.7
92.32867	0.3
93.03402	0.5
95.04914	0.7
97.02799	0.4
99.04420	0.8
101.02406	0.6
103.08946	0.3
107.01280	0.5
109.02897	1.2
113.02291	0.4
121.02886	0.8
123.00791	0.4
123.04446	0.7
125.02367	3.8
126.91933	0.3
133.02951	0.3
135.00778	0.4
135.04419	0.7
137.02382	2.2
139.03975	0.7
145.02846	0.4
147.04402	0.4
149.02399	0.7
151.00304	0.9
151.03987	0.7
155.03476	0.4
161.02444	0.9
163.00322	1.1
165.01895	1.3
167.03403	4.2
175.03941	0.5
176.01231	0.4
177.01918	0.6
179.03500	1.3
179.07089	0.4
185.83942	0.3
189.01862	0.4
191.03374	0.4
193.01315	2.4
197.04558	1.2
202.63197	0.3
202.65070	0.3
205.01462	0.7
207.06645	1.1
209.04517	0.4
215.03456	0.8
223.02429	0.6
229.05104	0.4
231.02954	0.5
235.02434	0.6
241.04994	0.4
243.02960	1.9
243.06599	0.4
244.03723	0.4
255.02979	1.0
255.06383	0.4
256.03708	1.7
257.04474	1.4
258.01813	0.7
259.02457	5.1
269.04541	0.8
271.02496	1.0
271.06070	0.8
274.01199	1.7
283.02542	5.0
283.06207	1.3
284.03180	0.6
284.06836	1.2
285.04291	2.9
285.07703	2.7
286.04846	0.4
287.01984	8.1
287.05289	0.6
287.09131	0.5
288.02655	3.0
289.03558	0.7
291.05042	0.4
295.06161	0.7
297.04327	0.7
297.07709	1.3
298.04745	0.5
298.08051	0.4
299.02185	0.4
299.05606	1.6
299.08975	0.5
300.02887	0.5
301.03497	1.6
302.04276	0.7
303.01498	0.5
311.05740	0.8
311.09320	1.0
312.06360	0.5
313.03561	0.9
313.07150	6.4
313.10843	0.3
314.00659	0.6
314.07794	0.8
315.01514	7.3
315.05121	2.3
316.02023	0.9
316.05841	0.9
317.03125	0.8
325.03769	0.6
325.07153	2.4
327.01547	0.6
327.05090	1.4
327.08789	1.8
329.06665	1.0
330.04062	0.6
331.04523	2.5
339.05060	0.5
339.08728	0.9
341.06662	2.0
342.07452	1.4
343.04510	2.6
343.08310	5.0
345.02203	0.5
345.06308	0.4
347.04150	0.6
355.04504	0.5
355.08267	3.0
357.06061	0.9
357.09869	1.2
361.05786	1.1
369.05939	0.7
369.09961	0.7
370.10535	0.5
371.07727	5.8
372.07861	0.5
373.05588	1.0
374.06381	1.0
383.07770	2.7
384.08206	0.7
385.09177	2.2
397.09335	0.7
399.10675	1.0
401.08701	4.6
402.09195	0.7
403.05963	2.2
403.10577	1.1
404.06796	0.5
413.08636	3.2
415.10382	1.1
417.11685	1.2
427.10220	1.3
431.09766	1.2
435.05670	9.1
436.06015	1.1
439.10544	0.4
443.09601	0.6
445.11395	55.1
446.11713	6.5
457.11282	2.6
458.11957	0.5
475.12415	24.0
476.12848	3.1
487.12180	1.0
505.13333	0.8
529.13855	0.5
533.13116	2.8
547.14447	3.0
548.15314	0.6
565.15588	100.0
566.15973	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	565.1557
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
52.40910	0.7
55.83736	0.6
57.03318	1.4
59.01246	2.3
61.65511	0.6
61.98711	3.2
65.00194	0.7
71.01254	2.6
71.52027	0.8
73.02822	1.5
75.00742	1.0
81.03328	1.5
83.01270	0.9
89.02334	0.8
96.95888	0.8
97.02810	0.7
99.04399	2.2
101.02339	1.3
107.01246	1.7
109.02834	1.5
119.04964	0.8
121.02798	1.6
123.04388	1.1
124.67257	0.6
125.02351	8.2
137.02345	3.5
139.03911	1.8
143.04575	0.7
149.02351	1.7
151.00296	2.9
151.03891	1.0
161.04459	1.1
163.00308	1.8
164.04832	0.8
164.49704	0.6
165.01895	2.2
167.03394	7.5
177.01932	1.5
177.03371	1.8
179.03426	1.0
190.99774	1.1
191.03391	0.7
193.01363	3.2
197.04550	1.8
199.03940	0.7
204.04387	0.7
207.06572	1.3
217.05045	0.8
219.06664	0.7
227.03517	0.9
228.04126	0.6
241.08728	0.8
243.02986	2.0
245.04588	1.2
255.03142	1.4
256.03745	2.6
257.04568	1.4
258.01636	5.9
259.02438	4.9
269.04605	1.7
269.08087	0.7
270.05170	1.3
271.02533	5.9
271.06104	4.1
272.03253	4.5
273.04016	5.5
283.02545	2.3
283.06198	2.0
284.03677	0.7
284.06873	1.7
285.04059	5.7
285.07654	3.4
286.04739	0.9
287.02020	1.3
287.05408	1.0
288.02753	2.0
289.03696	1.1
291.05072	1.0
297.04233	1.2
297.07748	2.3
299.01831	1.8
299.05627	2.0
301.03525	32.4
302.04068	3.5
311.05820	1.0
311.09543	0.7
312.06216	1.1
313.03534	2.6
313.07242	8.3
314.07733	1.0
315.05096	4.1
316.05344	0.9
325.06961	3.6
327.05127	1.2
327.08878	2.3
328.05890	0.8
329.03009	0.7
329.06711	1.4
330.03769	0.8
331.04587	20.8
332.04898	1.7
339.08725	0.9
341.06625	2.0
341.10229	0.7
342.07318	1.3
343.04504	3.9
343.08295	5.4
345.06131	0.9
355.04437	1.1
355.08273	3.7
357.06030	1.3
357.09857	2.0
361.05588	2.6
367.08340	1.7
369.05927	1.5
369.09998	1.5
371.07721	9.0
371.12057	1.1
373.05432	1.5
374.06100	1.2
383.07858	2.4
385.05231	1.3
385.09372	2.4
399.11029	1.2
401.08636	5.9
403.06595	1.8
403.10852	1.2
413.08737	3.2
415.10382	2.0
417.12067	1.7
421.07800	1.7
427.10217	1.1
431.10083	1.2
443.09769	1.3
445.11389	73.1
446.11679	10.0
457.11469	3.9
475.12466	35.3
476.12894	4.2
487.12531	2.0
505.13834	1.0
517.13385	0.8
547.14868	4.4
548.14569	0.8
565.15692	100.0
566.16162	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	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92332	0.6
57.03320	0.6
59.01252	3.6
61.36459	0.5
61.59185	0.6
61.98692	3.9
71.01266	3.1
72.99167	0.8
73.02821	1.5
81.03333	0.7
83.01250	1.2
89.02325	1.6
93.03323	0.8
95.01253	0.6
97.02829	1.2
99.00719	0.9
99.19141	0.6
107.01254	0.6
109.02845	1.4
123.04436	0.9
125.02356	4.7
135.04424	2.4
137.02347	2.3
139.03868	0.7
149.02414	1.1
151.00258	1.5
159.04388	0.8
161.02341	1.2
163.00339	0.8
165.01830	2.0
167.03371	4.2
176.01129	0.8
179.03441	3.2
187.03935	0.6
191.03606	0.7
193.01341	1.9
197.04564	1.3
202.99782	1.1
203.03391	1.0
215.03467	2.4
218.01945	0.7
219.06544	1.0
223.02397	1.1
227.03500	0.8
230.02138	1.1
235.02650	0.6
243.02953	2.0
256.03708	1.7
257.04517	1.0
258.01682	1.5
259.02478	9.0
259.06198	1.2
269.04376	0.8
271.02533	1.5
271.05869	1.0
273.00412	0.9
274.01160	2.4
275.02005	1.7
283.02499	14.2
283.05685	1.5
284.03012	1.2
284.06760	1.1
285.03992	2.4
285.07584	2.9
287.01971	14.3
287.04971	0.5
288.02658	4.7
289.03531	1.6
297.04092	1.4
297.07565	1.6
299.02084	1.1
299.05530	1.5
300.05811	0.7
301.03458	1.6
302.04034	0.9
303.01324	1.4
311.08994	0.9
313.03616	0.9
313.07031	6.4
314.00668	0.9
314.04242	1.3
314.07605	1.4
315.01453	14.0
315.05148	3.3
316.01968	2.3
317.02875	1.5
325.07095	3.3
327.05014	2.2
327.08768	2.4
329.06403	1.0
331.04602	2.6
339.08673	0.8
341.06659	2.0
343.04514	2.3
343.08197	4.3
345.06055	0.9
346.02689	0.9
347.03738	1.0
355.08136	2.5
357.09821	1.6
361.05688	1.9
367.08176	1.0
369.09692	1.2
370.10754	0.9
371.07742	5.7
372.08035	0.8
373.05374	1.5
374.06113	0.9
383.07666	2.5
385.09064	1.6
385.13391	0.9
401.08786	4.5
403.06409	8.0
413.08749	3.7
415.10651	1.5
417.11990	0.8
427.10275	1.9
435.05695	15.2
436.05975	1.9
443.09723	0.8
445.11401	48.9
446.11609	6.6
457.11508	2.6
475.12485	20.7
475.19012	0.6
475.45773	0.7
476.12918	3.1
487.12442	1.6
503.12283	0.9
533.13043	3.7
534.13367	0.8
547.14752	3.0
565.15601	100.0
566.16010	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	563.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38366	0.3
55.01756	0.8
55.88645	0.4
57.03322	3.0
58.00479	0.5
59.01249	9.4
61.98682	0.3
64.05273	0.3
69.03327	2.8
70.49177	1.0
71.01252	6.8
72.99171	0.4
73.02818	1.1
78.11013	0.3
81.03333	0.9
83.01258	0.9
83.04900	0.7
84.02035	0.7
85.02821	13.7
87.00745	1.0
89.02320	6.6
91.03848	0.5
95.01260	0.5
95.04901	1.4
97.02829	2.0
97.06488	2.2
99.00783	0.3
99.04389	0.5
100.53625	0.3
101.02320	6.9
109.02829	0.5
111.08052	0.5
113.02336	3.5
119.03394	2.1
119.08549	0.9
120.69424	0.3
123.04398	0.5
125.02341	2.6
125.09611	1.3
126.79445	0.3
127.11182	1.4
133.02863	1.7
135.08037	0.5
137.02374	0.5
137.09607	3.9
143.02307	0.3
143.03372	0.6
149.04373	0.4
153.09079	0.5
155.10751	0.7
161.04456	3.2
163.03912	0.4
163.11205	0.3
165.12752	0.3
167.03424	4.9
171.10184	35.6
172.10538	1.8
177.01871	0.9
177.12813	0.5
179.05524	1.4
179.06924	0.4
183.13840	2.8
185.11792	0.9
193.12273	0.9
195.13783	0.4
197.04489	1.2
197.11728	0.4
201.11214	2.0
209.11810	1.0
211.13339	10.8
212.13690	0.8
221.08180	1.0
221.11656	1.5
229.14420	7.3
235.02444	0.7
239.12872	1.3
247.20648	0.4
251.09264	0.3
253.09271	31.0
254.09561	2.0
265.10745	2.1
289.07004	0.4
291.08755	0.4
291.19711	2.9
295.11829	0.9
309.20691	1.1
327.21759	100.0
328.22089	11.0
333.09778	0.9
385.15192	0.6
443.13406	1.4
503.31927	0.3
563.30914	3.2
579.02795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
59.01241	1.7
60.78083	0.6
61.98686	1.4
65.00195	0.5
68.10184	0.4
69.28415	3.4
69.28835	1.3
71.01251	1.3
73.02811	0.7
74.02332	0.8
75.58913	0.5
83.01270	0.8
95.01218	0.7
99.04394	3.3
101.02312	1.4
107.01284	0.7
108.02045	0.8
109.02836	2.5
119.04920	0.7
121.02799	0.5
123.04403	0.8
125.02335	2.7
135.04369	0.5
137.02339	1.6
143.04459	0.6
149.02400	0.8
151.00262	3.9
161.02284	0.6
161.04480	3.1
163.00273	1.4
165.01828	0.8
167.03409	1.7
171.04311	0.6
177.03308	1.6
190.04970	0.6
193.01305	0.8
201.05490	1.0
207.06398	0.6
208.90918	0.5
215.03432	2.0
217.05035	0.6
227.03432	1.9
229.05031	2.6
230.05557	0.6
243.03003	2.4
244.03726	0.8
245.04472	0.7
245.61821	0.5
253.06215	0.6
255.03033	1.2
257.04559	1.1
258.01685	13.8
259.02438	12.1
260.02853	1.2
266.98553	0.5
271.02490	18.1
271.06079	2.6
272.03214	12.6
273.04037	13.8
274.04422	0.9
283.02438	1.9
283.10706	0.9
285.03998	6.9
286.04327	1.1
287.01886	0.7
288.02631	0.9
298.01184	1.7
299.02042	2.5
301.03525	100.0
302.03885	8.5
304.02185	1.9
311.01950	1.4
311.05542	0.5
313.03580	7.5
313.06927	1.1
314.04114	0.8
315.05099	2.2
325.03485	0.7
327.09360	0.7
329.03043	0.9
331.04587	51.2
332.04855	4.6
343.04544	2.3
343.08319	1.3
355.08377	1.2
361.05627	1.8
367.04349	1.1
371.07889	1.9
374.06348	0.6
385.05618	4.5
401.08527	0.9
403.06519	4.3
403.11508	5.4
413.08710	1.5
415.10239	0.8
421.07834	2.0
443.09875	1.1
445.11429	14.0
445.17340	0.5
446.11343	2.2
463.08957	1.1
475.12305	5.8
476.12726	0.8
547.10999	1.0
565.14917	20.3
565.28583	0.8
566.15088	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	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98901	0.4
54.30190	0.4
55.01751	1.1
55.11118	0.4
57.03317	3.9
59.01245	8.6
69.03329	3.3
70.38892	1.4
71.01250	6.5
72.99174	1.8
73.02805	1.4
82.52666	0.4
83.01255	1.3
83.04901	0.6
84.02050	0.7
85.02821	17.4
86.03139	0.5
87.00749	1.1
89.02325	6.2
91.05399	0.4
95.01291	0.4
95.04936	0.4
97.02828	2.6
97.06477	2.1
99.00753	0.6
101.02328	6.2
113.02330	3.7
119.03399	1.3
119.08546	1.1
125.02348	0.5
125.09597	1.5
127.11202	2.2
135.04425	3.4
137.09613	4.9
141.99431	0.4
143.03381	0.7
155.10722	1.1
155.14308	0.4
161.04485	3.7
165.12683	0.6
167.03290	0.4
171.10175	47.4
172.10518	2.9
177.12776	0.8
179.05547	0.7
183.13876	2.1
185.11795	1.0
197.11737	0.4
201.11263	2.5
203.22108	0.4
209.11789	0.9
211.13329	9.8
212.13522	0.6
218.84303	0.4
221.11798	2.7
229.14401	7.9
230.87166	0.5
239.12837	1.0
253.09262	31.6
254.09563	1.5
279.80222	0.4
287.22302	1.4
291.19608	2.7
292.19815	0.5
309.20694	1.0
327.21747	100.0
328.22064	11.0
449.27704	0.9
563.30682	5.3
564.31152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03316	0.3
59.01252	3.2
61.98714	1.8
69.03315	0.5
69.32443	1.4
71.01255	3.0
72.99181	4.1
73.02812	1.2
81.03333	0.3
83.01267	0.8
84.97559	0.2
85.02831	1.5
85.57077	0.2
87.00742	0.8
89.02311	0.7
93.03338	31.1
94.03674	1.0
95.01263	0.6
95.04917	0.2
97.02842	0.5
99.00761	0.6
101.02332	2.3
108.02042	0.3
109.02859	0.3
111.00751	0.4
112.01543	0.4
113.02328	2.0
115.03936	0.2
117.03376	0.2
119.03369	0.3
121.02856	0.2
124.01538	0.2
125.02319	0.7
128.03423	0.4
131.03377	0.2
134.03662	0.2
135.04408	0.2
137.02348	100.0
138.02670	3.8
143.03410	0.2
151.03868	0.2
152.01053	0.3
161.02394	0.2
161.04517	0.8
167.03387	0.7
171.10175	0.3
194.98215	0.2
197.04538	0.2
203.07039	0.3
253.09258	0.5
269.10391	0.7
269.21277	0.3
271.14188	0.2
272.03284	0.2
283.02423	0.2
287.22296	2.6
288.22498	0.2
301.03610	0.2
309.20334	0.2
314.40775	0.2
327.21832	1.3
401.14365	0.3
411.07333	0.3
431.26495	1.3
441.08014	0.3
443.09897	1.1
449.27399	2.1
473.10510	0.4
491.28693	0.2
503.15707	0.6
521.16681	4.3
522.16742	0.5
531.11230	0.3
542.40985	0.2
563.17957	1.2
563.30682	6.7
564.18518	0.3
564.31409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09725	2.5
57.03319	3.7
59.01253	29.8
61.98711	15.3
69.03313	2.9
71.01251	46.1
71.51632	4.3
73.02819	14.4
83.01284	7.2
85.02832	17.4
87.00742	6.1
89.02309	18.6
96.95889	6.8
99.00755	6.9
101.02334	27.8
107.01254	2.4
109.02870	2.7
113.02300	20.2
115.00293	4.2
119.59402	2.4
121.59600	2.2
125.02315	4.4
149.04436	3.7
153.01862	2.3
161.04500	8.1
167.03409	6.9
197.04422	2.5
209.15376	3.0
243.02916	3.0
255.16112	3.1
266.89075	2.4
271.02399	4.1
281.10342	3.6
283.02463	9.9
301.03503	9.2
307.11996	2.8
313.03601	5.4
327.21863	7.0
341.13956	6.6
350.84256	3.0
371.20728	16.9
403.06848	4.1
443.13943	3.3
503.19595	4.0
503.25021	100.0
504.25275	15.0
563.14374	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	563.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69887	0.9
57.16288	0.9
58.12561	1.4
59.01250	32.2
60.03364	0.8
60.99177	14.3
69.91962	4.1
71.01263	7.6
72.99182	88.1
75.00748	10.5
76.98679	2.3
83.01247	1.1
87.00750	1.8
89.02316	43.5
98.19720	1.0
99.00744	3.0
105.01830	6.8
115.00261	23.3
117.01833	24.1
121.07699	1.0
127.00306	1.2
133.01323	100.0
134.01646	2.1
135.02850	2.1
145.01329	39.0
152.14845	1.0
161.00829	4.1
202.48990	1.0
221.02971	24.8
276.25739	1.1
321.82138	1.2
341.10809	2.0
372.52530	1.2
502.19070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24762	0.2
54.87264	0.2
55.38427	0.2
58.45501	0.2
59.01232	0.4
59.52738	0.2
60.26678	0.2
61.98707	0.3
67.42899	0.2
68.30206	0.2
69.03327	0.3
69.79212	0.8
69.79626	0.4
70.97602	0.2
74.15887	0.2
78.98616	0.2
89.02290	0.3
95.04900	1.7
96.95899	0.5
97.06465	8.3
98.06793	0.3
98.20536	0.3
107.84138	0.2
109.02801	0.4
115.07553	2.3
137.02368	0.3
141.05450	0.4
143.04774	0.2
151.03851	0.2
155.04816	0.4
159.06535	11.3
160.06879	0.6
167.04932	0.3
171.04459	0.5
175.00232	0.6
183.04468	2.0
185.02383	0.5
187.03856	0.3
199.03941	0.7
211.03932	2.8
213.01807	0.3
215.03458	0.4
226.02788	0.3
227.03450	5.6
228.03725	0.6
229.05136	0.3
237.01901	0.4
238.02565	1.4
239.03430	1.1
241.05057	0.3
243.03134	0.3
254.02119	1.3
255.02972	6.9
256.03357	0.4
258.01636	0.8
259.02499	1.0
266.02200	0.6
267.02997	0.9
268.03726	0.6
269.04480	0.7
271.02460	1.8
272.03210	1.4
273.03964	0.8
281.04587	0.6
282.01566	0.9
283.02469	100.0
284.02817	9.6
285.04034	1.7
296.03220	0.8
297.03992	1.3
298.01163	0.6
298.04449	0.3
301.03528	2.2
302.03824	0.3
311.01999	0.4
313.03543	1.3
323.05743	0.3
324.02411	0.3
325.03513	4.1
326.03986	0.3
331.04565	1.4
343.04651	0.3
355.04785	0.4
385.05606	0.3
403.06702	28.6
404.07089	4.2
405.07562	0.3
415.10275	2.6
416.10635	0.4
421.07645	0.3
443.03638	0.4
443.09821	7.8
444.10159	1.2
455.09720	0.3
473.10818	0.6
545.12604	0.3
563.14050	18.7
564.14313	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	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03322	1.5
58.00466	4.9
59.01250	100.0
60.01595	1.1
61.98703	0.7
66.07415	0.5
69.17054	4.9
71.01253	68.6
72.01584	1.1
72.99186	4.8
73.02819	3.4
75.00753	0.5
80.96359	0.6
83.01255	3.1
83.02380	0.6
84.46687	0.5
85.02827	12.2
87.00760	3.6
89.02318	86.8
90.02658	1.3
95.01266	3.9
96.95855	0.6
98.19831	0.7
99.00745	0.9
101.02322	46.1
102.02689	1.0
103.21277	0.5
103.92799	0.4
113.02335	29.2
114.02683	0.6
119.03388	42.2
120.03725	0.8
125.02362	1.3
129.01860	1.3
131.03404	4.1
139.00293	0.6
143.03415	6.5
143.04495	0.5
145.84268	0.4
148.73796	0.4
149.04486	3.6
159.02870	0.7
161.04468	9.0
167.03458	0.8
179.05530	15.7
180.05916	1.1
255.03188	0.5
283.02457	4.6
287.62036	0.5
303.76440	0.5
306.07306	0.5
399.23804	1.5
403.06503	0.8
441.11517	0.8
561.15442	1.0
561.29126	28.9
562.16290	0.7
562.29681	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
58.00487	1.7
59.01251	23.7
61.98703	3.9
69.03311	2.2
71.01248	18.3
71.04884	3.8
71.31994	2.3
72.99166	1.2
73.02816	4.9
77.83600	1.0
80.02533	1.2
81.03332	2.3
83.01253	1.8
83.04894	6.1
83.96519	1.1
84.02055	1.7
85.02834	5.0
87.00764	2.6
89.02320	16.6
93.03343	1.2
95.01264	1.4
95.04911	2.7
97.02869	3.3
97.06455	3.4
99.04383	2.6
101.02328	16.6
109.06465	10.5
111.08079	1.3
112.05158	2.7
113.02328	10.3
115.07525	2.1
119.03388	4.8
121.02827	1.2
121.06502	1.1
123.04414	1.1
125.09612	6.0
127.07575	5.3
135.08055	5.0
137.02399	1.3
139.07529	1.9
143.03387	2.0
153.09113	32.2
154.09496	2.4
155.10693	2.3
161.04462	6.9
163.11171	3.6
165.12714	3.7
169.12263	1.3
169.87080	1.2
171.10179	43.9
172.10472	2.1
178.09923	3.0
179.05524	2.9
179.10687	1.9
181.12280	3.6
183.13850	1.3
185.11783	7.6
191.10710	1.4
191.14334	1.7
193.12299	1.9
197.11769	26.2
198.12076	2.2
199.13292	1.8
209.11775	75.9
210.12102	5.7
211.13336	13.3
225.14975	2.1
227.12871	3.1
235.13310	3.0
236.10670	1.6
237.14925	4.9
238.12090	2.8
245.19092	3.9
249.15044	1.5
253.09262	61.2
254.09657	2.3
263.20392	2.0
267.15875	1.2
279.19626	2.2
281.20935	1.7
289.18121	16.5
290.18484	2.9
297.20688	2.7
307.19138	96.5
308.19519	10.1
325.20203	100.0
326.20517	9.2
407.19171	1.5
474.21140	3.8
508.48438	1.2
526.07776	1.3
532.55798	1.1
543.27991	23.7
544.28406	5.1
561.29248	14.9
562.29413	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
57.03326	1.8
58.00462	0.9
59.01250	19.4
61.98703	1.3
69.03314	1.9
69.47479	5.1
70.60622	0.8
71.01249	17.7
71.04895	3.5
73.02805	4.2
76.95789	0.7
80.02546	1.3
81.03326	1.7
83.01251	2.0
83.04892	4.9
84.02029	1.8
85.02830	5.1
87.00755	1.8
89.02310	12.8
95.01242	1.2
95.04897	2.7
97.02813	2.1
97.06472	2.9
99.04384	2.4
99.08051	1.5
101.02328	14.7
109.06481	7.4
112.05200	3.2
113.02337	5.7
113.05923	0.9
115.07520	2.5
119.03381	3.0
121.02817	0.8
123.04435	0.7
123.07983	1.1
125.02312	1.2
125.05986	1.4
125.09652	6.6
127.07523	5.3
135.08028	4.1
137.09575	1.1
138.06747	1.6
139.07552	1.1
141.09111	0.9
143.03445	0.8
151.11159	1.3
153.09119	29.4
153.12689	0.9
154.09470	1.8
155.10643	2.1
158.46019	0.7
161.04486	6.2
163.11195	4.2
165.12761	3.0
167.03345	1.4
169.12256	1.7
170.97629	0.8
171.10178	40.8
172.10524	2.4
177.12817	0.8
178.09914	3.0
179.05525	1.7
181.12341	1.7
183.13808	1.6
185.11754	5.9
191.10733	2.6
191.14375	1.6
193.06543	1.1
193.12218	1.1
197.11787	23.0
198.12001	1.3
199.13268	1.3
209.11775	66.2
210.12129	5.0
211.13333	9.8
212.13557	0.9
227.12857	2.7
235.08292	0.8
235.13371	2.3
236.10446	1.0
237.15005	1.4
238.12039	2.6
239.16512	1.4
245.19101	2.8
249.14996	0.8
251.16447	0.8
253.09262	48.9
254.09607	3.5
263.20282	0.9
265.17926	0.9
269.35391	0.8
279.19702	1.3
281.21252	0.9
289.18100	13.4
290.18384	1.8
297.20721	2.8
307.19147	100.0
308.19519	10.4
325.20193	85.8
326.20578	10.7
407.19269	0.9
474.20996	3.0
543.28094	24.1
544.28516	4.7
561.29089	14.1
562.29407	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49681	1.0
57.32242	1.3
58.00460	1.5
59.01250	25.6
61.98705	4.3
68.22668	1.2
69.42255	9.7
71.01254	26.2
72.09995	1.1
72.99192	1.6
73.02812	6.3
81.03283	1.2
83.01292	1.4
85.02828	2.5
89.02317	45.7
96.95890	2.1
97.02811	1.7
99.00749	14.0
101.02326	20.3
113.02339	3.6
121.02792	1.5
125.02336	4.0
131.03398	8.8
137.02405	1.5
143.03409	2.5
149.04463	34.8
157.04922	1.1
161.04462	2.9
167.03500	2.8
176.52739	1.2
183.04387	2.5
191.05562	6.9
211.03967	2.5
221.06537	2.6
227.03494	6.2
238.02675	1.4
239.03596	1.4
251.07703	3.7
255.02972	10.2
258.01724	1.9
259.02469	3.7
271.02481	3.2
272.03247	4.5
283.02481	100.0
284.02814	9.5
285.03946	2.7
296.03665	1.7
297.03824	1.4
298.01266	1.5
301.03531	3.9
311.09775	2.9
313.03754	1.3
325.03607	7.4
331.04504	2.5
403.06668	19.4
404.07056	2.7
413.12579	2.1
421.07959	1.9
441.11682	10.1
442.12265	1.7
561.16016	22.4
562.16315	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02288	0.8
53.61897	0.7
54.08250	0.7
58.02847	1.2
59.01250	17.6
61.98705	2.3
65.43591	0.7
69.03319	1.3
69.43369	3.5
69.43793	2.4
71.01254	8.7
72.99153	1.0
73.02818	7.9
74.26182	0.7
75.00742	2.9
76.88680	0.8
83.01259	3.0
85.02815	2.2
87.00730	1.1
88.00314	0.9
88.98685	1.5
89.02309	6.3
93.03355	1.2
96.85030	0.9
96.95906	0.9
99.04436	0.8
101.02331	8.3
102.01826	2.3
103.00240	3.4
103.03890	1.8
104.03448	1.0
107.33868	0.7
108.02048	2.7
109.02842	1.2
113.02316	3.1
119.03423	1.4
121.02837	6.8
122.03612	2.8
123.04416	1.4
124.01541	0.8
125.02319	1.4
131.03447	0.7
134.03630	1.2
135.04416	1.6
136.01559	88.5
137.02039	2.9
143.04581	0.8
149.04495	1.3
151.03912	100.0
152.04269	4.1
154.02592	1.1
159.04402	1.1
160.05208	1.3
161.02327	1.8
161.04449	3.8
162.03180	1.4
163.03896	1.3
167.03407	2.1
175.02431	1.6
175.07600	1.5
177.05489	0.9
179.03430	0.9
189.05560	1.3
205.12216	0.7
247.09845	0.9
283.02515	5.4
309.11023	1.1
320.65543	0.8
325.20218	1.4
339.12384	1.9
342.11057	4.1
357.13431	79.5
358.13855	9.7
403.06607	2.1
441.11987	1.0
441.94305	0.8
561.15924	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28593	0.4
57.03315	1.4
58.62615	0.4
59.01244	7.2
61.98700	0.9
69.03320	0.7
69.87070	2.0
71.01250	4.5
73.02828	0.9
81.88564	0.4
83.01231	0.6
83.04879	0.5
85.02815	1.7
87.00749	1.8
89.02317	5.1
95.01303	0.5
98.20571	0.4
101.02328	5.1
107.04884	0.8
109.06493	0.5
111.00765	8.1
111.08025	1.4
113.02325	2.3
113.09541	0.7
119.03400	1.5
125.09608	0.9
141.09146	0.5
143.03409	0.7
151.11163	0.6
161.04503	2.4
163.11227	0.7
165.12762	4.1
177.12628	0.6
177.84784	0.4
179.05429	0.7
181.12253	0.6
183.13914	0.6
191.14317	0.8
193.12190	0.6
195.13785	0.5
197.11729	0.8
235.08203	0.7
247.20554	2.3
248.21222	0.6
253.09256	23.0
254.09567	1.4
261.41949	0.5
264.10318	0.6
273.18622	2.2
291.19647	46.6
292.20020	6.3
293.13599	0.5
308.19934	2.0
309.20316	0.5
323.22247	100.0
324.22580	11.0
445.51697	0.6
527.28912	0.6
559.31177	1.8
582.79462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.4
61.98701	2.4
71.01265	4.1
71.52000	0.7
72.99139	0.5
73.02829	0.7
78.95778	1.3
83.01258	0.9
85.02825	1.1
87.30006	0.5
89.02319	3.2
95.38837	0.6
101.02323	4.3
113.02325	2.0
124.72475	0.5
161.04440	1.0
235.08200	1.9
253.09268	15.4
254.09541	0.8
263.20151	100.0
264.20474	9.9
300.74973	0.5
323.22769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92926	0.2
55.01753	0.6
57.03331	1.2
58.00451	0.2
59.01248	8.5
67.00101	0.2
69.03344	0.4
69.80286	1.1
70.64465	0.2
71.01254	6.1
72.99184	0.2
73.02818	1.0
78.03751	0.2
79.05445	0.2
83.01272	0.6
83.04936	0.3
85.02813	1.5
87.00755	0.9
88.91621	0.2
89.02325	5.2
93.03302	0.3
95.01286	0.5
97.02809	0.3
97.06504	0.5
98.19713	0.2
99.00776	0.3
101.02323	6.8
107.04928	0.8
109.06496	0.4
111.00796	0.2
111.08036	0.7
113.02334	2.4
113.09624	0.4
119.03385	1.4
123.08071	0.4
125.09613	1.2
141.09100	0.4
143.03389	0.4
145.04974	0.3
147.11728	0.2
151.11212	0.6
153.09186	0.4
161.04471	2.1
163.11128	0.5
165.09123	0.3
165.12772	4.5
166.13037	0.3
168.14641	0.2
179.05557	0.9
181.12173	0.5
183.13817	0.4
191.10759	0.3
191.14348	0.6
193.12256	1.0
197.11732	0.3
197.19020	0.2
204.39162	0.2
209.11737	0.4
217.15944	1.0
221.11993	0.2
235.08180	0.6
239.13011	0.4
247.20676	2.0
253.09270	25.4
254.09592	1.3
261.69223	0.2
263.20279	0.4
273.18570	2.0
274.19000	0.3
291.19669	48.1
292.20004	5.3
295.22787	0.8
296.23001	0.3
308.19995	1.8
309.20502	0.4
323.22269	100.0
324.22601	12.6
439.68491	0.2
527.28577	0.7
559.31177	2.3
560.31476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53715	0.1
55.01757	0.3
57.03329	0.7
58.00480	0.2
59.01251	6.9
61.67717	0.2
61.98688	0.6
66.94215	0.2
67.01778	0.3
69.03321	0.2
71.01254	5.1
71.04883	0.2
71.52475	0.2
72.85488	0.1
72.99176	0.3
73.02824	0.5
75.00743	0.2
75.49277	0.2
81.03330	0.2
83.01266	0.5
85.02828	1.0
86.03187	0.2
87.00745	1.5
89.02314	4.5
89.02840	0.3
91.03874	1.0
95.01271	0.5
95.04900	0.4
97.02835	0.8
97.06461	0.4
99.00767	0.4
101.02322	5.4
105.21999	0.2
109.06489	0.3
111.00764	10.2
111.04366	0.2
111.08064	0.4
112.01080	0.4
113.02331	2.4
117.01839	0.2
119.03368	1.4
120.30934	0.1
123.04494	0.2
123.08047	0.8
125.02252	0.2
125.09602	2.8
127.07559	0.6
129.01755	0.2
131.03400	0.2
137.09589	0.3
143.03397	0.5
149.04437	0.2
158.49850	0.2
161.04483	2.1
163.11198	2.4
164.11485	0.2
165.09125	1.7
165.12801	0.4
166.09888	0.2
173.00821	0.8
173.46967	0.1
177.12772	0.7
179.05534	0.6
179.10678	0.2
181.12234	1.8
182.12747	0.2
185.11705	0.2
195.13821	0.7
197.11760	3.0
207.10248	0.8
209.11873	0.3
211.13452	0.2
221.11778	2.1
223.13358	0.3
235.08147	0.5
239.12875	2.6
240.13399	0.3
247.20656	0.6
253.09265	21.1
254.09674	1.3
273.18555	0.6
277.21741	0.8
283.57703	0.2
291.19669	6.2
292.20139	0.8
295.22778	3.8
296.23145	0.4
301.03030	0.2
305.21207	0.5
307.19312	0.8
308.19885	2.5
309.20392	0.4
323.22260	100.0
324.22598	11.4
340.19080	0.3
540.60455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03311	2.0
58.00445	1.0
59.01249	16.9
61.98689	2.8
67.32760	0.8
69.03339	0.8
70.82020	1.4
71.01251	12.2
71.04853	0.7
72.99170	1.4
73.02824	1.6
74.63821	0.7
76.33028	0.8
80.02546	1.5
81.03340	1.6
83.01252	2.0
83.04890	7.0
85.02819	3.5
87.00753	1.5
89.02325	9.6
95.01273	1.7
95.04903	2.2
97.02840	1.6
97.06460	2.0
101.02321	9.9
107.04907	6.4
109.02847	0.9
109.06467	3.4
111.04440	1.2
113.02329	5.3
113.05963	2.0
119.03387	3.1
121.02847	1.2
123.00804	0.9
123.04433	1.0
123.08077	1.9
125.02332	3.3
125.05968	3.2
125.09600	6.9
127.07562	0.7
133.02824	1.3
135.08008	4.2
137.05957	1.2
149.09605	0.9
151.07542	2.4
151.11148	0.9
153.09106	9.2
161.04483	3.8
161.05669	0.9
163.11206	6.7
165.12759	3.5
171.10176	7.9
176.08296	2.9
177.09114	1.0
178.09941	2.5
179.05591	1.8
185.11713	2.7
187.09665	1.4
191.10698	3.3
192.11400	0.9
196.71588	0.8
197.11774	19.8
206.13033	0.9
207.10181	6.3
207.13870	1.2
209.11769	96.1
210.12082	4.7
211.13322	1.2
225.11276	4.1
227.12814	1.7
235.08244	1.4
236.10526	2.5
243.17604	1.8
245.15567	1.4
253.09235	32.4
254.09566	1.7
261.18530	4.9
262.19006	1.4
263.16449	1.3
269.15439	1.6
277.18118	2.5
279.19531	5.7
287.16541	15.9
288.16684	1.1
305.17581	100.0
306.17993	8.5
323.18594	20.8
323.22153	1.5
324.19083	1.4
344.17496	0.7
445.20590	1.0
492.50070	0.7
541.26514	29.4
542.27234	4.5
559.27582	14.4
560.27820	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	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
58.84720	0.7
59.01242	6.6
61.98699	3.2
63.33965	0.7
67.01751	2.2
71.01234	3.0
71.53050	1.1
75.00728	2.8
85.02849	0.8
87.00753	7.0
89.02304	2.3
91.03880	13.0
99.00745	2.5
101.02338	1.1
111.00762	100.0
112.01108	3.1
115.91978	0.9
154.99809	0.7
160.34958	0.7
171.30414	0.8
173.00813	8.3
195.13766	2.8
223.13242	2.5
253.09145	1.0
275.20154	2.8
277.03064	0.9
293.21219	43.7
294.21625	5.5
303.16068	1.0
557.25439	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	557.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22380	2.1
58.75830	2.3
59.01251	8.1
61.98705	9.6
65.00195	10.8
65.69001	2.4
69.03342	3.0
69.24876	9.7
69.25302	10.5
71.01252	3.9
73.52405	2.1
75.00729	2.9
76.23905	2.5
85.02795	2.9
95.01267	9.1
98.19876	5.8
99.92461	2.7
101.02319	4.2
107.01295	5.8
108.02074	5.3
109.02837	6.4
111.00771	4.5
116.92747	11.9
121.02835	35.5
123.00749	5.0
123.04509	2.9
124.01552	3.0
125.02322	22.3
131.01300	10.9
135.00798	4.8
137.02306	3.6
139.00291	10.0
143.04904	5.1
145.02791	2.6
147.04420	3.4
149.02324	21.7
150.03050	2.8
151.00281	27.2
152.01085	7.1
157.02875	4.2
159.04350	3.0
161.02380	6.2
163.00281	32.1
163.03865	3.1
164.98213	3.1
165.01871	4.5
165.05434	3.9
167.03445	7.5
168.00525	3.8
169.01352	6.6
171.04422	6.9
173.02386	5.6
175.00272	30.4
177.01886	5.3
183.04501	3.4
185.02312	5.8
187.03970	8.0
190.99799	9.2
193.01411	7.0
197.02379	3.2
198.03143	6.6
199.03928	16.6
201.01843	13.0
202.02536	2.6
202.99812	3.9
203.03409	5.3
205.01370	7.0
210.02992	2.4
211.04073	3.1
212.04564	2.2
213.01872	6.5
214.02586	3.4
215.03470	36.1
216.04178	3.6
217.01402	6.7
225.01938	3.0
226.02550	3.3
227.03461	41.1
229.01411	10.2
229.04906	3.1
230.02078	4.0
231.02921	4.1
241.01428	18.7
242.02051	4.8
243.02937	40.9
244.03522	3.0
245.00850	6.6
253.01454	11.4
254.02180	20.3
255.02951	20.0
256.03748	5.8
257.00931	3.3
257.04568	3.6
258.01614	4.8
259.02487	8.0
269.00909	35.7
270.01556	5.7
271.02469	100.0
272.02896	11.9
274.01074	3.8
281.00845	3.0
282.01672	75.1
283.02338	76.5
284.02905	13.5
285.00787	3.9
285.04050	12.7
286.01199	2.9
286.04672	3.0
287.01868	15.0
289.00079	3.3
290.00699	33.1
297.00436	27.5
298.01050	7.7
299.02036	14.8
300.02521	5.4
301.03574	4.9
311.01965	17.7
312.02734	12.3
313.03592	8.9
315.01474	86.3
316.01767	8.2
325.03568	4.6
327.01355	3.5
329.02911	3.0
363.07516	3.2
391.06467	14.2
393.06107	3.8
398.52087	2.6
402.05875	21.3
403.06543	9.6
405.06409	4.8
407.06268	5.0
417.04556	13.9
419.06299	4.5
435.05563	45.4
436.06232	4.3
437.05383	4.8
513.10791	3.6
524.09625	35.6
525.09912	9.9
557.09393	25.4
558.09674	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	557.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12070	1.0
51.75104	0.7
51.96672	0.7
52.40380	0.8
64.37524	0.7
65.00180	1.7
69.21429	3.3
69.21864	3.9
80.16819	0.7
84.85597	0.8
93.03310	5.0
95.01250	1.9
99.18008	0.7
102.84956	0.7
108.02092	0.8
109.02827	21.7
109.19966	0.8
123.00763	3.7
137.02356	8.6
139.92146	0.7
149.02310	5.7
151.00250	2.4
153.01830	19.1
153.54639	0.8
154.02196	0.7
155.04906	0.9
161.02357	1.0
163.00296	1.4
163.20993	0.9
165.01834	1.0
171.04442	1.0
174.03102	0.9
175.00314	3.6
183.04446	1.3
185.02354	1.0
185.31653	0.7
187.03891	0.9
189.01822	1.3
199.03836	1.8
201.05280	0.8
211.03894	1.7
213.01813	0.8
214.02454	1.1
215.03413	2.0
217.01353	1.0
224.17810	0.8
225.01897	1.1
227.03397	6.3
229.01357	2.1
230.01955	1.0
239.03577	1.0
243.02931	3.8
245.00876	2.6
253.01317	4.3
254.01991	1.1
255.02953	10.9
256.03528	1.2
257.00897	3.7
258.01657	2.7
259.02432	4.5
269.00906	2.3
270.01324	1.5
271.02472	13.6
272.02942	2.6
273.00458	3.1
273.03812	3.9
274.01169	48.1
275.01837	9.9
281.00854	4.6
282.01703	1.6
283.02463	74.3
284.02835	6.9
285.04013	2.3
287.01950	2.8
288.02686	1.6
289.03418	2.3
298.00958	3.3
299.01950	100.0
300.02316	9.4
301.03503	14.3
302.03854	1.8
313.03253	1.1
317.02930	7.2
325.03439	2.2
329.02710	1.3
331.04663	6.4
341.02972	3.2
347.04077	3.6
401.05045	2.4
403.06680	26.7
404.07031	3.9
419.06140	58.7
420.06421	6.8
421.07767	19.4
422.07883	1.9
437.07190	9.1
438.07141	1.9
545.87872	0.8
557.09326	52.8
558.09479	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	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
59.01250	100.0
60.01585	1.3
61.01643	0.2
61.98703	4.4
63.99160	0.2
70.38469	0.3
70.38860	0.3
71.01254	3.2
72.40692	0.1
73.02818	1.3
74.19678	0.2
80.96394	0.4
83.01262	0.5
85.02822	1.6
87.00734	0.3
87.87203	0.2
89.02329	0.4
98.19844	0.2
99.00732	0.4
101.02324	2.9
113.02332	1.3
122.58742	0.2
125.02387	0.2
145.67632	0.2
159.02870	0.3
161.04465	2.4
197.92564	0.2
285.04166	0.2
292.72180	0.2
333.24564	0.7
375.07581	0.2
495.29599	5.1
496.29694	1.0
555.31769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
61.98684	0.7
62.26193	0.3
65.00187	0.4
70.69508	0.8
70.69862	0.7
86.06631	0.3
91.01767	1.4
95.01235	0.6
101.02290	0.4
108.02034	1.0
109.02836	32.6
110.03136	1.0
113.68200	0.4
119.98414	0.4
123.00808	0.4
135.04399	0.6
153.01839	40.6
154.02177	1.8
164.00244	0.3
175.00288	0.4
179.03439	0.6
183.04420	1.1
199.03914	0.8
211.03918	1.6
213.01813	0.4
215.03409	0.4
227.03452	3.5
228.91898	0.3
229.01378	0.4
229.04965	1.0
238.02725	0.7
243.02850	0.4
254.02141	0.6
255.02954	5.1
258.01721	1.7
259.02432	6.4
271.02493	5.1
272.03177	3.6
273.04019	5.4
282.01675	0.5
283.02463	100.0
284.02814	8.5
285.04059	1.7
297.00098	0.3
297.03928	0.7
298.01123	0.4
299.02112	2.2
301.03528	24.3
302.03900	2.1
313.03485	2.0
325.03485	2.5
331.04602	12.0
332.04843	1.1
343.04413	0.7
393.06158	1.1
403.06674	39.2
404.06992	4.5
419.05951	0.6
421.07736	34.3
422.07993	4.3
437.05109	2.6
557.09363	33.2
557.16949	0.7
558.09521	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	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
59.01250	100.0
60.01585	1.3
61.01643	0.2
61.98703	4.4
63.99160	0.2
70.38469	0.3
70.38860	0.3
71.01254	3.2
72.40692	0.1
73.02818	1.3
74.19678	0.2
80.96394	0.4
83.01262	0.5
85.02822	1.6
87.00734	0.3
87.87203	0.2
89.02329	0.4
98.19844	0.2
99.00732	0.4
101.02324	2.9
113.02332	1.3
122.58742	0.2
125.02387	0.2
145.67632	0.2
159.02870	0.3
161.04465	2.4
197.92564	0.2
285.04166	0.2
292.72180	0.2
333.24564	0.7
375.07581	0.2
495.29599	5.1
496.29694	1.0
555.31769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	1.4
63.96090	2.4
67.80054	0.6
68.35572	0.6
69.87627	3.1
71.01254	6.8
73.02802	1.6
78.98478	5.1
79.93217	0.7
79.95609	10.1
80.96390	66.2
85.02834	2.7
87.00732	2.0
90.15181	0.8
94.97963	14.0
96.95904	1.6
97.02804	1.3
99.00693	0.8
101.02341	1.7
106.93897	0.7
106.97961	2.2
111.62438	0.7
122.97444	3.0
125.02369	3.5
127.03869	0.7
134.97464	3.5
136.99020	1.4
148.99049	5.4
152.98561	5.5
155.78224	0.7
164.98520	10.8
206.99626	2.4
225.00690	16.0
255.23256	1.5
299.04382	2.8
309.37305	0.8
460.65649	0.9
465.12137	0.8
555.28412	100.0
556.28729	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	555.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.2
61.98704	1.0
62.46548	0.4
70.16154	0.4
70.66129	1.0
71.01215	0.7
73.02807	0.7
83.01265	0.9
90.08435	0.4
92.00151	0.4
93.03336	32.4
94.03638	1.1
101.02344	0.9
108.02071	2.3
108.74191	0.4
116.92728	0.6
123.04392	0.8
137.02345	56.4
138.02669	2.9
152.01077	5.4
167.03421	10.8
183.10155	1.2
198.03159	1.4
210.03249	0.8
225.11325	1.9
226.02696	1.1
229.01418	1.3
243.12350	1.3
244.03618	0.6
253.01492	0.9
254.02184	20.3
255.02531	1.7
258.01636	0.8
259.02444	1.1
264.60199	0.4
267.03107	0.5
271.02457	4.1
272.03265	19.5
273.03680	1.9
282.01697	70.5
283.02069	7.7
287.01892	0.8
297.04034	100.0
298.01175	1.3
298.04343	9.9
299.01947	0.7
300.02682	1.4
304.02194	1.4
315.05069	8.4
316.05234	0.7
324.02713	0.7
330.03940	0.5
339.05020	0.6
345.06149	2.3
387.16544	1.6
409.29608	0.6
417.08273	50.4
418.08713	6.1
435.09335	8.8
436.09760	1.3
555.11816	0.6
555.20813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.83731	0.4
59.01247	0.6
61.98708	0.6
63.96098	1.0
65.28790	0.3
69.25307	3.6
71.01252	5.5
73.02814	1.1
78.98469	5.0
79.95602	7.6
80.96390	51.9
85.02823	2.2
87.00731	1.8
94.97964	12.4
96.95886	0.7
97.02826	0.9
101.02304	2.6
106.76070	0.3
106.97964	2.0
122.97475	5.0
125.02335	2.7
127.03859	0.7
134.97467	3.0
136.99045	1.2
148.99068	4.8
152.98544	5.3
154.70865	0.4
164.98541	10.4
179.47032	0.5
182.99596	1.7
206.99614	2.3
225.00694	14.6
226.00974	0.5
243.01797	1.7
255.23282	2.4
299.04407	2.9
501.44138	0.4
555.28412	100.0
556.28784	17.0
556.37683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54333	0.4
59.01253	23.4
64.69340	0.4
69.94220	1.9
75.21708	0.3
78.60015	0.4
78.95776	17.9
79.95629	0.5
80.96388	1.4
88.37183	0.4
94.97961	0.5
122.98388	0.5
152.99501	2.8
168.04216	2.6
224.06868	8.1
225.07236	0.4
242.07983	1.7
255.23270	100.0
256.23624	9.8
386.99020	0.4
480.30945	60.5
481.31284	10.1
495.27274	0.6
554.27234	1.6
555.26691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62745	0.2
55.01752	0.2
59.01251	100.0
60.01587	1.1
61.98708	0.6
69.42639	1.1
71.01260	1.7
72.47062	0.1
73.02827	0.6
80.07649	0.1
83.01270	0.4
85.02828	0.7
87.00742	0.2
89.02302	0.2
95.01241	0.2
98.48743	0.2
99.00797	0.2
101.02342	1.3
109.75739	0.2
113.02368	0.7
128.03429	0.2
160.65981	0.2
161.04472	1.4
262.80099	0.2
331.22656	0.8
493.28070	7.0
494.28378	1.1
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
56.27473	0.8
59.01245	3.9
61.98704	100.0
68.24532	0.9
69.03330	8.1
71.01254	1.6
71.51778	1.2
75.00681	0.9
79.01765	2.0
79.87125	0.9
80.96366	1.5
89.02319	0.9
95.01292	1.2
97.02829	4.6
101.02309	1.0
107.01270	4.3
108.02060	13.9
123.00752	2.0
125.02335	11.8
128.03468	1.8
135.00777	27.4
143.04527	1.6
147.76044	0.8
151.00261	1.4
152.01060	44.8
153.01486	1.7
175.02501	1.1
182.20171	1.0
242.05870	1.0
243.06606	69.4
244.06999	4.6
272.03195	1.1
306.07578	1.9
309.84341	0.9
387.10959	1.0
423.48462	1.0
434.12341	0.9
448.40625	0.9
453.33588	0.9
553.31769	1.1
554.32208	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	553.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01239	1.2
61.98684	0.8
63.96106	1.0
69.03311	0.5
70.38316	1.4
71.01251	7.2
73.02825	1.9
78.12215	0.4
78.98458	5.9
79.95599	9.4
79.96032	0.6
80.96387	65.0
81.03339	0.8
81.96331	0.5
85.02820	3.0
87.00743	2.5
94.97954	15.3
96.95882	1.4
97.02834	1.3
98.19878	0.4
99.00748	0.7
101.02294	3.0
104.79928	0.4
106.97974	2.8
111.79192	0.4
114.59736	0.4
122.97466	5.9
125.02316	2.8
126.44428	0.4
127.03909	0.7
134.97456	3.8
136.99011	1.0
138.96867	0.3
148.99054	5.7
152.98549	6.2
157.63904	0.3
164.98543	11.4
175.66650	0.5
182.99564	2.3
188.98628	0.5
206.99649	2.9
225.00706	17.1
243.01788	1.8
253.21703	3.4
279.23285	0.6
299.04388	2.8
553.26831	100.0
554.27161	17.3
566.02515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
61.98706	17.6
63.96095	0.9
69.03318	0.6
71.01254	7.6
71.52199	0.7
73.02816	1.6
78.55913	0.3
78.98458	5.2
79.95606	9.7
79.96086	0.5
80.96390	62.0
81.03333	0.7
85.02806	2.5
87.00743	2.5
92.35661	0.4
94.97961	15.3
96.95902	1.9
97.02822	1.3
97.07024	0.4
99.00740	0.8
101.02313	3.0
106.97981	2.8
107.26824	0.4
122.97478	5.1
125.02341	2.5
127.03847	0.5
134.97476	4.3
136.99075	0.9
138.62813	0.4
148.99043	6.8
152.98544	5.9
164.98537	10.5
182.99606	2.1
188.98511	0.6
193.25429	0.3
206.99626	2.7
222.63379	0.3
225.00694	16.2
226.00999	0.7
243.01715	1.7
253.21678	3.1
254.21892	0.6
299.04434	2.9
548.30792	0.4
553.26831	100.0
554.27124	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	553.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34952	0.5
59.01249	3.5
61.98704	3.6
62.49971	0.4
69.03008	0.4
69.03323	2.8
71.01254	1.9
72.99177	1.1
78.95786	0.6
81.03325	1.2
83.01263	1.0
85.02831	0.6
89.02319	1.3
93.03314	0.7
95.01258	1.6
97.02838	2.4
101.02332	1.4
107.01282	1.6
108.02049	2.0
108.05800	0.4
109.02838	1.2
119.03374	0.5
121.02778	0.6
123.00770	6.4
123.04376	0.5
124.01564	19.9
125.02341	44.2
126.02681	1.7
133.02831	0.5
133.26003	0.5
135.04350	1.0
137.02322	2.7
139.03922	0.7
149.02371	0.6
149.05859	0.4
149.99490	26.1
151.00270	2.8
151.03926	1.3
152.01039	1.3
153.01750	0.8
161.02325	0.7
163.03932	0.6
165.01807	0.7
167.03453	0.8
168.00555	55.2
169.01237	4.7
179.03442	0.9
271.02768	0.5
272.03146	0.8
273.03662	0.6
283.02475	1.4
287.01910	0.6
342.96317	0.6
401.11044	0.5
427.08728	1.3
445.09854	100.0
446.10248	10.8
505.20654	0.5
553.15570	0.6
553.23450	0.9
553.32666	0.6
554.16565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41226	0.9
59.01254	1.2
61.98705	1.0
70.53493	3.1
70.53844	1.1
71.01258	1.8
76.78722	1.0
85.21156	1.1
89.02338	1.6
109.02832	4.9
119.34303	1.0
121.02730	1.0
122.04472	1.0
123.04398	1.0
125.02340	1.9
136.01567	2.1
137.02269	1.7
146.03673	1.2
147.04385	2.3
151.03949	5.5
152.01085	2.1
165.01871	2.2
165.05499	3.6
167.03416	2.0
173.02452	1.3
175.03873	1.3
176.04652	1.4
177.05493	1.3
179.07112	1.2
181.04924	1.2
189.05397	1.2
191.07123	1.7
192.04222	1.0
209.08156	1.4
215.03514	1.6
229.04993	1.7
230.22527	1.0
241.05154	1.7
242.02261	4.3
243.02963	2.9
251.09938	1.1
253.38332	1.0
257.04568	1.3
258.01639	13.5
259.02417	14.0
269.04654	1.3
270.01678	6.2
271.02493	20.4
272.03265	15.7
273.03726	1.3
283.02484	2.6
283.06027	3.1
285.04022	41.9
286.04422	3.4
297.04117	1.6
297.07556	1.6
298.01184	53.0
298.08368	4.3
299.01807	8.3
299.05148	2.2
301.03455	3.6
304.02448	1.3
313.03531	41.1
313.07382	2.0
313.10901	10.2
314.03897	3.2
314.11081	1.7
315.05237	9.6
316.05566	1.3
325.03632	2.0
328.09500	2.8
331.04721	1.4
331.11826	1.1
339.04962	1.2
343.04523	2.7
343.11841	11.8
355.04523	1.6
357.05988	1.2
359.07779	1.7
361.12985	11.6
367.04529	2.3
373.12924	3.5
385.05759	4.4
391.13947	9.2
403.06631	20.7
404.07172	2.2
463.08829	55.7
464.09152	7.3
535.11029	9.6
535.18066	2.1
553.11969	100.0
554.12390	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	12.1
60.01563	0.3
61.12520	0.2
68.97056	0.2
70.08562	0.7
71.01254	2.9
73.02813	0.8
76.23855	0.2
83.01245	0.4
85.02809	0.7
89.02317	3.0
99.00767	0.3
101.02334	3.6
103.03893	0.3
113.02332	1.5
116.47993	0.3
119.03390	0.7
133.04875	0.3
136.35475	0.3
141.45813	0.2
143.03409	0.3
161.04480	0.9
179.05525	0.3
235.08205	2.4
253.09264	14.6
254.09660	0.7
255.23270	100.0
256.23611	9.6
269.08185	0.7
491.32489	0.4
495.97055	0.2
554.57672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26036	1.1
55.01739	4.0
57.03316	3.8
59.01251	100.0
61.98702	3.9
71.01254	54.3
72.99174	1.5
73.02441	2.0
73.02824	20.2
74.50565	1.1
75.00764	2.0
75.71955	1.1
78.95776	1.4
83.01262	8.1
84.02045	1.2
85.02826	24.5
87.00748	37.5
89.02319	3.8
93.03310	1.2
95.01250	4.4
97.02834	2.3
99.00758	7.6
101.02325	33.7
105.34618	1.0
107.39569	1.0
111.00768	4.7
113.02336	26.3
129.01823	5.5
143.03423	2.3
159.02888	9.1
161.04460	38.4
162.04732	1.4
205.03514	2.3
231.60617	1.0
243.17523	2.4
283.16580	1.1
299.20187	2.6
308.81720	1.1
329.21222	32.4
329.64987	1.2
330.21323	4.8
401.23401	17.4
402.23666	2.1
491.26520	93.9
492.26749	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92262	2.7
57.03311	3.9
59.00955	5.0
59.01247	100.0
64.13538	2.6
67.01772	3.5
71.01247	30.3
72.99160	5.0
73.02822	10.2
78.95800	3.2
81.03302	3.6
83.01253	5.0
83.04903	3.6
85.02831	16.0
87.00739	7.1
87.04521	2.6
89.02316	9.4
93.03325	3.0
98.19815	8.1
99.00784	3.3
101.02327	20.5
113.02314	11.9
119.03358	5.2
125.02348	4.0
137.02307	8.7
138.01793	3.1
143.03438	2.7
151.00233	6.1
161.02345	2.9
179.03450	6.9
194.05762	3.5
209.08142	6.3
243.02939	2.9
247.09517	2.9
259.02460	7.6
261.04611	2.6
271.02451	6.4
271.05795	2.8
272.03003	3.0
273.00357	5.3
285.20670	10.3
286.01151	3.3
287.01926	21.7
288.02652	23.9
301.03448	7.6
315.01431	10.1
316.01968	8.6
317.02841	4.3
331.08212	4.0
343.08130	3.0
347.18179	3.2
399.10379	4.6
413.08875	7.4
431.08676	18.1
431.13965	9.6
436.06308	7.4
447.25888	8.8
449.27527	3.7
461.10828	5.8
465.26877	10.4
507.22113	2.6
507.28070	73.1
508.28458	13.1
533.18292	4.2
550.43372	5.3
551.13483	47.8
551.30743	84.7
552.15387	9.7
552.31372	15.8
579.00568	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	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85029	1.7
55.01758	3.0
59.01250	100.0
61.98698	3.4
69.47250	13.7
71.01249	14.2
73.02812	6.3
83.01276	3.4
85.02811	7.3
87.00742	2.3
89.02320	3.7
91.89165	2.1
98.19740	4.2
101.02306	10.8
108.02052	2.8
109.02850	2.5
113.02336	5.1
121.02853	2.3
151.73289	1.8
152.01053	6.6
213.38750	2.2
233.00851	2.3
243.19481	2.3
245.00800	2.6
257.00974	2.5
258.01682	2.8
259.02451	6.5
259.91302	2.0
271.02405	3.2
272.03290	4.7
273.00507	2.4
275.02060	4.0
283.02509	3.6
287.01999	12.3
288.02756	32.5
289.02972	4.4
299.01904	3.6
301.03442	3.8
303.01602	3.1
315.01569	2.9
316.02136	10.0
317.02930	6.3
320.01587	2.2
346.03036	2.1
405.24359	2.0
417.70557	2.3
431.09756	12.3
432.10440	2.5
436.06351	6.3
443.09418	2.3
447.25861	2.8
461.10907	3.2
463.53812	2.3
465.27084	5.5
505.58624	1.9
507.28073	88.7
508.28571	13.0
533.12317	3.1
551.14001	37.3
551.30408	3.7
552.14185	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29309	0.5
57.03302	0.6
59.01253	18.4
60.14715	0.5
61.98701	0.9
70.20215	0.5
71.01253	3.3
72.99178	5.0
73.02823	1.0
83.01224	0.6
83.75531	0.4
85.02814	2.3
89.02316	1.3
91.17496	0.5
93.03325	3.6
98.20544	1.4
99.00742	0.8
101.02314	2.4
101.88000	0.5
113.02332	1.2
117.03343	11.8
118.03628	0.6
118.97907	0.5
121.02926	0.5
131.01263	2.2
135.04366	0.6
137.02368	4.8
163.03885	1.4
173.02338	7.1
174.02704	0.7
175.00279	8.9
176.00595	0.6
181.18449	0.5
249.05551	1.1
259.02362	0.7
283.02673	0.6
283.06088	2.8
287.01999	1.9
288.02719	3.4
293.04547	100.0
294.04910	9.6
301.03571	1.0
311.05606	5.1
315.01276	0.9
316.02200	0.9
327.79517	0.5
335.05817	0.9
398.70944	0.5
413.08759	47.9
414.09122	7.1
431.09491	4.5
436.06323	1.0
447.20135	0.5
447.25638	2.6
461.10312	0.7
465.26974	2.5
507.28098	14.9
508.28717	1.8
538.91077	0.6
551.13568	5.2
551.30804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
58.00450	1.5
58.52293	0.8
59.01250	27.2
61.98706	4.8
61.98992	1.1
69.76324	3.7
71.01254	23.7
72.99180	2.4
73.02820	1.6
73.03847	0.7
75.00775	1.0
83.01270	1.3
85.02814	5.7
87.00751	3.1
89.02317	28.5
93.03320	1.0
95.01277	1.7
97.02807	1.0
98.20544	1.2
99.00771	1.4
101.02328	11.0
108.02032	1.5
109.02821	1.2
113.02337	8.1
119.03397	11.6
121.02820	2.0
125.02359	1.0
131.03416	1.8
135.04416	2.1
136.01566	0.8
137.02370	2.6
139.00322	0.8
143.03403	2.1
145.02876	2.5
146.03638	68.3
147.04135	3.5
149.04417	1.3
151.03865	0.9
152.01135	3.8
161.04507	3.2
161.05968	18.7
161.42009	0.8
163.03922	2.0
164.04706	42.3
165.05034	2.5
175.03949	1.6
179.05571	8.6
179.07050	100.0
179.78110	1.0
180.07359	5.3
209.07909	0.8
272.02866	0.8
281.24091	0.7
287.01947	1.2
288.02637	2.2
297.02972	0.8
371.34067	0.7
389.16129	3.3
390.16974	0.9
431.09583	0.8
521.20233	1.6
533.20313	1.2
551.13678	3.6
551.21490	1.2
551.31561	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	551.2123
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01757	2.1
57.03318	2.3
58.00475	3.8
59.01251	100.0
59.60065	1.6
60.01616	1.9
61.98717	4.7
62.97114	1.6
68.87502	1.8
71.01254	63.1
71.52390	2.0
72.99184	7.7
73.02826	5.3
75.00748	2.0
83.01263	6.4
85.02814	15.6
87.00753	10.4
89.02316	87.7
90.02646	2.5
93.03326	2.8
95.01269	4.9
100.01527	1.7
101.02321	48.5
108.02055	6.5
109.02873	2.7
113.02321	26.2
113.08337	1.6
119.03388	47.6
121.02837	2.2
123.04397	4.2
125.02295	2.8
126.70570	1.8
128.96002	1.7
129.01837	2.0
131.03398	3.7
133.91563	1.8
134.03627	2.7
136.01543	4.4
137.02370	11.3
137.47444	1.6
139.53648	1.8
143.03418	7.4
149.04539	2.9
151.03902	7.4
152.00987	2.7
158.03532	1.8
159.04395	4.4
160.05235	14.8
161.04471	5.9
161.05957	3.9
163.03967	3.0
164.04718	2.8
172.05217	4.9
175.07576	10.3
177.05502	5.6
179.03311	2.4
179.05525	14.2
187.07597	2.4
188.04794	2.0
189.05484	8.2
190.06310	8.0
203.07124	2.1
205.08655	6.1
221.99789	2.0
259.02634	2.4
285.03616	2.2
287.02042	7.2
288.02505	4.7
299.05624	2.0
311.09357	3.4
315.01550	4.1
317.02890	2.1
325.11081	1.8
326.11652	5.4
341.13882	5.6
359.14886	14.7
360.15561	2.7
371.15018	37.8
372.15356	5.4
382.55167	2.0
389.16080	4.6
413.08871	4.2
431.09726	7.4
431.14362	3.1
443.09711	2.0
461.10495	2.0
465.27023	3.0
507.27997	11.0
508.28552	2.1
517.28784	1.8
551.14172	11.1
551.21326	73.3
551.30414	12.3
552.14667	2.9
552.21667	14.0
552.30048	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	551.1772
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
51.93445	0.1
52.74571	0.1
53.22768	0.1
55.66156	0.1
59.01242	0.3
61.76819	0.2
61.98683	0.1
65.00186	0.7
69.03322	0.1
70.28129	0.5
75.68365	0.1
80.02535	0.4
81.03317	0.2
91.01768	13.9
92.02110	0.5
93.03306	0.2
95.01272	0.6
107.01292	0.3
107.04904	0.5
108.02052	16.6
109.02877	3.6
121.02837	0.7
123.00770	5.4
124.01572	0.6
125.02332	0.1
126.01597	0.1
135.00777	12.6
136.01137	0.6
137.02353	3.0
152.01056	15.7
153.01532	0.7
165.01918	0.2
169.06471	0.2
197.06041	1.3
198.06352	0.2
199.07617	0.3
208.90578	0.2
213.05496	1.0
215.07053	0.7
225.05553	0.4
241.05066	0.2
243.06596	100.0
244.06935	7.6
244.09448	0.2
283.02466	0.2
443.11819	0.7
551.17706	6.2
552.18121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
55.52947	0.8
55.55534	0.9
59.01231	2.4
65.71523	1.0
69.28456	6.2
69.28860	1.6
71.01240	2.6
71.11443	0.8
72.99162	1.1
85.02795	2.0
89.02319	1.9
108.02056	44.0
109.02875	7.7
113.02349	1.2
121.02847	23.2
123.00773	1.1
152.01057	100.0
153.01591	4.1
163.03885	4.0
177.01920	1.4
179.03459	1.3
179.07068	1.1
230.58858	1.1
294.58054	1.0
370.60779	1.1
382.60544	0.9
428.37552	1.0
429.10355	25.3
430.10641	2.6
551.14069	52.9
552.14227	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	551.1194
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
50.91269	0.5
57.03318	0.6
59.01254	11.9
59.25426	0.6
61.98697	1.3
65.09993	0.5
71.01243	2.2
71.44852	0.5
71.52109	0.6
73.02818	1.3
73.46848	0.5
83.01279	0.9
85.02796	0.7
89.02348	1.0
93.03335	18.5
99.00742	0.8
101.02350	1.3
108.02060	0.6
109.02825	0.7
113.02305	1.0
117.03349	9.5
125.02315	0.8
127.68205	0.5
129.85815	0.6
131.01294	2.8
137.02344	28.3
138.02678	0.8
150.74316	0.5
151.00359	0.6
163.03951	1.2
165.05452	0.8
173.02328	5.4
175.00287	11.7
176.00790	0.8
235.95782	0.6
237.05478	0.8
251.55733	0.5
257.67865	0.6
259.02420	1.5
265.04971	0.6
271.02505	0.7
272.03262	1.3
273.03925	0.7
275.02036	1.1
283.02811	0.9
283.06082	2.9
287.01917	3.2
288.02722	6.2
289.03262	0.9
289.06677	0.7
293.04556	100.0
294.04919	9.9
299.02130	0.6
299.05362	1.0
301.03546	1.2
303.01340	0.6
311.05643	3.7
315.01489	1.3
316.02206	1.8
317.02786	1.2
331.08084	1.2
341.06741	1.1
360.32413	0.7
399.10715	0.7
413.08749	48.2
414.09216	6.7
431.09018	6.4
431.14569	1.1
435.05734	0.7
436.06256	2.0
447.26044	1.1
459.27676	0.7
465.27063	1.0
507.28015	7.6
551.13849	8.0
551.30060	2.0
552.14142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84447	0.3
53.69318	0.3
59.01252	15.5
59.06780	0.3
67.67805	0.3
71.01248	3.0
73.02809	1.0
83.01270	0.5
85.02798	0.7
89.02312	2.5
98.19713	0.6
98.68568	0.3
98.76534	0.4
101.02312	2.8
113.02332	1.3
115.03933	0.4
119.03359	0.6
155.46225	0.4
161.04457	1.0
196.86067	0.3
197.17517	0.4
235.08200	1.4
245.80771	0.3
253.09282	12.9
253.21706	100.0
254.09576	0.6
254.22046	9.0
290.68124	0.4
297.18921	0.4
313.58340	0.4
401.85132	0.5
410.40021	0.4
468.91357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.2
59.01252	4.2
61.98688	0.2
68.10718	0.2
69.20579	1.7
69.20982	0.3
71.00893	0.3
71.01255	2.5
73.02814	1.4
81.65252	0.2
83.01246	0.8
85.02818	1.3
87.00717	0.3
89.02326	1.1
95.01319	0.2
97.02847	0.2
99.00752	0.4
101.02322	3.0
103.03895	0.5
109.02826	1.1
113.02310	0.7
115.44842	0.2
119.03370	0.4
121.02781	0.3
125.02309	0.6
143.03392	0.3
143.04918	0.2
147.04433	0.5
148.01576	0.4
149.02341	0.2
151.72932	0.2
155.04887	0.6
157.02893	0.4
161.04477	0.8
163.06055	1.2
163.07230	0.2
165.12752	0.3
167.04971	0.5
171.04382	0.5
173.06018	0.2
175.00301	0.7
183.02950	0.3
183.04448	2.8
185.02386	0.4
187.03934	0.5
195.04424	0.3
198.03171	0.3
199.03958	1.2
205.07170	0.4
209.02409	0.2
210.02965	0.2
211.03947	4.5
212.04343	0.3
213.01845	0.4
215.03442	0.4
226.02740	0.5
227.03462	8.8
228.03859	0.4
229.01453	0.2
237.01884	0.6
238.02695	1.7
239.03395	1.8
240.04045	0.3
241.05081	0.2
243.03059	0.3
247.08240	0.2
253.01357	0.2
253.05009	0.2
254.02199	1.8
255.02972	11.5
256.03384	1.1
258.01691	1.4
259.02487	2.0
265.01392	0.3
266.02155	1.2
267.03018	1.8
268.03699	0.9
269.04633	0.2
271.02490	2.7
272.03229	3.0
281.04559	0.8
282.01578	0.9
283.02469	100.0
284.02820	9.0
285.04056	1.5
286.01001	0.2
287.02017	0.3
288.30338	0.2
295.02505	0.4
296.03268	1.8
297.03964	2.1
298.01343	0.9
298.04236	0.2
299.01944	0.3
301.03564	0.9
309.04114	0.4
311.01971	0.7
313.03543	0.8
322.36047	0.2
324.02875	0.2
325.03506	5.4
326.03934	0.5
345.19272	1.6
355.04688	0.6
359.08984	0.2
373.06982	0.4
385.06760	0.4
387.08746	4.8
388.09064	0.6
399.08762	0.2
403.06723	18.0
404.07037	1.5
431.07657	8.4
432.07831	1.0
443.07831	0.4
461.08777	0.2
489.11377	0.3
491.25064	3.8
492.25427	0.2
507.12930	4.5
508.13242	0.7
533.10748	0.8
551.11975	19.1
552.12238	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	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.9
61.76926	0.5
61.83803	0.4
67.86108	0.4
70.90163	1.3
71.01240	2.8
73.02825	0.6
75.82002	0.4
85.02874	0.4
89.02339	2.4
92.97587	0.5
101.02310	2.3
113.02315	1.4
115.03867	0.5
119.03394	0.7
161.04457	0.9
235.08282	1.8
253.09282	11.9
253.21706	100.0
254.22061	9.8
534.88568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62624	0.8
58.23197	0.7
59.01250	16.8
59.31426	0.7
71.01263	2.3
71.51726	0.8
78.95773	1.9
88.58248	0.7
89.02302	2.0
90.78706	0.7
93.51023	0.7
101.02329	2.5
113.02334	1.4
235.08180	1.5
253.09299	12.3
253.21704	100.0
254.22015	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	549.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11406	0.2
59.01236	0.8
61.98709	0.6
70.28191	0.4
70.28583	0.6
71.01253	0.6
78.95779	6.0
79.95623	2.1
83.02378	0.3
83.04888	0.4
83.11488	0.2
85.02843	0.4
87.00675	0.3
87.02039	0.2
89.02322	0.3
93.40790	0.2
95.01315	0.2
96.95889	100.0
96.96795	10.6
97.95866	0.3
98.02351	4.7
101.02300	0.5
126.44901	0.2
127.77790	0.2
137.02344	0.3
150.55048	0.2
151.91089	0.3
275.45590	0.3
298.01199	0.3
303.56342	0.3
333.22995	0.5
490.33926	2.1
526.03308	0.3
549.25446	0.4
550.12872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37607	0.4
53.68773	0.5
55.01757	3.2
57.03322	2.5
58.00457	1.4
59.01249	30.8
60.01570	0.6
61.98689	1.2
66.58205	0.4
69.03310	2.1
69.31902	2.9
69.32312	0.7
71.01251	54.1
71.17879	0.4
72.01588	0.7
72.99178	2.5
73.02821	17.5
75.00735	1.6
81.03331	0.6
83.01260	6.2
85.02821	18.8
86.03150	0.6
87.00736	2.4
87.04395	1.3
89.02318	27.1
90.02606	0.5
95.01250	4.2
97.02840	2.8
99.00754	12.4
101.02322	29.8
102.02617	0.7
109.02872	0.6
111.00756	1.6
113.02331	17.9
115.03890	1.3
119.03396	4.9
125.02309	4.1
129.01865	0.8
131.03401	3.8
143.03374	2.1
149.04462	6.2
150.04703	0.5
151.03914	0.8
159.02867	2.6
161.04466	14.0
179.03294	0.7
179.05566	1.7
191.05583	2.1
193.04294	0.4
233.06619	2.6
243.06586	0.8
255.19608	1.2
271.02484	0.5
272.03061	0.9
283.02490	0.6
293.08755	1.3
293.79907	0.4
417.24954	24.9
418.25372	3.5
459.13055	0.5
474.28098	0.5
549.15680	2.7
549.29150	100.0
550.16791	0.8
550.29523	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	549.089
Annotation	6-Hydroxyluteolin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.13904	0.9
57.03318	2.3
58.36871	0.9
59.01277	1.9
70.85120	2.2
71.01257	2.1
73.02842	2.1
84.65497	0.9
88.62537	0.8
89.02302	2.1
96.20110	0.8
96.95890	1.0
99.00757	1.5
101.02322	42.9
109.02836	21.6
113.02396	1.2
122.35741	0.9
123.00818	0.9
125.02367	1.0
132.64069	0.9
145.01331	54.4
146.01628	1.4
197.04550	1.5
227.03436	3.7
255.02960	4.8
259.02695	1.3
271.02493	2.1
272.03232	1.8
273.04022	2.0
283.02475	100.0
284.02802	9.1
285.03864	1.2
301.03568	10.7
302.03787	1.2
313.03662	1.3
325.03510	1.8
331.04529	3.0
403.06668	53.1
404.07059	6.1
417.13828	1.9
421.07724	12.7
422.08228	1.3
549.09039	3.5
549.18201	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	549.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87113	0.7
59.01249	7.2
69.17068	8.6
71.01234	2.0
85.02812	1.8
89.02355	1.0
93.03331	1.4
101.02298	1.3
109.02828	1.4
110.34882	0.8
113.02313	1.2
116.70404	0.8
121.02836	15.4
128.03465	1.0
132.02094	1.3
132.85806	0.8
133.02852	27.8
135.04408	17.0
137.02333	2.3
161.02348	100.0
162.02708	5.4
163.00218	1.0
163.07561	4.2
164.80972	0.9
165.05486	31.6
166.05815	2.3
175.03802	0.8
177.05441	2.2
179.03403	9.1
203.03448	1.1
207.06606	1.5
221.04469	2.9
225.07634	17.9
255.02965	2.8
271.02509	5.1
283.02414	1.3
292.04913	0.8
300.02756	7.5
301.03546	4.0
323.07648	13.0
387.12988	9.0
388.13089	1.5
392.25543	1.3
471.12991	1.3
489.14139	2.5
505.09894	5.2
531.15314	7.4
532.15381	1.0
549.16174	65.7
550.16473	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	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	25.4
60.01590	0.4
61.98702	100.0
65.60425	0.4
69.68645	1.6
69.69058	0.9
71.01257	2.7
73.02817	2.5
75.00760	0.7
81.33457	0.4
83.01266	0.6
85.02798	0.4
88.00282	0.9
88.98689	1.4
89.02317	1.8
93.03333	0.5
95.32819	0.4
97.77820	0.4
101.02322	2.9
113.02295	2.1
119.03394	0.5
125.02409	0.4
127.54548	0.4
137.02373	1.4
143.03423	0.4
153.01898	0.5
160.04025	0.4
161.04480	1.1
167.25465	0.4
171.10225	0.5
258.96744	0.4
267.75519	0.4
271.02628	0.5
271.06430	0.4
350.65375	0.4
402.50320	0.4
507.28061	0.5
547.40833	0.4
548.27600	0.6
549.17419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15515	0.4
59.01250	18.5
60.01603	0.5
61.98704	100.0
70.21104	0.3
71.01254	7.6
72.01601	0.4
73.02821	6.4
78.95795	0.5
83.01259	2.9
85.02819	0.9
87.00780	0.7
89.02319	2.3
97.02843	0.4
98.73892	0.4
101.02322	11.4
102.02649	0.5
111.08085	0.6
112.08390	0.5
113.02332	3.8
119.03405	1.0
125.13386	0.4
128.03442	0.4
128.28773	0.4
131.03435	1.4
131.10016	0.4
137.46808	0.4
139.11200	0.6
143.03404	1.2
149.04501	1.4
161.04433	3.2
171.10210	0.8
197.11732	1.8
198.12111	2.5
199.12373	1.3
211.13377	1.1
212.13708	0.9
221.06703	0.5
253.09213	3.7
254.09698	2.2
255.09856	1.4
291.19785	0.7
292.20181	0.9
293.20660	0.6
294.21082	0.8
309.20761	1.6
310.21082	3.5
311.22165	7.6
312.22589	8.9
313.22870	0.5
548.30511	0.4
549.24188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98017	0.2
55.01760	0.6
57.03323	1.0
58.00478	0.3
59.01249	7.7
65.03820	0.4
69.03324	0.6
70.38790	0.6
71.01251	6.0
71.04883	0.4
72.99171	0.3
73.02833	0.9
75.00738	0.2
83.01258	0.7
83.04895	0.7
84.02013	0.3
85.02833	1.6
86.84293	0.2
87.00758	1.0
88.59361	0.2
89.02316	5.1
91.03884	0.2
95.01269	0.4
97.02821	1.5
97.06480	0.7
99.00763	0.4
99.08021	1.0
101.02320	6.0
109.06468	0.4
111.08036	0.5
113.02331	2.1
113.09598	1.4
117.18980	0.2
119.03381	1.3
121.10113	1.5
123.08078	0.3
125.02313	0.3
125.09619	1.3
127.07555	0.2
127.11190	0.6
131.03377	0.3
137.09622	0.4
139.11177	4.2
140.11606	0.2
141.12761	0.3
143.03406	0.7
151.11186	0.2
153.09171	0.2
153.12848	0.2
156.08531	0.2
161.04462	2.3
163.11201	0.8
165.12791	1.5
167.10727	0.6
167.14322	0.5
168.11452	0.3
169.12167	0.3
171.10185	14.6
172.10542	0.6
175.11188	0.5
179.05534	1.1
179.10617	0.2
181.08359	0.2
181.12357	0.4
183.13821	0.7
185.11739	1.0
193.12279	5.1
194.12688	0.3
195.13921	0.3
197.11766	0.9
199.13426	0.3
209.11787	1.1
211.13330	5.9
212.13805	0.3
227.12854	0.6
235.08066	0.4
249.22134	1.2
253.09262	27.0
254.09532	1.6
275.20163	0.4
291.19421	0.3
293.21219	16.4
294.21524	1.5
309.20621	0.6
310.21014	0.5
311.22256	100.0
312.22610	10.0
316.89151	0.2
547.30841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.1
61.98728	0.9
71.01254	3.4
71.51089	1.1
73.02807	1.3
85.02836	0.6
88.85257	0.6
89.02309	1.7
89.76445	0.6
101.02334	3.2
109.02808	0.7
113.02325	2.3
119.03350	0.8
161.04515	1.5
233.19125	0.7
235.08171	1.6
251.20134	100.0
252.20457	9.2
253.09268	13.4
254.09424	0.9
311.22003	1.1
323.86331	0.6
355.39230	0.6
360.76883	0.7
408.06635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.3
69.03310	0.4
71.01245	3.7
71.01649	0.6
73.02818	0.6
77.36019	0.3
83.01258	0.5
85.02823	1.1
87.00742	0.6
89.02308	4.2
97.02866	0.4
101.02325	6.1
113.02345	2.3
113.09612	0.6
115.07537	0.7
119.03379	0.7
125.44872	0.4
127.07548	0.4
128.08321	0.5
139.11163	0.8
149.04498	0.4
157.41409	0.3
161.04466	1.7
165.12701	0.5
167.14291	2.0
168.11363	0.4
171.10190	2.7
179.05524	0.7
183.13824	1.0
193.12325	1.6
195.13846	6.5
201.32747	0.4
209.11917	0.3
210.41205	0.4
211.13367	1.8
213.14922	0.7
213.61682	0.4
242.15279	0.8
249.22047	0.5
253.09256	18.0
254.09554	0.9
267.23297	0.7
267.34973	0.3
275.20081	0.4
293.21225	8.9
294.21518	1.3
310.61533	0.3
311.22269	100.0
312.22610	10.0
547.31207	3.0
548.31989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03310	0.4
59.01245	5.1
61.98700	0.5
69.19274	1.1
69.19699	1.0
71.01250	4.2
72.99169	0.3
73.02821	0.7
74.82212	0.2
74.95348	0.2
83.01260	0.4
85.02820	1.4
87.00750	0.6
89.02310	3.7
95.01247	0.3
97.02799	0.3
97.06462	0.3
101.02315	4.8
113.02338	1.7
113.09622	0.8
115.07527	0.9
119.03391	0.8
125.02332	0.3
127.07515	0.3
128.08331	0.5
131.03307	0.2
139.11234	0.3
143.03363	0.3
158.02452	0.2
161.04463	2.1
165.12801	0.2
167.14317	2.9
179.05540	0.7
183.13815	1.5
185.15379	0.3
195.13831	9.8
196.14186	0.7
211.13394	0.7
213.13118	0.3
213.14873	1.2
235.08167	0.4
241.14438	0.3
242.15134	0.8
249.22224	0.4
253.09253	16.6
254.09631	0.9
265.21634	0.6
267.23230	0.7
275.20123	0.5
279.07907	0.2
283.22623	0.5
284.46133	0.2
291.19757	0.3
293.21216	7.2
294.21472	0.9
309.20837	0.4
311.22253	100.0
312.22607	12.7
313.24008	0.3
457.27316	0.3
547.31293	3.7
548.31653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63753	0.6
57.03323	4.4
59.01254	4.2
61.98705	2.6
64.33599	0.5
68.99663	1.0
69.03323	1.0
69.38126	3.9
69.38547	1.0
71.01259	2.5
71.04895	1.2
72.99205	0.7
81.03332	18.8
83.01249	4.9
85.02826	1.6
87.00768	0.8
89.02346	1.8
93.03336	2.1
95.01264	1.2
95.04900	7.7
97.02838	6.2
99.00775	1.1
99.04396	12.9
101.02335	1.2
104.66268	0.5
107.04967	0.7
109.02864	1.3
111.00752	0.9
111.04410	3.9
111.08043	0.7
113.02314	2.1
116.16606	0.6
117.03342	7.4
118.17886	0.5
121.02840	0.7
123.04403	9.7
123.07979	0.7
124.01567	1.2
125.02335	64.3
126.02677	2.4
127.74448	0.6
135.04431	4.5
135.08044	3.7
137.02341	9.1
137.05951	1.3
137.09601	1.3
139.03922	5.0
143.04485	0.7
149.02356	1.3
149.04601	0.6
149.05971	0.6
149.09651	0.8
150.03207	0.8
151.03885	1.8
151.07489	0.8
153.09087	2.3
161.02333	2.8
163.03973	0.7
164.01085	0.6
165.01781	1.1
165.05461	1.2
167.03413	100.0
168.03749	5.6
177.09116	1.9
179.03442	3.9
179.07068	10.7
179.10596	1.1
180.07420	0.8
191.06960	3.0
193.01491	0.6
193.08612	3.1
197.04483	29.4
198.04788	1.1
203.07097	0.7
205.12201	1.4
209.04521	1.7
209.11896	0.6
218.05663	0.7
221.08139	21.7
222.08479	0.9
223.09715	1.8
232.26907	0.6
233.08092	1.7
235.02382	1.0
235.09732	1.1
251.09247	7.3
252.09714	0.9
265.10797	75.7
266.11142	6.0
269.06683	1.1
277.10730	1.1
295.11856	40.3
296.12271	4.0
307.11865	2.0
307.19379	0.6
325.12769	0.8
329.06635	1.9
333.09802	3.0
337.13046	1.1
359.07568	0.8
363.10803	1.1
367.13943	4.2
385.15140	8.5
427.13983	33.8
428.14459	5.1
439.13922	1.7
457.15103	10.9
458.15497	2.0
529.17078	1.9
547.18091	2.7
547.27454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01247	10.1
61.60645	0.5
61.98701	34.3
63.97691	0.5
70.91499	1.4
70.91873	0.6
71.01250	19.0
72.99174	2.0
73.02813	1.5
83.01250	5.2
85.02820	3.2
87.00746	34.2
92.26469	0.6
96.95863	3.5
98.95464	3.4
98.96281	0.9
99.00752	1.4
99.04433	0.6
101.02348	1.3
111.00758	6.8
112.98698	1.2
113.02308	2.0
115.00251	59.4
116.00600	1.3
122.06013	0.7
125.02324	0.6
127.00255	2.7
139.00269	15.7
140.00615	0.8
149.00055	0.6
150.15025	0.5
157.01326	26.3
171.52335	0.6
173.20618	0.6
175.02390	100.0
176.02707	3.8
191.50043	0.5
204.06410	0.5
241.14349	1.5
266.06927	0.7
267.11362	1.1
279.07544	0.7
280.08545	2.7
283.02460	2.1
295.10825	8.3
296.11380	0.8
297.12442	1.2
309.12360	1.5
323.10287	0.7
325.11880	1.9
327.04657	0.6
327.13544	3.4
339.09894	3.8
340.09991	0.9
343.97272	0.7
353.11453	2.3
371.12466	10.8
372.12701	1.0
390.80222	0.7
391.13052	1.6
397.10541	2.0
399.11829	0.8
401.13654	1.7
429.12961	5.6
431.14383	1.0
435.11899	1.9
443.14536	0.8
453.13156	0.9
467.14511	7.1
468.14719	0.7
485.15610	7.0
486.16156	1.4
486.55566	0.7
487.13495	3.2
499.13455	0.9
511.13562	0.9
529.14832	0.8
547.15704	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	546.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53762	0.2
59.01250	2.1
59.90583	0.2
61.98704	100.0
62.98419	0.2
67.01768	0.2
69.30717	0.8
69.31149	0.7
71.01257	3.4
72.01615	0.4
72.99189	0.4
73.02832	0.6
79.57063	0.2
83.01241	0.8
85.02839	0.8
87.00750	3.8
89.02328	0.4
96.95895	2.4
98.20617	0.4
98.95497	0.4
101.02333	0.9
102.02635	0.2
111.00795	0.9
113.02332	0.4
115.00264	5.1
119.03397	0.2
125.02430	0.3
139.00258	1.3
143.03452	0.2
143.07098	0.2
157.01335	2.9
161.04564	0.3
164.06422	0.2
175.02405	8.7
178.74869	0.2
188.10081	0.3
220.21265	0.2
241.14491	0.2
280.08560	0.3
295.10953	0.8
325.12402	0.2
327.04904	0.2
327.13565	0.5
328.05396	0.2
337.18719	0.2
339.10083	0.3
371.12643	1.1
382.28033	0.2
397.10602	0.3
401.13632	0.3
424.19611	0.6
425.19342	0.7
426.19482	1.6
429.13168	0.4
435.12122	0.2
448.09637	0.3
462.48920	0.2
467.14780	0.6
485.16122	0.7
487.13907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
57.03325	1.2
59.01263	4.3
71.01254	4.4
71.51704	1.0
85.02821	1.1
87.00754	4.0
89.02328	1.2
96.95917	1.7
99.04384	4.2
100.34722	0.8
101.02322	2.7
111.00761	1.0
113.02296	1.4
115.00257	7.7
128.03403	1.1
143.03352	1.1
157.01289	2.2
161.04483	1.4
175.02408	13.6
183.04478	1.2
211.03923	2.8
227.03418	6.0
238.02721	1.2
239.03445	1.7
243.02875	1.1
254.02011	1.1
255.02972	8.7
256.03363	1.4
259.02496	2.2
266.02133	1.0
271.02448	3.9
272.03232	2.5
282.01794	1.2
283.02484	100.0
284.02899	9.1
285.04034	3.0
295.10962	1.3
297.04013	1.3
298.01056	4.4
299.01859	1.0
301.03629	2.9
313.03497	2.9
325.03577	3.9
371.12225	1.1
403.06714	32.3
404.07040	3.4
421.07816	2.0
427.06580	3.9
547.10785	13.5
547.23962	1.4
548.11267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25957	0.5
57.03312	1.6
59.00957	0.8
59.01249	12.9
61.98689	2.0
67.01743	0.8
69.03316	0.9
69.54378	3.0
69.54788	1.1
71.01251	10.1
71.04877	2.4
72.99174	1.1
73.02805	2.5
80.58604	0.5
83.01239	0.7
83.04895	0.7
85.02840	3.8
87.00758	1.9
87.04380	1.1
89.02312	9.7
91.03861	0.9
95.01244	0.8
97.06451	1.5
97.12479	0.5
99.00747	0.8
99.04332	0.6
101.02320	11.9
111.08025	1.0
112.14142	0.5
113.02322	5.4
119.03403	2.4
121.10111	1.8
125.09605	3.3
143.03410	0.7
155.86700	0.6
161.04474	6.0
167.14272	1.1
171.10167	4.7
179.05513	1.7
181.12280	1.5
185.11749	3.6
195.13828	6.2
197.11708	1.4
207.13857	2.2
207.17484	3.5
209.11723	0.7
209.15442	0.9
211.13335	37.0
212.13667	2.5
221.15375	5.3
223.16988	19.2
224.17268	1.4
225.14839	1.2
233.15431	8.7
234.15820	0.8
235.08115	1.2
235.16911	2.1
247.20636	1.0
251.16501	57.3
252.16885	4.9
253.09258	48.0
254.09560	2.6
273.18704	3.9
291.19650	44.5
292.19977	5.0
309.20697	100.0
310.21042	11.6
487.25180	1.1
527.28607	0.9
545.29681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05654	0.7
57.03318	1.7
59.01252	16.5
61.98696	2.5
67.01774	0.8
69.03326	1.3
70.53918	2.5
71.01256	10.3
71.04890	1.1
72.99163	0.8
73.02816	2.5
83.01253	1.8
83.04894	1.9
85.02808	3.4
87.00723	1.0
87.04368	1.0
89.02313	10.4
97.02816	1.2
97.06432	2.0
99.04372	0.8
101.02329	11.2
111.07969	1.4
112.43406	0.9
113.02330	4.9
119.03379	3.7
121.10085	3.1
125.09614	3.9
133.04881	0.8
133.72223	0.8
143.03351	1.5
161.04448	5.3
167.14352	0.9
171.10205	8.7
179.05469	2.2
183.13757	1.0
185.11716	5.1
195.13863	6.3
197.11653	1.8
197.51138	0.8
207.13831	1.7
207.17465	3.7
211.13339	61.8
212.13660	3.0
221.15344	4.6
223.16974	13.1
224.17252	1.0
225.14752	0.8
229.19601	1.0
233.15427	10.0
235.08194	1.6
235.17070	1.2
247.20740	1.5
251.16501	56.4
252.16751	4.2
253.09261	55.4
254.09563	3.4
273.18594	4.5
274.18762	0.9
291.19672	71.5
292.19958	6.7
309.20703	100.0
310.21036	10.6
487.26083	1.1
527.28510	3.0
545.29395	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76694	0.4
55.01753	0.5
55.89244	0.5
57.03314	1.0
57.34695	0.4
59.01255	9.6
69.03316	0.6
70.85721	1.0
71.01249	6.2
72.99165	0.5
73.02809	1.0
76.60145	0.5
81.00732	0.4
83.01268	0.7
83.04883	0.5
85.02820	1.3
87.00737	0.9
89.02319	4.2
97.02833	1.1
97.06463	2.1
101.02325	5.7
104.17149	0.5
111.08058	0.7
113.02328	2.6
113.09605	1.7
115.07530	1.4
118.03572	0.5
119.03391	1.5
139.11189	0.5
141.09091	1.2
161.04454	2.1
165.12764	2.7
167.10760	0.7
167.14325	1.7
179.05554	0.7
181.12250	2.4
183.13826	1.0
193.12234	1.4
195.13824	1.5
211.13362	3.2
211.15099	0.6
218.16611	0.5
220.64601	0.5
221.15366	1.4
225.02875	0.5
240.13713	0.6
247.20659	2.9
253.09271	19.5
254.09552	1.1
263.20093	0.8
273.18539	2.2
281.21231	1.0
291.19681	31.3
292.20038	2.4
309.20715	100.0
310.21030	9.4
311.22192	0.7
545.29675	9.8
546.29980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03325	1.6
57.61591	0.2
58.00465	0.7
59.01249	11.3
59.17689	0.2
69.03328	0.8
69.18445	1.0
69.18864	1.4
71.01253	9.7
71.04893	0.4
72.01581	0.2
72.99174	0.9
73.02818	1.8
75.00108	0.3
80.02551	0.5
81.03342	1.5
82.10230	0.3
83.01263	2.8
83.04874	1.7
84.02100	0.3
85.02820	2.5
87.00751	1.9
89.02315	8.8
91.03883	0.3
93.03351	0.3
95.01271	0.8
95.04906	0.9
97.02832	1.0
97.06479	1.4
98.03618	0.6
99.00768	0.6
99.08027	1.3
101.02320	9.8
105.87438	0.3
106.04138	0.3
109.06462	0.5
111.08038	0.7
113.02335	4.6
113.09602	0.8
119.03398	2.3
123.04386	1.3
123.08092	1.2
125.02335	0.2
125.06008	1.3
125.09605	2.7
127.11179	0.7
131.03380	0.4
135.08049	0.7
137.09601	1.1
139.11197	2.3
141.09122	0.7
142.02594	0.4
143.03389	1.0
145.05048	0.3
147.11655	0.3
149.09547	0.3
151.11185	2.1
153.12686	0.3
154.75182	0.3
158.56010	0.3
161.04457	4.4
161.09642	0.4
162.04874	0.3
162.10384	0.4
163.11203	2.4
165.09149	0.4
165.12764	8.8
166.13057	0.5
167.10699	2.2
167.14334	0.4
168.11418	0.7
171.10155	1.4
177.12700	0.5
179.05547	1.6
179.10732	0.7
179.14362	0.7
181.12282	2.9
183.13803	1.2
185.11682	0.4
191.10582	1.2
193.12228	0.9
193.14214	0.4
193.15933	2.6
195.10149	0.5
197.11772	0.7
207.10187	0.7
209.11775	27.0
210.12091	1.6
211.13292	1.1
219.17430	0.4
227.12863	1.1
229.19492	0.3
235.08191	1.1
247.20647	7.6
248.21066	0.8
253.09261	30.4
254.09619	1.9
263.20087	0.3
265.21716	19.9
266.22058	1.8
273.18622	2.7
281.21201	0.7
283.22830	1.4
287.77814	0.3
291.19656	56.6
292.16916	0.3
292.20016	5.8
307.19043	0.4
309.20703	100.0
310.21051	11.4
311.22290	0.3
313.89120	0.2
327.21655	0.4
445.20697	1.0
474.31848	0.3
527.28473	0.4
545.29620	14.7
546.30096	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09950	0.5
55.01752	0.8
57.03335	0.7
58.00457	0.9
58.99965	0.5
59.01251	15.5
69.03327	0.9
69.94400	2.0
71.01251	10.8
72.99203	0.6
73.02829	2.6
83.01257	1.5
83.04857	0.5
85.02826	4.1
87.00746	1.8
89.02309	10.3
95.01260	1.1
97.02831	3.9
97.06478	0.8
98.19905	0.6
99.00764	0.8
101.01698	1.0
101.02322	11.3
111.08015	1.4
113.02338	5.1
119.03354	2.4
119.54095	0.5
137.09604	1.9
141.09161	0.5
161.04454	4.0
165.12683	1.2
171.10118	3.3
179.05489	1.4
181.12250	0.9
195.13914	0.7
197.11754	2.5
209.11838	1.0
211.13301	1.7
218.78961	0.5
227.13120	0.6
235.08154	0.6
247.20761	3.1
253.09258	22.8
254.09489	1.5
265.21710	100.0
266.22025	8.5
273.18640	1.2
291.19662	13.4
292.20007	1.5
293.21085	0.6
309.20697	46.5
310.21045	3.8
465.56970	0.6
527.28595	0.7
545.29657	93.2
546.29987	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10857	0.6
51.72057	0.6
55.01758	1.0
59.01254	14.7
61.98703	1.0
71.01253	11.4
71.32194	1.4
72.99161	0.9
73.02825	3.0
79.33234	0.6
83.01281	0.9
83.74619	0.7
85.02831	3.5
87.00767	1.5
89.02325	9.8
89.54362	0.6
95.01287	0.9
97.02826	3.6
101.02329	10.1
109.94408	0.8
111.08051	0.8
113.02340	5.7
119.03395	2.6
124.47781	0.6
137.09662	1.2
161.04462	4.2
165.00865	0.6
171.10193	2.6
181.12244	0.8
195.13817	0.9
197.11804	2.5
200.95107	0.7
209.11742	0.8
211.13306	2.2
235.08218	1.1
247.20667	3.8
253.09276	19.8
254.09639	0.7
265.21722	100.0
266.22058	10.6
291.19696	13.7
292.19998	1.3
305.12170	0.7
309.20706	39.8
310.21100	3.6
527.28320	0.8
545.29681	94.6
546.30042	14.4
559.14264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03311	1.6
59.01251	43.3
60.01591	0.7
69.03306	0.6
69.53430	2.6
71.01254	7.6
73.02811	1.2
80.02547	0.7
81.03323	1.7
83.04896	1.0
85.02807	2.0
87.00748	1.2
88.32851	0.4
88.97507	0.4
89.02315	6.9
89.64287	0.4
95.01207	0.6
95.04920	0.6
96.58411	0.4
97.02835	2.1
97.06467	1.1
97.44778	0.4
98.20588	0.5
99.00723	0.5
101.02327	6.6
101.11234	0.4
106.04111	1.0
109.06462	1.2
110.03627	0.5
113.02335	3.1
119.03391	1.7
121.02824	0.8
121.06475	1.1
123.04383	2.6
123.08009	0.7
125.02330	0.5
125.05970	0.6
125.09606	3.6
133.14474	0.4
135.08029	0.7
137.05998	0.5
137.09674	3.0
141.12744	1.0
142.02611	0.5
150.10448	0.6
151.11177	0.5
161.04413	2.7
161.09636	1.0
163.07536	0.6
163.11189	7.3
163.50133	0.4
165.09103	0.5
165.12747	0.6
169.37114	0.4
171.10143	0.9
177.12790	0.5
179.05510	0.9
179.10570	0.6
181.12230	1.2
185.11781	6.2
186.12036	0.5
191.14360	8.7
192.14789	0.8
195.48233	0.4
202.13560	0.5
203.14265	0.5
207.10190	5.2
207.50406	0.5
208.10599	0.6
209.11728	0.5
217.16023	1.4
225.11255	4.8
226.11736	0.5
243.12361	0.6
243.17607	0.5
245.19084	14.1
246.19492	1.4
253.09270	26.9
254.09698	1.1
271.17053	2.5
289.18091	100.0
290.18433	11.9
307.19141	44.5
308.19489	5.0
388.50317	0.5
525.26837	0.9
543.27557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.3
57.03307	0.5
58.00468	0.3
59.01250	8.0
63.54553	0.2
69.03320	0.3
69.53493	1.2
71.01250	5.2
71.04897	2.3
72.99184	0.4
73.02824	0.8
75.00723	0.2
80.02541	0.7
81.03338	1.1
83.01266	0.5
83.04910	0.9
85.02827	1.3
87.00755	0.7
89.02316	4.7
90.23481	0.2
93.03326	0.2
94.86010	0.2
95.01261	0.5
95.04886	1.0
97.06488	0.4
98.03597	0.6
101.02326	5.4
106.04128	0.8
107.04910	0.2
109.02827	0.3
109.06476	8.5
110.06799	0.3
111.04407	3.2
111.08025	0.9
111.34888	0.2
113.02325	2.5
116.61245	0.2
119.03385	0.9
120.05727	0.3
121.06472	0.5
123.08041	1.4
123.67558	0.2
125.02325	0.3
125.09554	0.2
127.07529	1.4
129.09085	0.2
131.03346	0.2
131.04893	0.2
133.04967	0.2
135.08076	0.4
137.05974	0.3
137.09625	1.0
141.09134	0.2
143.03403	0.5
143.10684	0.9
145.06509	1.5
149.05968	0.3
149.09615	1.1
151.11169	0.5
153.09045	0.2
155.10645	0.2
157.04935	0.2
161.04460	2.0
163.11168	0.2
167.10710	1.8
177.09102	0.2
177.12721	0.7
179.05513	0.6
179.10718	0.9
181.12234	0.5
191.14349	0.5
195.13823	3.4
196.14142	0.3
215.14491	0.3
229.16039	0.3
235.08127	0.4
235.13377	0.7
243.17621	0.3
245.19078	3.7
246.19408	0.5
249.14908	0.2
251.16539	0.5
253.09265	17.6
254.09636	1.1
261.18506	0.3
263.20227	0.2
271.16949	1.1
273.14972	0.6
287.16422	1.2
289.18091	100.0
290.18451	11.0
307.19128	6.3
307.21985	0.1
308.19403	0.7
346.48904	0.2
476.70361	0.2
525.27191	0.5
543.28595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64084	0.3
53.10922	0.3
53.43078	0.3
55.01758	0.6
57.03322	5.3
58.00477	0.9
59.01250	19.8
61.98703	0.4
67.01749	0.4
69.03324	1.5
69.18733	1.1
69.19154	1.8
71.01253	18.8
71.04877	0.8
72.99181	1.6
73.02812	2.4
78.95752	0.3
80.02540	0.9
81.03329	1.3
83.01266	1.6
83.04892	2.7
85.02827	4.0
87.00764	2.4
89.02319	12.8
91.03873	0.6
93.03350	0.3
93.06982	0.7
95.01266	1.4
95.04902	1.8
97.02814	1.5
97.06473	10.6
98.06756	0.3
99.00758	1.0
101.02323	13.9
101.05939	0.4
105.24583	0.3
106.04110	0.5
107.04908	0.8
107.08554	0.6
109.02823	1.1
109.06486	2.2
110.06792	0.3
111.00727	0.7
111.04415	0.5
111.08050	4.9
112.01598	0.4
113.02340	6.7
119.03402	2.9
119.04911	0.6
121.06515	0.7
122.03626	0.4
123.04389	1.3
123.08031	1.4
125.02348	0.6
125.09615	2.5
126.92417	0.4
127.07471	0.4
127.11203	0.7
131.03416	0.7
133.04985	0.7
134.03590	0.4
135.08044	0.6
137.02321	0.9
137.05992	1.0
137.09612	1.5
138.06801	0.6
139.07635	0.4
141.09108	0.8
143.03413	2.0
145.10106	0.6
147.08052	0.4
147.11737	0.4
149.04482	0.6
149.09633	1.7
151.07542	0.4
151.11188	11.1
152.11552	0.6
153.09137	1.9
153.12767	2.3
155.10689	4.2
157.12277	0.4
161.04485	4.9
161.09653	0.8
163.11180	3.7
165.09036	0.4
165.12773	16.7
166.09909	0.4
166.13109	0.8
167.10686	2.7
168.11356	0.4
169.12262	2.5
173.09686	0.7
173.13179	0.4
174.01640	1.1
175.11151	0.5
177.09094	0.6
177.12770	2.1
179.05565	2.1
179.10684	4.5
181.12268	13.0
182.12556	0.8
183.13853	3.5
191.10721	7.3
191.14337	3.8
192.11058	0.4
192.14636	0.3
195.10211	1.0
197.11743	1.1
205.12268	2.4
209.11774	47.0
210.12093	3.5
211.13306	5.1
217.15919	0.8
219.13832	0.6
223.13440	0.4
224.10452	0.9
225.11292	0.8
226.12000	0.5
227.12848	13.9
227.17967	0.5
228.13225	1.1
235.08209	2.3
235.20563	0.8
239.09195	1.9
245.19086	14.4
245.47934	0.4
246.19456	2.0
247.17090	0.4
251.20143	0.8
253.09254	35.9
254.09601	2.3
261.18549	1.3
263.20160	20.5
264.20468	2.3
271.16998	2.4
279.19617	3.2
280.20004	0.4
289.18109	31.3
290.18436	3.6
301.16553	0.9
307.19150	100.0
308.15955	0.8
308.19492	11.5
367.19141	0.4
420.24438	0.4
445.14822	0.7
445.20816	10.9
445.26941	0.6
446.21164	1.2
460.19427	3.5
461.19678	0.4
474.20963	0.5
525.27313	0.5
543.07385	0.3
543.28076	11.1
544.28125	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56435	0.2
55.01749	0.9
55.22394	0.2
57.03324	2.3
58.00459	0.6
59.01252	16.7
60.99204	0.2
67.01759	0.4
67.05392	0.3
69.03322	1.0
69.22177	2.2
71.01255	12.3
71.04878	0.2
72.01581	0.2
72.99186	0.7
73.02818	2.5
75.00747	0.3
80.02550	0.7
81.03339	2.3
82.03687	0.2
83.01258	2.9
83.04897	1.8
84.02041	0.2
85.02826	3.2
87.00751	1.6
89.02317	10.4
91.03895	0.5
93.03313	0.3
95.01268	1.3
95.04903	1.8
97.02834	2.5
97.05880	0.3
97.06475	6.2
99.00785	1.0
99.04333	0.3
101.02322	12.9
106.04115	0.7
107.04906	0.8
109.02842	0.4
109.06491	1.1
110.03622	0.9
111.04419	0.7
111.08023	0.4
113.02332	6.1
113.05955	0.5
115.07540	0.4
119.03396	2.7
119.08559	1.2
121.06485	1.7
121.10126	0.3
123.04410	3.0
123.08057	1.8
125.02360	0.5
125.05965	0.7
125.09623	5.7
126.09991	0.3
127.07514	0.3
129.01802	0.3
131.03419	0.4
131.04890	0.3
133.04984	0.4
133.06435	0.3
135.08063	1.3
136.05244	0.3
137.06000	0.3
137.09618	3.6
139.07553	0.3
139.11159	0.3
141.09116	0.5
141.12799	1.0
142.02644	0.4
143.03400	1.4
147.11797	0.3
149.04579	0.2
149.05946	1.0
149.09616	0.2
150.10399	0.3
151.07761	0.3
151.11205	0.6
153.12770	0.2
159.07959	0.2
160.08862	0.2
161.04477	5.4
161.09615	0.5
162.10403	0.6
163.07541	0.7
163.09828	0.4
163.11201	8.2
164.08354	0.3
164.11554	0.6
165.09096	0.8
165.12743	2.0
166.09882	0.3
167.10669	0.5
171.10181	0.8
173.09718	0.5
174.01633	0.6
175.11221	0.9
177.12726	0.8
179.05524	1.9
179.10690	1.0
181.12267	1.8
183.13768	0.2
185.11760	8.0
186.12103	0.4
187.06041	0.3
189.12788	0.6
191.10698	0.8
191.14349	10.5
192.14696	0.8
193.12279	1.1
195.10185	0.4
197.11711	0.4
202.13620	0.4
203.14307	0.4
207.10223	3.7
207.13737	0.4
208.10588	0.4
209.11780	19.5
210.12140	1.2
211.13329	2.0
213.09119	0.2
215.14362	0.3
217.15918	1.5
219.10226	0.3
219.13808	0.3
221.11816	0.3
225.11288	4.0
226.11873	0.8
227.18011	0.6
229.15971	0.2
235.08276	1.1
237.11295	12.5
238.11714	1.4
239.63979	0.2
243.17552	0.4
245.19099	18.4
246.19429	2.4
247.17133	0.4
251.12932	0.3
253.09276	40.8
254.09644	2.6
261.18707	0.4
263.20169	6.5
264.20447	0.6
271.16992	2.8
272.17328	0.4
281.21246	1.2
287.16507	0.5
289.18097	92.7
290.18439	11.2
307.19147	100.0
308.19504	11.6
309.20700	0.5
325.20044	0.6
380.34180	0.3
445.20837	0.6
525.26959	0.9
543.28149	4.2
544.28485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03323	2.0
58.00458	0.8
59.01249	17.2
60.01583	0.5
67.05396	0.6
69.03315	1.4
69.80824	1.3
71.01255	11.0
71.04856	0.5
72.99178	0.7
73.02818	1.8
80.02541	0.9
81.03340	2.0
83.01262	1.9
83.04885	1.0
85.02818	3.2
87.00748	2.1
89.02317	10.3
95.01241	1.2
95.04901	1.9
97.02830	2.7
97.06480	4.7
97.77888	0.3
99.00774	0.7
99.04362	0.4
101.02322	10.8
102.27667	0.4
106.04155	0.8
107.04897	0.4
109.02859	0.4
109.06522	2.5
110.03584	0.9
111.04382	1.2
111.08070	0.5
113.02342	5.4
113.09566	0.4
119.03382	2.9
119.08575	0.9
121.06472	1.9
123.04399	3.3
123.08042	1.7
125.05967	0.8
125.09621	4.9
127.07551	0.7
131.04901	0.4
135.08040	1.0
137.05981	0.7
137.09633	3.0
138.09874	0.4
138.47304	0.4
139.91180	0.4
141.12746	1.0
143.03391	0.9
145.06419	0.5
149.04381	0.5
149.05986	0.9
149.09529	0.6
151.11139	0.8
154.51422	0.4
160.08891	0.5
161.04475	5.2
161.09656	0.7
163.07512	0.7
163.11214	8.4
164.11516	0.5
165.09137	0.7
165.12750	1.7
166.09778	0.5
167.10692	0.8
171.10109	0.6
175.11159	0.7
177.12843	0.9
179.05528	1.8
179.10727	1.2
181.12245	1.8
183.13797	1.1
185.11787	6.5
189.12848	0.5
191.10689	0.6
191.14343	10.3
192.14685	0.7
193.12276	0.7
203.14235	0.5
207.10216	3.6
207.13911	0.4
209.11771	12.5
210.12135	0.8
211.13344	3.1
212.13678	0.4
217.15883	1.2
219.10165	0.4
225.11243	4.0
227.18111	0.6
235.08220	0.8
237.11307	9.4
238.11691	0.7
245.19090	19.2
245.21660	0.9
246.19365	1.8
247.16936	0.4
253.09270	39.6
254.09529	2.6
261.18390	0.6
263.20120	2.9
271.17017	3.5
289.18094	100.0
290.18433	11.4
291.19757	0.6
307.19147	92.5
308.19498	10.5
325.19736	0.5
331.43140	0.4
525.27118	0.5
530.22455	0.4
543.27960	3.9
544.28088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
55.72776	0.2
57.03325	2.1
58.00474	0.7
59.01246	14.6
67.05384	0.3
67.53730	0.3
69.03319	1.0
70.39552	0.7
71.01251	10.7
71.04898	0.3
72.99167	1.0
73.02808	1.9
80.02551	0.7
81.03321	1.6
82.07202	0.3
83.01254	2.6
83.04897	1.3
85.02819	3.5
87.00742	1.7
89.02313	9.9
90.51840	0.3
91.03885	0.6
95.01263	1.0
95.04894	1.5
97.02831	2.2
97.06469	6.1
99.00745	0.8
101.02324	11.0
106.04115	0.4
107.04894	0.4
109.02810	0.4
109.06468	1.2
110.03595	0.9
111.04385	0.5
112.98720	0.5
113.02328	5.9
113.05970	0.5
119.03397	2.8
119.04839	0.4
119.08553	1.6
120.05660	0.3
121.06500	1.6
121.10130	0.3
123.04391	3.2
123.08051	1.2
125.02348	0.5
125.05988	0.6
125.09616	5.1
126.09948	0.3
127.07602	0.4
131.03429	0.3
133.04988	0.5
135.08051	0.9
136.05255	0.4
137.05943	0.7
137.09607	3.3
139.14027	0.3
141.09093	0.5
141.12727	0.8
142.02623	0.5
143.03413	0.9
145.04842	0.3
147.08078	0.4
148.08815	0.3
149.04369	0.3
149.05984	0.5
149.09662	0.4
150.10309	0.3
151.11154	0.8
160.08855	0.3
161.04460	4.5
161.09558	0.4
162.10411	1.0
163.07561	0.5
163.11195	6.7
164.11551	0.5
165.09099	0.5
165.12782	2.4
167.10762	0.7
171.10156	0.6
173.09633	0.5
174.01613	3.7
175.02364	0.5
175.11247	0.8
177.09126	0.3
177.12802	0.8
179.05525	1.9
179.10730	0.8
181.12256	1.7
183.13818	0.3
185.11742	6.7
189.12782	0.6
191.10690	0.7
191.14330	8.9
192.14684	0.9
193.12251	0.9
195.10181	0.3
202.13632	0.5
207.10210	3.5
208.10495	0.4
209.11771	17.5
210.12119	0.9
211.13326	1.8
217.15871	0.8
219.10127	0.4
225.11200	2.8
226.11937	0.6
227.12758	0.5
227.18024	0.4
229.15962	0.4
235.08188	0.9
237.11284	13.1
238.11652	0.9
243.17409	0.4
245.19063	17.1
246.19406	1.8
247.16916	0.4
253.09261	40.2
254.09618	2.7
259.13602	0.3
261.18552	0.4
263.20129	6.3
264.20361	0.6
265.18106	0.3
271.17041	2.3
272.17355	0.4
281.21265	1.0
287.16632	0.5
289.18082	81.6
290.18430	9.3
291.19427	0.4
307.19131	100.0
308.19464	12.0
309.20810	0.3
325.20282	0.5
396.86237	0.3
445.20953	0.3
474.86917	0.3
525.27148	0.6
543.28040	4.7
544.28333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29107	0.6
61.98689	1.8
65.00172	0.7
65.08489	0.6
69.43352	4.1
70.36534	0.6
93.03355	0.9
96.95914	0.7
103.01759	4.1
107.01283	0.7
109.02836	47.9
110.03203	1.5
117.39985	0.6
119.01280	0.7
121.02870	0.8
125.02358	0.7
131.01283	25.1
131.02280	1.2
132.01607	0.8
137.02309	2.4
145.02812	0.9
145.80231	0.6
147.00780	0.7
149.02350	8.2
151.00301	0.7
165.01891	0.9
173.02313	1.5
175.00288	48.3
176.00641	2.9
189.01839	1.5
193.01360	16.4
194.01709	1.0
217.01407	4.9
223.02225	0.7
283.02499	1.1
284.02844	1.7
285.04047	100.0
286.04352	8.0
303.05005	1.5
305.04285	0.8
327.05096	12.6
328.05585	0.8
333.06073	0.9
405.08188	4.7
533.63440	0.7
543.17664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.9
59.01254	22.4
61.98705	19.6
65.88964	1.3
66.20808	1.4
70.43211	4.0
70.43562	1.5
71.01260	18.5
72.99198	2.8
73.02835	10.1
74.02358	3.0
75.00787	1.6
79.95592	1.7
80.96394	14.4
83.01264	3.2
85.02818	5.4
86.23450	1.5
89.02307	7.1
93.03345	8.5
94.03705	1.6
94.97948	3.2
95.01313	1.5
96.95862	2.4
99.00768	7.8
101.02354	8.7
102.05505	1.4
109.02850	5.2
113.02335	7.5
125.02338	2.6
128.03429	3.2
137.02330	7.6
138.02681	2.0
141.99893	1.3
143.03392	2.3
143.04477	2.6
148.05209	84.0
149.05609	6.0
151.03912	1.7
161.04419	4.9
163.07561	100.0
164.07944	6.7
164.98589	1.9
174.97215	2.5
183.04408	1.7
209.11836	3.5
211.03944	1.5
225.00620	4.3
227.03400	4.3
228.03755	1.7
229.04144	1.8
255.03012	5.3
256.03156	2.6
257.03540	2.8
283.02478	43.7
284.00494	1.0
284.02802	37.0
285.03015	46.7
286.03232	2.0
289.18027	2.8
301.03568	2.2
302.03879	1.7
307.19095	2.7
327.04230	2.1
403.06708	9.3
404.07034	12.8
405.07257	27.6
406.07339	2.6
421.07782	2.0
452.18268	1.6
457.17300	16.2
499.18228	28.0
500.18887	2.4
501.92966	1.6
543.10181	2.8
543.20844	20.1
543.70557	1.7
544.21527	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	542.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46455	0.8
61.98699	2.3
65.00204	1.2
70.83390	0.7
71.51890	1.0
78.95778	6.1
85.02777	0.7
85.35741	0.7
93.03347	0.8
94.03548	0.8
95.01273	1.7
96.96822	2.4
103.52446	0.7
103.88469	0.9
107.01206	0.9
109.02838	12.9
111.00745	1.7
113.02246	0.8
121.26094	0.8
122.02373	7.0
123.00796	6.1
125.02322	0.9
133.02843	0.7
137.02347	2.8
146.36359	0.7
148.01520	1.0
149.02339	11.1
151.00322	1.8
155.04861	0.8
157.02930	1.1
161.02341	1.8
163.00261	4.6
169.02863	0.9
169.24309	0.8
171.04439	1.5
174.03156	0.8
175.00327	4.5
178.72156	0.7
183.04437	2.8
185.02324	1.9
187.03918	2.0
189.01808	1.4
190.02667	0.8
190.99977	0.8
193.01273	1.1
199.03915	3.3
201.01865	2.4
202.99803	0.8
203.52950	0.8
205.01387	0.8
211.03893	2.2
213.01909	1.3
215.03406	2.8
227.03458	13.0
228.03729	2.1
229.01491	3.7
229.23128	0.8
231.02953	2.3
239.03438	1.1
240.03793	1.0
243.02980	5.4
245.00911	3.1
253.01393	12.1
254.02094	1.3
255.02975	20.7
256.03387	3.3
257.00876	3.6
258.01660	1.3
259.02478	1.8
267.02914	0.9
269.00943	1.6
270.01495	2.0
271.02466	13.9
272.02884	3.0
273.00397	4.6
273.03851	1.9
274.01181	31.1
275.01801	6.5
281.00861	7.3
282.01648	1.6
283.02478	27.2
283.05621	1.5
284.02817	29.9
285.03543	2.8
287.01978	2.2
288.02643	1.5
295.02670	1.5
296.03024	1.1
297.03882	1.8
298.01083	1.9
299.01944	100.0
300.02335	11.6
301.03473	4.0
302.03949	3.8
313.03439	1.7
325.03479	1.7
326.03720	1.3
329.02991	2.2
332.04883	2.1
335.06650	0.7
341.02908	6.8
341.06735	1.0
357.08957	2.9
401.05270	1.5
403.06653	4.8
404.07132	9.1
405.07132	1.2
419.06149	58.4
420.06567	5.7
422.07162	2.7
542.09607	21.7
542.18011	1.5
543.09711	3.3
543.17920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96424	0.8
56.67796	0.9
59.01252	1.7
61.81593	0.9
61.98696	3.3
69.53587	5.8
71.51036	0.8
91.01794	1.1
93.03351	1.5
95.01272	2.2
105.03218	0.8
108.02074	4.1
109.02847	13.7
111.00751	2.2
121.02868	7.6
123.00783	5.2
125.02367	1.8
131.01314	0.8
133.02789	0.9
135.04459	0.9
136.98700	1.0
137.02324	2.6
143.04849	1.5
149.02342	8.7
151.00244	1.9
152.01074	5.7
153.01825	1.9
157.02847	1.1
161.02412	1.2
163.00258	4.1
167.90416	1.0
171.04427	1.8
175.00304	3.7
183.04433	2.1
185.02386	2.1
187.03981	1.4
189.01814	0.9
193.04980	1.1
198.03081	1.0
199.03922	4.8
201.01891	2.6
202.02348	0.8
211.03918	3.4
213.01855	2.0
215.03461	2.6
225.01884	1.0
226.02737	0.8
227.03441	14.5
228.03880	1.1
229.01352	2.5
230.02048	1.2
231.02878	1.3
238.02711	1.1
242.02109	1.4
242.04393	0.9
243.02974	4.8
245.00883	1.8
253.01395	12.8
254.01987	2.8
255.02934	20.5
256.03290	2.3
257.00830	1.9
258.01593	2.6
259.02353	2.5
269.00934	1.1
270.01572	1.5
271.02490	14.1
272.02966	2.9
273.00412	3.0
273.03897	1.1
274.01208	30.1
274.04211	1.5
275.01770	6.1
281.00903	6.2
282.01566	2.4
283.02448	42.8
284.02869	3.8
285.03967	1.5
286.01151	0.9
287.02020	2.4
288.02493	2.0
295.02380	1.1
297.03992	1.7
298.00986	2.3
299.01950	100.0
300.02286	8.7
301.03445	5.7
305.17630	1.2
313.03473	3.1
325.03506	2.4
329.02902	1.6
331.04568	2.1
341.02930	7.9
342.03323	1.4
393.06216	1.0
401.05219	1.2
403.06656	9.5
404.06671	1.4
408.36292	0.9
419.06161	54.6
420.06845	5.9
421.05606	5.6
541.09882	31.7
541.19092	5.0
542.10339	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	541.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
61.98702	4.6
70.53522	0.3
70.53908	0.2
70.70065	0.1
77.85605	0.1
93.03336	7.5
94.03671	0.2
108.01987	0.1
109.02822	0.3
137.02344	8.8
138.02660	0.4
143.04967	0.2
148.01524	0.3
149.02246	0.1
152.01089	0.2
155.04912	0.5
157.02766	0.2
159.04414	0.2
167.04903	0.2
171.04370	0.3
175.00262	0.5
182.03699	0.2
183.04440	2.1
184.04764	0.1
185.02348	0.4
187.03918	0.3
195.04378	0.1
198.03098	0.2
199.03914	0.8
209.02426	0.3
211.03949	3.1
211.13362	0.2
212.04202	0.2
213.01869	0.3
213.05452	0.2
215.03412	0.2
226.02588	0.5
227.03450	5.9
228.03784	0.5
229.01271	0.2
233.72859	0.1
237.01880	0.6
238.02673	1.1
239.03468	1.5
242.02136	0.2
243.03014	0.3
253.01491	0.3
254.02135	1.1
255.02969	9.5
256.03400	0.7
258.01785	0.7
259.02478	0.8
265.01468	0.2
266.02203	1.1
267.03018	0.6
269.04404	0.2
271.02515	1.3
272.03262	1.2
273.03757	0.3
281.01111	0.2
281.04446	0.3
282.01721	0.7
283.02469	100.0
284.02808	9.5
285.04007	1.2
292.56265	0.1
295.02448	0.2
296.03201	0.4
297.04001	0.7
298.01089	0.5
299.02084	0.3
300.02744	0.2
301.03525	1.6
311.02017	0.2
313.03531	0.7
315.04849	0.1
325.03510	2.2
326.03674	0.3
331.04578	0.6
385.05646	0.2
403.06696	41.7
404.07040	5.8
419.06442	0.1
421.07657	0.8
422.07101	0.2
541.09961	2.9
541.18451	0.2
542.10278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0987
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
55.01227	0.3
66.63438	0.2
69.11333	0.2
70.80688	0.6
76.68526	0.2
93.03345	2.7
93.23563	0.2
109.02813	0.7
131.01285	0.3
137.02345	4.3
148.01570	0.4
151.00258	0.4
155.04916	0.4
167.04929	0.4
171.04436	0.6
173.59036	0.2
175.00314	0.4
183.04422	3.2
184.04846	0.3
185.02374	0.3
187.03969	0.3
195.04410	0.3
199.03914	1.2
209.02441	0.3
210.03191	0.4
211.03937	3.7
212.04214	0.4
213.01901	0.5
215.03412	0.6
217.01393	0.3
226.02655	0.5
227.03462	7.4
228.03833	0.7
229.04971	0.7
237.02039	0.6
238.02583	1.6
239.03477	1.8
243.02782	0.4
245.04634	0.2
254.02119	1.5
255.02985	10.9
256.03336	0.7
258.01724	1.2
259.02460	2.3
265.01538	0.5
266.02222	0.8
267.03015	1.4
268.03680	0.5
269.04651	0.4
271.02457	2.9
272.03149	1.5
273.04013	4.1
274.04379	0.5
281.04404	0.4
282.01743	1.1
283.02469	100.0
284.02832	10.5
285.04031	2.1
295.02463	0.5
296.03320	1.1
297.03848	1.8
298.01331	0.4
299.01883	0.4
301.03519	10.5
302.03860	1.2
313.03543	1.6
318.63223	0.2
325.03531	3.9
326.03674	0.3
331.04547	5.1
331.08206	0.4
332.04858	0.7
346.92947	0.2
355.04605	0.4
367.18814	0.2
403.06680	30.9
404.07043	4.1
421.07581	7.7
422.08255	1.8
541.09924	15.3
542.10242	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	540.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82473	0.1
54.38284	0.1
59.01251	0.4
61.98703	100.0
62.98410	0.1
70.85320	0.2
70.85653	0.2
71.01268	0.2
89.02312	0.2
93.03328	0.2
101.02339	0.2
106.08321	0.1
108.02068	0.7
109.02844	0.4
113.02287	0.1
118.96465	0.1
119.15766	0.1
135.04572	0.1
137.02345	0.2
150.30864	0.1
152.01050	0.6
153.01903	0.2
170.99120	0.1
175.00316	0.2
223.25533	0.1
224.44281	0.1
227.03554	0.3
247.12823	0.1
255.03056	0.4
269.01163	0.1
270.01474	0.1
271.02603	0.1
273.04013	0.2
274.01175	0.3
282.01788	0.1
283.02466	3.1
298.01199	0.2
299.01956	1.0
301.03738	0.3
331.04807	0.2
403.06729	0.9
419.06409	0.4
421.07330	0.2
480.24469	0.2
541.10223	0.6
541.19635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
60.99181	0.2
61.98689	0.4
69.17355	2.3
72.54522	0.2
85.02818	0.2
86.63181	0.2
87.00736	0.9
88.00273	1.3
88.98679	1.9
92.04905	0.2
93.03336	0.6
98.12579	0.2
101.02381	0.2
104.11325	0.2
105.85160	0.2
109.02802	0.6
123.00779	0.3
131.01306	0.2
136.03961	0.4
137.02386	1.0
155.04945	0.4
157.02809	0.3
159.04411	0.2
167.04958	0.2
171.04417	0.6
173.06059	0.2
175.00272	0.7
182.03612	0.2
183.04463	3.1
185.02341	0.6
187.03870	0.5
198.03098	0.3
199.03932	1.4
200.04240	0.2
209.02438	0.5
211.03928	3.6
213.01907	0.4
215.03352	0.5
215.85957	0.2
226.02638	0.5
227.03447	7.8
228.03886	0.5
229.05008	0.3
237.01848	0.6
238.02771	1.3
239.03487	1.6
241.05009	0.3
243.03032	0.4
253.01447	0.4
254.02173	1.4
255.02957	10.0
256.03491	0.4
258.01685	1.5
259.02438	1.7
265.01605	0.3
266.02219	0.9
267.02939	1.6
268.03616	0.6
269.04599	0.3
271.02512	2.8
272.03156	1.8
273.03952	0.8
281.01355	0.3
281.04578	0.5
282.01593	1.8
283.02460	100.0
284.02814	7.0
285.01126	0.3
285.03946	1.5
295.02606	0.4
296.03214	1.2
297.03867	1.7
298.01123	0.6
301.03537	3.6
311.02090	0.4
313.03571	1.2
325.03537	5.0
326.03818	0.5
331.04578	1.6
355.04449	0.7
392.07806	2.3
393.08035	0.4
403.06686	19.4
404.06958	2.0
420.07263	10.6
420.11880	0.2
421.07770	3.7
432.07043	0.3
450.08179	0.7
540.11438	19.5
541.10944	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	540.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
61.98687	0.4
69.27869	1.0
69.28291	0.5
71.01259	0.5
73.02780	0.3
75.00748	0.3
76.17653	0.2
77.95328	0.2
83.01258	0.2
84.25240	0.2
85.02843	0.2
92.04931	2.4
93.03350	0.3
96.95839	0.2
101.02336	0.3
108.02061	1.8
109.02884	2.4
110.03161	0.4
119.06061	0.2
121.17992	0.2
123.00780	0.3
126.46979	0.2
136.03955	1.7
137.02385	0.5
152.01065	1.6
153.01846	2.0
154.02110	0.3
155.04948	0.4
157.02875	0.3
167.04865	0.3
171.04431	0.5
175.00220	0.5
183.04460	2.5
185.02324	0.4
187.04018	0.3
195.04411	0.2
198.03136	0.2
199.03906	1.0
202.96272	0.2
209.02377	0.3
211.03946	3.8
211.13161	0.2
212.04340	0.2
213.01794	0.3
215.03406	0.3
226.02757	0.3
227.03467	6.4
228.03769	0.5
237.01898	0.4
238.02678	1.5
239.03452	1.7
243.02916	0.2
253.01442	0.3
254.02223	1.4
254.04489	0.2
255.02983	9.2
256.03333	0.8
257.04245	0.2
258.01657	0.9
259.02429	1.0
265.01575	0.2
266.02127	1.1
267.02908	1.2
268.03726	0.6
271.02518	1.6
272.03281	1.6
273.03918	0.6
281.04489	0.6
282.01703	1.0
283.02481	100.0
284.02826	8.9
285.00961	0.2
285.03989	1.4
286.04562	0.4
296.03223	0.7
297.04062	1.8
298.01102	0.5
298.04431	0.4
301.03589	1.9
313.03613	1.0
324.02795	0.3
325.03485	5.5
326.03854	0.8
331.04547	1.1
355.04547	0.7
385.05502	0.4
387.16867	0.3
392.07840	0.7
402.06100	0.3
403.06689	25.7
404.07089	2.9
420.07233	4.4
421.07529	1.2
431.19800	0.2
432.07254	0.5
447.25763	0.2
450.08105	0.3
522.10358	0.3
539.17773	0.3
540.11389	9.3
540.18292	3.7
541.11243	3.0
541.18854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.01249	12.7
61.98701	6.2
69.03344	0.6
69.24557	4.2
71.01248	3.7
73.02787	0.6
78.95778	0.6
83.04880	0.7
85.02836	1.2
87.00732	1.1
89.02323	2.7
93.03311	0.6
95.01227	0.6
99.00778	0.7
101.02322	3.8
109.02859	0.6
113.02310	1.9
119.03422	0.7
137.02344	0.6
143.03343	0.5
147.02808	0.4
149.74048	0.4
161.04488	1.8
167.14384	0.4
179.05632	0.6
183.13802	6.2
193.12257	1.7
211.13336	100.0
212.13695	8.2
235.08218	0.9
253.09261	13.5
254.09480	0.6
259.02307	0.5
271.02463	0.6
281.00974	0.4
282.01837	0.5
283.02530	1.3
389.24780	0.5
447.22134	7.7
448.22751	1.3
465.27045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.0
57.03334	1.7
58.00463	0.7
59.01254	13.8
61.98702	2.6
65.86268	0.3
68.40371	0.4
68.99677	0.5
69.03329	1.1
70.38444	1.0
70.38802	0.5
71.01254	16.7
72.99167	1.8
73.02827	3.8
75.00746	1.1
81.03349	0.4
83.01260	2.7
85.02830	7.4
85.06480	0.5
85.99963	0.8
87.00745	4.6
89.02321	6.0
91.03884	0.5
95.01266	1.4
97.02834	1.2
99.00742	1.7
101.01702	0.8
101.02327	10.2
108.02064	0.5
111.00790	0.9
111.13160	0.3
112.01546	1.2
113.02335	5.6
119.01563	0.3
119.03390	1.9
120.99557	2.6
122.05997	0.9
124.01570	1.0
125.02344	1.4
127.11164	1.0
129.09196	0.5
134.03638	0.4
135.04408	4.4
137.02376	0.6
141.12723	0.6
143.03415	1.0
152.01036	0.7
152.07083	1.6
153.01802	0.7
159.02850	0.4
160.03949	0.5
161.90617	0.4
163.06174	0.4
171.10126	0.9
179.03424	3.3
190.05096	0.4
192.06602	1.6
239.16525	0.8
253.01712	0.5
255.02988	1.3
255.19646	2.1
257.17560	4.2
267.19574	0.9
281.00977	0.4
282.01685	1.1
283.02429	1.0
283.19165	1.2
285.20706	9.4
286.21112	1.0
301.20090	0.5
303.21771	50.9
304.22144	4.6
315.21744	1.0
317.23270	0.5
345.22815	1.2
357.14658	1.4
377.28986	1.7
402.06046	0.4
429.24213	0.4
447.25983	65.5
448.26352	9.9
465.27032	100.0
466.27374	14.9
508.17206	0.4
539.17065	0.9
539.34314	5.2
540.34863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	0.8
59.01252	14.3
61.98701	3.8
69.32584	0.8
69.35721	6.8
69.36151	1.1
71.01245	4.1
72.99201	0.9
73.02805	1.5
78.95778	1.2
80.96390	1.6
83.01297	0.8
85.02817	1.7
88.98668	3.4
89.02334	2.9
89.97024	0.8
96.50674	0.9
98.95212	0.8
101.02343	4.5
102.14124	0.9
113.02314	2.0
116.98254	0.9
119.03381	1.5
128.03410	1.9
137.02335	1.1
143.04564	2.2
161.04416	1.5
167.14168	0.8
169.05109	0.8
183.13846	6.5
193.12279	1.0
209.11768	4.5
211.13341	100.0
212.13661	8.0
227.12636	1.0
235.08046	0.9
243.15938	0.8
253.09258	13.7
259.81024	0.8
282.01663	2.5
283.02487	1.0
297.04053	3.2
301.03445	1.7
303.16025	1.0
306.07660	2.3
447.22363	9.8
448.22379	1.7
457.13953	0.9
539.21069	4.2
539.29065	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	539.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62688	0.2
59.01250	2.9
61.98720	0.7
66.32633	0.2
71.01257	1.3
71.51707	0.3
72.03222	0.2
73.02827	0.5
75.00771	0.3
78.95793	0.8
80.96410	0.7
85.02829	0.4
87.00771	0.3
89.02327	0.9
89.67935	0.3
101.02342	1.3
106.84049	0.2
108.02033	0.3
108.27187	0.2
109.02856	0.7
119.03411	0.2
120.25265	0.2
123.00767	0.2
135.04437	0.9
136.18826	0.2
137.02379	0.4
148.01604	0.4
152.01064	0.3
152.99503	1.5
155.04997	0.3
159.04498	0.2
161.04391	0.2
171.04424	0.5
173.06018	0.3
175.00334	0.4
182.03610	0.2
183.04428	2.7
183.13837	1.2
184.76054	0.2
185.02373	0.5
187.03996	0.3
193.12350	0.4
195.04372	0.3
199.03935	1.2
209.02359	0.3
211.03961	3.3
211.13350	17.1
212.04280	0.3
212.13707	0.9
213.02017	0.3
215.03642	0.3
223.13327	0.9
226.02620	0.3
227.03448	6.4
228.03937	0.4
235.08160	0.3
237.01855	0.3
238.02606	1.5
239.03468	1.5
240.03682	0.3
241.01311	0.4
243.02794	0.3
253.05049	0.4
253.09309	1.8
254.02255	1.3
255.02971	10.0
256.03427	1.1
258.01776	1.1
259.02533	1.4
266.02216	0.9
267.02933	1.0
268.03513	0.5
271.02481	2.2
272.03333	1.5
281.04520	0.6
282.01675	0.9
283.02475	100.0
284.02817	9.8
285.03940	1.2
295.02359	0.3
296.03253	1.2
297.03912	1.5
298.01065	0.5
301.03458	0.8
303.21774	0.3
311.02151	0.3
313.03387	0.9
315.04944	0.3
324.02838	0.3
325.03531	5.9
325.07407	0.3
326.03918	0.8
329.03003	0.3
355.04517	0.3
367.04114	0.2
391.08322	2.3
403.06693	21.1
404.07108	2.5
419.07724	7.3
420.07996	1.8
431.07584	0.3
447.21872	1.4
449.08554	0.8
539.11798	14.4
539.18713	1.7
540.12164	2.7
540.19098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84013	1.8
54.45898	1.7
59.01241	5.4
62.62920	1.7
66.62965	1.7
69.42528	14.5
96.03314	2.0
101.02377	2.4
102.56364	1.9
120.01141	100.0
137.02332	2.2
162.02264	2.1
164.04721	2.3
179.07065	2.8
299.01920	2.3
300.02374	2.7
341.12524	1.9
418.12451	2.7
528.38593	1.9
538.16516	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	538.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40236	2.8
59.01258	15.0
61.29751	2.9
61.98711	3.6
68.69097	2.9
70.99011	5.6
70.99339	3.3
71.01263	9.3
71.12878	2.6
71.14495	3.1
73.82923	2.8
79.67040	2.6
88.98637	2.8
89.02322	14.6
97.36789	3.2
99.48040	3.3
101.02333	7.6
113.02296	3.9
119.03438	6.0
120.01140	100.0
121.02847	3.7
125.02357	3.9
137.02280	3.4
147.04491	2.9
154.86957	2.7
162.02196	8.1
204.69562	3.4
218.02238	3.0
259.02414	4.5
271.02557	4.3
273.03680	4.0
286.04239	3.5
301.03455	4.4
302.03824	7.4
331.04373	3.2
332.04929	4.5
538.15771	4.1
539.17310	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54299	2.7
54.33419	3.0
57.80601	3.0
59.01255	42.8
61.22800	2.8
70.91474	4.0
70.91795	3.4
71.01254	59.9
72.99186	4.9
73.02824	19.0
78.06960	2.7
85.02820	17.3
86.62819	3.1
89.02319	53.4
99.00771	14.4
101.02323	35.1
113.02325	18.7
119.03375	5.6
125.02335	7.0
131.03392	6.5
137.51410	2.9
141.11353	3.1
149.04440	11.6
159.06526	3.8
161.04466	12.0
174.37943	3.1
191.05484	4.6
195.51366	2.8
200.33168	3.0
206.72388	2.9
216.84908	3.2
243.03008	5.4
257.04565	17.2
269.04675	5.6
273.03503	6.0
285.04037	30.7
315.05038	10.0
345.19257	16.8
385.09174	4.0
389.12112	4.8
408.77380	3.8
417.11893	56.7
418.12076	7.2
429.11679	4.0
447.12796	20.7
477.23395	100.0
478.23712	12.3
537.16144	65.2
537.32703	5.2
538.16302	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33547	0.4
59.01230	0.7
60.65734	0.5
71.01243	2.3
71.43613	1.1
71.43977	0.6
95.01207	0.8
106.76212	0.4
108.02058	1.4
109.02836	14.8
114.99580	0.4
115.00259	3.4
121.02804	2.7
122.03644	1.2
123.00760	1.0
123.04433	0.7
133.01335	4.8
135.04329	0.6
136.01556	8.8
137.02368	0.9
138.34042	0.5
145.02856	2.0
146.03641	3.5
147.04387	1.6
149.02356	1.5
150.03140	4.5
151.03912	8.3
152.01042	0.6
158.03592	0.9
159.04459	1.3
160.05208	1.1
161.05957	2.9
165.05486	4.8
171.04355	0.7
172.05203	2.2
173.05940	0.9
174.02965	0.5
175.03935	7.7
176.04716	6.5
179.03407	0.5
179.07010	1.2
187.03983	1.0
188.04672	0.8
189.05519	5.9
190.06294	4.9
190.95110	0.6
191.07080	8.4
195.06535	5.6
223.07587	0.7
233.05875	0.6
239.07080	0.6
249.05711	0.5
251.07097	3.5
258.01855	0.8
261.05521	1.8
262.06216	1.4
263.07150	0.9
266.05780	2.9
266.09406	0.9
267.06619	10.2
268.06937	0.9
273.03946	0.5
278.05881	1.6
279.06625	11.7
280.07181	1.4
281.08133	2.8
282.08911	4.2
283.02448	5.0
283.09354	0.6
285.03925	0.7
293.08228	1.7
294.09003	7.6
295.09454	1.0
296.10583	1.9
297.07718	4.1
297.11319	11.1
298.11688	2.0
301.03683	2.9
309.11386	1.5
311.09290	0.6
312.10001	16.3
313.10358	2.1
315.12451	1.7
324.10129	0.5
327.12363	100.0
328.12683	11.5
331.04681	1.4
345.13440	6.4
346.13864	0.9
357.13434	18.8
358.13733	1.7
358.78928	0.5
375.10254	0.9
375.14514	9.9
376.14783	1.3
397.59491	0.5
403.06656	2.5
404.07428	0.6
421.07648	3.3
422.07797	0.6
447.14136	1.7
455.10721	0.6
466.08456	0.5
529.61493	0.6
537.17090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25504	0.7
55.61597	0.7
58.00467	2.1
59.01248	48.4
69.31158	0.8
71.01254	29.0
71.28773	1.4
72.47070	0.7
72.99180	3.6
73.02837	1.6
83.01266	1.4
85.02824	5.0
87.00735	1.3
89.02317	47.0
90.02647	0.8
95.01247	1.7
101.02314	17.6
102.02611	0.9
109.02841	8.2
109.22433	0.7
113.02337	13.2
117.01847	1.5
119.03389	21.2
120.61485	0.8
121.02867	1.2
122.03598	1.2
123.04390	1.2
131.03389	2.2
135.67036	0.9
136.01556	7.2
137.02303	2.4
143.03398	2.2
146.03624	1.1
149.02368	1.9
149.04419	2.3
150.03134	5.1
151.03915	9.3
157.06357	0.8
159.04442	2.0
161.04445	3.0
162.03169	1.0
163.03877	2.1
164.04738	1.1
165.05548	4.7
171.04482	1.2
172.05203	1.6
173.05959	2.1
177.05460	2.6
179.05537	7.9
179.06993	1.5
187.03957	5.9
187.07426	0.9
188.04669	3.2
195.06566	3.5
201.05531	1.3
202.06303	4.4
203.07033	2.3
263.07147	1.4
275.07285	0.9
277.04944	0.9
279.06616	3.6
280.07407	1.1
281.07895	1.0
291.06546	2.0
293.08173	1.5
294.08890	1.6
295.09756	1.8
299.01923	2.1
307.09787	1.2
308.10541	1.7
309.07495	4.1
323.09259	4.9
324.09991	13.9
325.10379	1.4
327.12466	1.3
339.12350	100.0
340.12646	12.3
419.06174	1.2
519.18951	2.4
537.17053	1.1
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
59.01253	13.7
61.98695	4.2
62.35930	0.9
66.40892	0.8
69.03324	12.3
69.31351	5.0
69.31773	3.1
70.37813	0.8
71.00900	1.0
71.01259	10.5
72.99171	3.0
73.02824	2.9
75.00742	11.5
76.58794	1.0
83.01259	2.7
85.02814	3.1
87.00747	1.4
88.98664	3.1
89.02309	6.4
92.24023	1.0
93.03326	3.8
95.01253	2.0
97.02805	1.4
98.20590	2.0
99.00761	1.2
101.02326	6.9
108.02029	1.1
109.02818	4.8
111.04397	1.2
113.02348	3.6
115.03877	3.0
118.97939	1.3
119.03394	3.2
121.02841	2.1
123.04453	1.5
125.02319	2.9
129.05464	3.7
135.04404	1.6
137.02374	7.7
138.28915	1.1
139.03920	2.9
149.02335	3.3
153.01852	8.3
161.04541	1.9
163.03865	1.1
167.03375	4.2
173.05934	1.1
179.03438	2.1
189.24471	1.1
191.03384	1.8
193.01302	1.3
197.06047	1.2
203.03513	1.2
204.04132	1.8
205.04999	1.6
209.04449	2.9
211.13356	1.7
213.05457	1.3
227.03380	1.5
228.41814	0.9
231.02966	2.0
232.03603	1.5
233.04518	4.0
241.05043	9.7
243.02957	1.9
243.06621	1.9
245.04459	1.2
250.85625	1.0
257.04523	20.4
258.04874	1.7
259.02518	2.9
259.05991	4.9
261.04041	2.7
267.03085	1.0
269.04498	8.2
271.02478	1.4
272.03165	3.4
273.03632	1.7
274.03751	2.0
281.08185	1.3
283.02560	10.1
284.03012	1.6
285.04047	20.7
286.04504	2.3
287.05640	21.9
287.08841	1.8
288.05728	1.5
299.05612	2.2
301.03351	1.9
301.10931	1.4
329.10333	4.2
331.04968	1.3
339.08713	1.2
357.09775	2.4
361.12991	1.4
375.27509	2.6
385.09314	7.7
389.12421	2.3
399.10687	1.2
403.06503	2.9
407.09683	5.7
415.10461	1.9
417.11926	47.3
418.12302	6.3
421.24661	1.3
447.13058	2.4
505.13556	1.7
522.28058	1.1
537.16132	100.0
537.32788	18.8
538.16382	15.2
538.33374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01019	0.9
59.01253	9.2
61.98698	4.4
69.03326	9.6
71.00663	2.8
71.01253	7.0
72.97405	3.9
72.99184	2.6
73.02848	1.7
73.97626	0.9
74.42065	1.1
74.98975	14.5
78.95768	2.9
79.78047	1.0
83.01258	1.5
85.02811	2.6
89.02320	4.1
93.03286	1.4
95.04895	1.2
96.96844	1.8
97.02837	1.6
99.00786	1.1
101.02336	3.5
108.02042	1.4
109.02850	1.2
113.02352	2.2
115.03889	3.2
118.97977	87.5
119.03410	1.2
119.98346	1.4
123.04392	1.9
125.02318	2.8
129.01808	1.4
129.05460	4.5
135.04416	2.3
137.02376	2.0
138.96782	1.4
139.03860	1.9
149.02356	4.4
149.04541	1.3
150.03110	1.1
151.00301	1.1
151.03989	1.2
152.01051	1.4
161.02345	3.0
167.03398	5.3
175.03891	1.7
176.04724	2.2
179.03413	5.0
180.04192	1.2
191.03407	1.6
193.01248	1.2
194.05846	3.5
195.06616	2.0
198.62576	1.4
204.04225	1.4
209.08116	4.8
217.05049	1.3
225.05992	1.8
231.03012	2.7
233.04578	4.3
241.05037	10.6
243.03029	1.8
245.04356	1.2
257.04544	23.4
258.04987	2.7
259.02509	1.8
259.06073	5.3
261.04077	2.3
269.04575	8.8
271.02515	1.5
271.05753	1.5
273.03659	1.4
285.04056	22.6
285.07263	2.3
286.04428	2.2
287.02435	1.9
287.05630	22.3
288.02957	1.5
288.06009	2.6
299.05609	1.3
301.07214	1.2
301.10709	1.3
329.10388	4.1
339.08539	1.7
346.72150	1.2
357.09979	2.7
375.27524	2.6
384.27869	1.2
385.09363	9.2
389.12054	2.1
407.09711	7.8
415.10287	2.5
417.06308	2.4
417.11905	45.2
418.12558	6.3
505.13608	4.3
537.16144	100.0
537.32825	10.2
538.16516	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	537.1617
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
59.00999	1.2
59.01255	16.9
61.98695	3.4
67.55610	0.9
67.68596	0.8
68.60564	0.9
69.03306	2.0
71.01257	7.1
71.51858	1.5
73.02802	1.6
74.02338	1.0
75.00732	1.4
81.03317	1.2
83.01273	1.6
85.02814	3.4
89.02300	2.9
92.16612	1.0
95.01273	1.1
97.02814	1.2
101.02309	4.3
113.02345	1.9
115.03900	0.9
119.03368	2.2
121.02827	1.8
123.04431	1.3
125.02335	5.6
137.02307	3.7
149.02296	1.9
151.00275	1.8
161.04550	1.1
161.05940	1.2
163.00249	2.9
163.03879	1.2
164.04694	7.9
165.01810	3.2
167.03415	7.3
177.05493	2.7
179.03322	1.1
179.07065	9.0
189.05363	1.3
191.03412	1.7
191.07100	3.3
193.01352	5.2
197.04530	1.8
202.02663	1.7
203.03455	1.5
205.04977	3.3
215.03365	1.6
217.04895	1.3
223.02628	1.2
229.05013	1.7
231.02945	2.6
233.04517	4.2
241.05005	4.4
242.05609	1.4
243.02982	1.3
243.06609	1.6
255.03012	1.3
256.03629	3.0
257.04611	4.0
258.01611	3.1
258.04620	1.0
259.02460	6.3
269.04520	2.5
271.02472	6.7
271.05936	1.8
272.03247	4.5
272.06198	0.9
273.03894	2.4
283.02335	1.7
283.06039	1.9
285.04065	3.5
285.07712	5.6
287.02161	1.3
287.05661	2.6
295.06174	1.5
297.07492	1.4
299.05591	2.1
300.06064	1.2
301.03586	11.5
302.03845	2.2
311.05600	1.2
311.09058	1.9
313.03754	1.8
313.07205	7.2
315.05191	6.8
317.06400	1.3
325.07108	1.5
329.10431	4.7
331.04590	7.7
341.06680	5.1
343.08121	3.5
345.06161	2.2
355.08051	1.8
357.09708	7.1
361.13165	5.6
369.09518	2.2
371.07562	2.1
373.09109	7.3
385.09314	42.7
386.09607	3.9
387.10706	1.9
389.12448	15.8
390.12643	1.3
397.09348	4.2
398.09491	1.2
401.12497	1.5
403.10556	2.1
415.10327	32.1
416.10437	5.2
417.11914	52.4
418.12103	6.8
419.13477	5.9
427.10437	2.8
445.11276	1.3
447.12970	15.1
448.13309	2.4
487.12442	3.7
505.13678	12.0
506.13330	1.8
509.16614	1.8
518.09149	1.1
519.14996	3.9
536.31348	5.6
537.16113	100.0
537.32672	15.1
538.16315	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.0
57.01202	1.1
57.03320	2.0
59.00993	1.5
59.01256	17.6
61.98696	2.3
63.85297	1.2
69.03326	2.9
71.01251	14.2
71.52472	2.4
72.99178	1.5
73.02810	4.1
81.03320	1.3
83.01238	3.6
85.02806	4.4
87.00759	2.2
89.02306	5.1
93.03305	3.3
94.81931	1.2
95.01273	2.0
95.04952	1.5
97.02840	1.3
97.06480	1.2
99.04375	1.2
101.02307	6.5
109.02810	1.8
113.02320	4.1
119.03326	1.4
121.02870	1.9
123.04386	2.0
125.02338	8.0
128.03436	1.2
130.04015	1.2
136.01541	1.2
137.02299	3.4
151.03923	2.5
161.02324	2.5
163.00266	1.7
165.01878	3.0
167.03384	6.8
171.38892	1.1
175.03870	1.8
176.48660	1.1
181.04944	1.5
191.03409	2.5
191.07088	2.0
193.01326	3.9
197.04486	2.2
202.02626	2.3
203.03398	2.5
204.04189	2.9
205.04988	3.4
219.02901	1.5
221.19093	4.1
223.02403	1.6
231.02875	3.3
233.04539	4.4
239.03416	1.3
241.05081	5.9
243.03027	1.7
245.04532	1.5
251.16527	1.7
255.02885	1.7
256.03619	1.8
257.04504	3.1
258.01624	2.4
259.02463	4.1
261.04242	1.9
263.05563	1.7
269.04602	2.7
269.08099	1.8
271.02371	6.1
271.06012	1.8
272.03259	5.1
273.03796	2.3
283.02194	2.7
283.19171	3.3
285.04022	4.6
285.07693	5.6
287.02020	2.3
287.05521	2.9
297.04321	1.5
297.07513	1.9
299.05630	2.1
301.03491	10.3
301.20255	3.3
313.03806	1.9
313.07205	16.2
314.07373	1.6
315.05042	7.2
317.06619	1.7
329.10303	5.4
331.04358	4.1
334.16306	1.4
341.06540	5.0
343.08215	5.7
345.06226	1.7
355.08627	1.8
357.09842	6.2
357.26431	5.5
361.12775	4.5
367.08133	3.6
369.09711	2.8
373.09286	6.9
375.27594	11.9
385.09210	45.7
386.09616	4.8
387.10873	2.5
389.12357	14.8
397.09265	5.7
401.12308	2.5
403.10394	2.8
415.10297	33.2
416.10602	4.0
417.11908	42.5
418.12192	4.5
419.13342	7.4
429.11444	1.7
445.24304	3.7
447.12833	12.6
463.25613	6.2
487.12320	4.3
505.13074	9.7
509.16766	2.2
519.15002	2.6
536.31421	2.4
537.16095	100.0
537.33344	56.9
538.16290	13.8
538.33667	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	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
55.19200	0.7
58.00467	2.5
59.01250	50.3
60.01594	1.1
61.98694	1.6
63.88475	0.7
69.03326	17.8
69.27771	6.3
71.01253	45.9
72.99170	3.9
73.02818	8.1
75.00741	3.0
78.95782	1.1
79.01734	1.1
81.03320	4.9
83.01262	4.5
85.02821	10.3
87.00758	3.2
88.98676	3.3
89.02317	51.9
90.02650	1.1
95.01262	4.0
97.02818	17.3
98.20573	1.3
99.00748	10.5
99.04368	1.8
101.02319	10.7
107.01266	7.5
108.02053	38.0
109.02151	1.0
109.02843	20.3
110.03218	1.4
111.00738	1.1
113.02339	7.3
115.03917	5.3
119.03423	1.1
121.02835	2.5
123.00766	5.9
123.04387	1.0
125.02331	38.6
126.02731	1.2
128.03458	0.8
131.03395	6.4
135.00775	25.0
137.02316	3.8
143.03413	2.9
144.42897	0.8
149.04462	5.1
151.00266	6.4
152.01056	76.8
153.01854	27.2
154.02199	0.8
161.04472	3.7
161.46269	0.7
161.49243	0.8
163.03920	1.3
165.01881	0.8
167.03407	5.3
175.06067	0.9
177.01804	1.0
189.68237	0.8
191.05577	5.1
197.05997	3.0
206.48932	0.9
213.84245	0.8
225.11351	1.0
233.06630	18.7
234.06941	1.3
242.05817	3.3
243.06587	42.4
244.06931	3.9
258.01801	0.8
285.03885	0.9
291.12497	0.9
293.08743	12.2
301.03522	3.9
315.07312	1.5
331.04596	2.1
356.35837	0.7
405.12027	4.5
406.12219	1.0
411.09418	1.2
429.10361	100.0
430.10764	10.5
435.22266	2.9
505.13608	1.2
536.30975	0.9
537.15515	4.3
537.32666	2.8
538.15863	0.9
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
59.01249	12.8
61.98691	3.1
68.43774	0.7
69.03318	1.1
69.80319	3.9
71.01261	9.3
72.99169	0.8
73.02798	2.6
73.83473	0.7
74.98946	1.0
75.00720	1.2
83.01272	1.7
85.02813	2.6
87.04389	3.3
88.98678	5.1
89.02328	7.2
95.01268	1.6
99.00752	1.0
101.02315	6.9
109.02866	0.8
113.02318	3.6
115.03893	12.9
118.97971	8.4
119.03394	2.8
123.04436	0.9
125.02353	4.0
129.01813	1.0
136.67050	1.0
137.02341	2.2
143.03520	0.9
149.02385	0.9
149.04398	1.4
151.00275	1.1
159.04425	1.1
161.04459	1.8
161.05919	0.8
165.01813	0.9
167.03444	4.1
167.04645	1.0
175.21083	0.8
179.05568	1.5
179.07083	1.9
191.07037	1.0
193.01289	1.6
197.06055	2.0
199.03984	0.7
205.05060	0.9
209.08090	0.9
211.03952	1.3
216.25882	0.8
227.03502	3.5
233.04524	1.6
239.03433	3.3
240.04179	1.6
241.05017	16.6
242.05383	1.5
245.04640	1.1
253.04883	1.5
255.03062	3.7
255.06213	0.8
257.04642	1.2
259.02579	1.8
261.04025	1.5
266.02045	0.9
268.03616	1.1
269.04556	39.5
270.04865	4.6
271.02484	1.8
272.03156	3.2
273.03839	1.5
281.04581	4.0
282.04623	0.9
283.02487	28.3
283.05606	1.0
284.02811	3.8
285.03629	0.8
287.02124	1.1
287.05536	2.3
299.05606	15.8
300.02753	2.2
300.05869	1.3
301.03741	3.7
311.05798	1.0
311.09293	1.3
313.03784	1.1
313.07233	1.4
315.05118	2.2
325.03439	1.1
331.17041	0.8
341.06763	1.8
357.09750	2.9
367.08224	1.2
371.07620	1.4
375.27487	4.9
385.09183	3.9
387.10764	1.4
389.08316	1.6
389.12778	1.4
397.09311	1.2
403.06653	7.5
404.06937	2.1
415.10324	2.1
417.11957	55.0
418.12247	8.2
421.07745	0.9
429.11700	1.5
447.13266	14.0
448.13501	1.5
477.11844	1.1
477.23346	2.1
505.13971	1.0
507.18243	1.4
519.15405	2.6
537.16138	100.0
537.32831	19.6
538.16455	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	537.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
61.98687	1.4
65.00181	0.5
69.24571	2.1
71.01247	1.1
73.02805	0.4
73.19603	0.3
75.00748	1.8
75.45709	0.3
78.95784	0.4
80.02538	0.6
80.96387	0.5
83.88342	0.2
88.98674	0.7
89.02306	0.8
91.01773	13.5
92.02106	0.4
93.03344	0.3
95.01247	0.6
101.02364	0.3
107.01283	0.3
107.04905	0.4
108.02052	16.4
109.02872	3.6
113.02325	0.4
114.55582	0.3
121.02836	1.0
123.00774	5.4
124.01569	0.6
125.02306	0.4
129.36501	0.2
135.00777	13.4
136.01103	0.4
137.02350	3.6
152.01060	16.5
153.01671	0.9
166.78192	0.3
169.06493	0.5
197.06026	1.0
199.07628	0.5
209.11784	0.3
213.05638	1.2
213.07559	0.2
215.07100	1.0
221.26973	0.2
223.09802	0.5
225.05618	0.3
241.04858	0.3
243.06602	100.0
244.06921	7.6
429.10330	1.7
459.14175	0.4
477.19244	0.6
493.29373	0.4
495.26785	0.3
519.20270	0.4
537.16028	6.8
537.23572	0.4
537.32703	0.4
538.16479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.4
61.98698	4.6
63.21567	1.0
69.03307	3.5
69.56560	3.4
69.56977	4.1
71.01231	3.4
72.99190	1.0
73.02831	1.1
75.00721	1.2
81.03338	1.3
89.02323	2.7
93.26733	1.1
95.01243	1.1
97.02880	1.1
99.04406	1.6
101.02279	2.4
109.02831	2.2
113.02341	1.3
115.03927	1.1
118.12711	1.2
121.02784	2.0
123.04410	1.8
125.02336	3.0
135.00731	2.1
135.04472	1.8
137.02290	1.6
139.03836	2.4
149.02377	1.8
151.03918	1.1
153.01833	3.9
161.02351	1.1
165.01819	2.4
167.03395	6.3
193.01361	1.9
202.02675	1.4
204.04211	2.5
205.05003	5.0
213.05481	2.2
215.03355	1.4
217.04999	1.8
227.03586	1.1
229.04970	2.1
230.05690	1.1
231.03110	1.7
233.04482	4.6
239.03363	2.9
241.05074	8.0
243.03020	5.3
243.06586	2.1
253.04974	1.2
255.02934	5.2
256.03616	1.7
257.04559	30.2
258.05182	4.7
259.06076	4.6
261.03906	6.2
269.04602	9.1
271.02448	1.4
271.06168	2.2
272.03183	1.9
273.04230	1.3
281.04349	1.3
283.02469	4.9
283.05627	1.1
285.04053	52.6
285.07251	2.2
286.04410	5.4
287.02704	1.1
287.05756	5.8
287.08670	1.3
290.04263	3.9
291.05127	1.5
297.04095	6.9
297.07184	1.8
299.05838	2.2
301.03738	1.6
313.10971	2.0
315.05176	13.7
315.08536	1.6
317.06827	1.7
329.10101	2.6
339.09000	1.8
357.09839	5.9
361.12891	2.3
367.08017	1.8
375.10553	1.9
385.09271	9.8
387.10806	1.8
389.12503	3.8
399.11063	1.3
415.10324	3.9
417.11908	93.0
418.12238	11.0
429.11844	3.7
447.12979	29.2
448.13257	4.6
459.12924	2.6
461.14960	1.4
489.19266	1.7
519.14929	4.7
537.16113	100.0
537.33014	5.5
538.16388	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	537.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
59.01252	6.7
60.97392	1.0
61.98696	8.7
69.03323	1.4
69.36567	4.7
71.01253	4.6
72.97412	3.7
72.99185	1.5
73.02773	0.7
74.98972	15.7
78.95787	1.5
81.52287	0.5
85.02815	2.3
87.00728	0.9
88.98639	0.7
89.02319	5.1
96.96845	0.7
97.58543	0.6
98.40456	0.6
99.00761	0.8
101.02304	3.3
109.02831	0.9
113.02312	2.1
113.40128	0.6
117.97243	0.7
118.97974	100.0
119.03381	1.4
119.98295	1.7
135.04411	0.7
148.03828	0.9
149.02332	1.2
149.04512	1.2
151.03902	1.9
152.01038	1.0
153.86041	0.6
161.02347	2.9
163.75739	0.7
167.03406	0.8
175.03973	0.9
176.04671	1.1
177.05611	0.6
179.03409	5.4
179.04861	0.8
194.05751	3.8
195.06393	1.0
209.08121	3.5
225.05867	1.2
231.02826	0.7
233.04710	0.7
241.05127	1.0
257.04559	2.4
269.04541	1.1
272.03360	0.8
283.02457	1.1
285.04071	2.8
287.05643	2.2
375.27487	1.7
385.09219	1.5
407.09961	1.1
417.11877	5.3
445.24557	1.5
537.15948	13.7
537.32910	5.0
538.17273	3.7
548.91443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65061	1.4
59.01229	1.7
59.24192	1.4
59.59491	1.3
69.33276	4.4
69.33702	7.7
71.01255	24.9
72.93929	1.6
72.99191	7.2
75.62112	1.4
79.46501	1.3
87.00744	1.8
89.02331	4.8
108.44199	1.4
109.02839	1.9
115.00259	65.7
115.01076	3.3
116.00584	2.3
123.04412	2.9
133.01324	95.5
134.01758	1.8
134.03038	1.5
211.03943	2.3
227.03436	4.0
229.04906	2.4
243.06586	2.8
255.02928	5.6
256.76352	1.5
258.01660	5.9
259.02451	6.5
271.02426	8.7
272.03088	6.7
273.03983	11.5
283.02463	100.0
284.02786	8.5
285.04117	3.6
298.01208	2.0
299.02026	2.0
301.03525	41.8
302.03867	4.7
313.03476	4.0
327.12436	5.2
331.04572	17.7
403.06662	37.9
404.06924	4.5
417.49820	1.5
421.07758	33.9
422.08286	3.8
447.13678	1.9
537.16412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.3
69.80280	0.8
78.95750	0.2
108.77453	0.2
110.67645	0.2
116.73672	0.2
123.33389	0.2
204.92468	0.2
225.17990	0.2
254.31853	0.2
331.80682	0.2
334.81253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29446	1.0
54.33018	1.1
70.15708	1.0
71.01266	1.2
71.51816	1.6
93.40714	1.2
109.02840	3.0
176.05820	1.2
182.85739	1.2
228.04289	3.3
229.04991	2.5
241.05054	1.2
242.02426	1.5
255.02966	2.7
256.03735	8.8
256.57773	1.3
257.04425	3.9
269.04526	1.5
271.02466	2.8
283.02475	2.5
284.03229	7.4
285.04022	19.8
286.04575	2.5
297.04007	1.5
313.03537	48.4
314.03903	4.4
316.02289	4.8
343.04550	15.6
344.04950	1.7
433.07718	100.0
434.08084	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	537.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74673	1.4
59.01260	9.3
59.71460	1.6
60.99175	10.0
71.01251	6.9
72.99168	1.9
85.02814	2.5
88.98679	53.2
89.02336	7.2
97.02830	2.1
101.02335	3.4
109.02840	2.9
113.02328	2.1
119.04913	1.9
121.02870	1.8
125.02375	2.1
133.02846	9.3
135.04404	2.2
137.02330	2.2
149.02383	2.7
151.03870	1.8
161.92651	1.6
162.02089	1.7
163.00223	1.9
163.03864	3.3
165.01834	2.9
167.03384	1.6
169.81920	2.0
175.03889	2.8
177.05550	1.8
179.07114	1.8
187.12587	1.6
193.01237	1.6
211.57764	1.4
255.03104	1.9
269.04550	3.4
277.17676	1.6
283.02499	3.1
284.03275	9.2
285.04050	7.6
297.03976	16.4
298.04593	9.7
299.05536	18.9
301.03479	2.9
311.05496	2.2
325.03580	2.6
327.05081	100.0
328.05463	11.1
339.05161	3.0
357.06165	24.0
358.06519	3.2
369.06174	3.4
432.77985	1.6
447.09274	76.2
448.09509	9.5
477.23337	3.2
537.15790	5.0
537.25555	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	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.2
61.98703	3.7
70.66236	4.9
71.01253	10.2
72.99184	2.8
73.02807	3.3
75.00745	100.0
85.02824	6.1
87.00758	4.9
89.02312	2.3
101.02317	4.8
113.02309	2.4
134.60051	1.7
148.33473	1.4
210.77185	1.5
211.13293	1.7
237.40559	1.7
269.21152	3.4
287.22284	21.8
288.22702	2.4
288.45886	1.6
431.26495	9.6
432.26892	1.7
446.08710	2.5
449.27567	21.3
450.27975	3.4
469.16785	2.1
475.29129	1.8
491.28638	45.7
492.28693	7.1
517.18536	2.0
535.31354	7.7
536.12183	2.2
554.51813	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	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01591	1.1
71.22926	0.8
80.53515	0.4
90.43076	0.5
101.08334	0.4
105.04320	0.4
181.41566	0.4
209.95116	0.5
348.84494	0.5
349.04547	0.5
414.76743	0.4
436.65793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55604	2.9
55.50253	3.0
59.01252	46.6
61.98684	12.7
70.54693	4.9
70.55042	7.3
71.01252	20.6
72.99180	3.0
73.02801	5.1
75.00743	84.4
80.27007	3.2
85.02799	7.3
87.00780	7.9
87.83074	2.7
89.02317	6.1
101.02354	4.9
113.02332	4.3
128.03418	3.0
132.30786	2.8
143.04491	3.4
147.32236	3.7
179.03445	3.2
287.22232	33.0
309.08646	3.4
349.14050	3.2
388.56882	3.2
399.88873	2.9
431.26532	18.7
449.27625	40.3
450.27948	6.9
491.21957	6.1
491.28650	100.0
492.28778	20.8
520.89136	3.4
535.20239	4.2
535.31085	12.8
563.42981	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	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
63.97022	0.5
71.01237	1.1
71.28323	1.1
103.12091	0.4
108.02061	0.5
148.64195	0.5
165.89630	0.5
168.51561	0.5
188.04720	1.9
215.03352	1.3
216.04250	0.7
227.03543	1.2
229.01369	3.3
230.02095	1.9
231.02916	0.7
242.02174	2.9
243.02969	12.9
244.03723	10.5
245.04126	0.9
255.02927	2.0
256.03799	1.3
257.00891	2.2
258.01639	5.4
259.02435	8.7
260.03009	1.1
269.04510	0.8
270.01718	2.8
271.02469	31.7
272.03247	100.0
273.03644	10.2
283.02502	3.4
284.03171	2.1
285.00336	1.6
285.04028	2.0
286.04675	1.0
287.02014	10.0
288.02466	0.7
298.01077	0.9
299.01956	9.5
300.02722	12.9
300.06110	0.8
301.03500	5.7
302.03989	1.1
304.02267	8.6
311.01993	1.1
312.02594	0.8
313.03491	2.8
315.04980	0.7
329.03107	2.5
330.03799	10.7
331.04178	1.8
342.03595	0.7
343.04514	2.7
345.06253	0.5
373.05542	2.0
373.09552	0.7
397.09164	1.0
399.10867	0.7
402.05847	1.1
415.10336	41.6
416.10587	5.2
420.07001	12.0
421.07193	1.2
427.10333	0.9
445.11453	11.8
446.11844	1.7
457.11453	1.1
463.08859	3.2
517.13605	3.7
535.14557	61.4
536.14941	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	535.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97792	0.3
59.01252	2.8
61.98702	1.2
71.01259	2.5
71.51042	0.4
72.99171	0.4
73.02821	0.6
74.02354	0.3
85.02830	0.5
87.00755	0.4
89.02330	1.8
101.02325	1.2
108.02056	1.5
109.02829	0.4
113.02322	0.6
119.03393	0.4
124.79134	0.3
128.03400	0.4
143.04539	0.5
149.02354	0.9
151.00301	0.5
152.01082	1.4
152.88411	0.3
161.02232	0.3
163.00282	0.3
165.01801	0.3
167.03439	1.9
171.04503	0.4
174.03143	0.7
186.03058	0.4
188.04698	2.7
190.02641	0.7
199.03963	0.7
205.05011	0.4
214.02643	1.0
215.03438	1.8
216.04195	1.6
217.01151	0.5
219.02936	0.8
221.11884	0.7
222.74702	0.3
227.03423	2.2
229.01381	5.5
230.02182	2.0
231.02936	1.1
241.01511	0.5
242.02203	2.8
243.02962	18.8
244.03709	12.6
245.04192	1.4
255.02985	2.2
256.03735	1.7
257.00928	2.9
257.04456	1.0
258.01694	6.9
259.02457	8.3
260.02826	0.9
269.04657	0.7
270.01718	3.1
271.02472	37.7
272.03253	100.0
273.03662	9.1
282.01736	0.5
283.02478	3.8
284.03238	1.7
285.00403	2.3
285.04065	2.4
286.04752	1.2
287.01968	10.5
288.02399	0.9
297.00659	0.4
297.03964	1.1
298.01306	0.9
299.01944	7.7
300.02734	13.6
301.03467	8.2
302.04068	1.2
304.02252	8.4
305.02585	0.5
308.02878	0.4
311.01956	1.6
312.02722	1.3
313.03403	2.7
315.05145	0.8
327.05002	0.6
329.03183	1.8
330.03815	10.7
331.04333	2.5
343.04575	3.6
344.05038	0.7
365.15903	0.4
367.10352	0.5
373.05652	2.9
374.05902	0.5
397.09344	2.0
402.06039	1.6
403.06290	0.5
415.10339	47.1
416.10739	5.2
419.06174	0.8
420.06967	15.1
421.07513	2.6
427.10431	1.0
445.11465	13.4
446.11600	1.9
457.11365	1.3
463.08820	4.4
464.09033	0.7
517.13483	5.4
518.13593	1.3
532.14331	0.4
535.14551	82.8
536.14911	14.2
536.23639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29013	1.6
52.33744	1.8
52.44534	1.6
59.01235	7.0
61.98697	1.7
71.01262	2.6
71.52157	2.2
72.43337	1.8
73.28378	1.7
74.02344	1.8
87.04386	5.4
89.02273	3.0
96.81437	1.8
106.31859	1.6
108.02052	3.3
109.02830	5.7
111.08340	1.9
115.86258	1.8
123.00808	1.7
123.04362	2.4
125.02320	2.3
128.03429	3.3
131.03389	5.0
136.01569	2.8
136.67993	1.9
139.62979	1.7
143.04530	3.3
151.03873	2.9
152.01076	3.6
166.97783	1.9
167.03375	2.1
202.05496	1.9
243.02939	3.4
243.06679	2.1
244.03699	2.4
255.02989	2.5
257.04361	2.5
258.01767	10.5
259.02405	8.3
259.35538	1.8
271.02524	15.8
272.03247	61.9
273.03796	8.8
276.16245	1.7
283.02502	20.3
284.03174	5.0
285.00598	3.4
285.04037	21.7
286.04803	28.4
287.01944	11.8
287.05283	4.9
297.04044	11.7
298.04498	4.3
299.01889	5.2
300.02747	2.5
301.03552	24.5
302.03827	2.7
304.02130	4.6
306.07788	5.2
310.05008	2.4
311.02130	3.5
311.05463	3.0
312.02716	3.8
313.03580	18.8
313.10733	3.4
325.03473	4.4
325.07007	2.7
327.05112	7.0
327.08771	6.0
331.04477	3.5
339.08777	5.3
340.02368	5.0
340.09744	2.3
343.04572	53.0
344.04849	3.7
347.05139	1.8
355.04456	5.4
355.08386	2.7
357.05991	2.5
369.09604	13.5
373.05658	45.3
373.12970	7.1
374.06009	7.4
381.09506	3.3
385.05661	2.4
397.09274	28.3
398.09979	3.1
399.10699	5.2
403.06894	5.2
414.97424	2.1
415.10272	7.4
416.10629	3.0
421.07687	5.4
427.10464	19.7
428.10794	2.9
445.07834	6.9
463.08896	17.4
499.12564	2.4
517.13531	42.7
518.14032	6.2
535.14557	100.0
536.15063	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	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02531	1.0
59.01247	4.5
61.98702	37.4
62.08651	0.9
69.03316	0.9
69.42488	6.8
71.01256	2.8
73.02859	0.9
75.00738	3.5
75.89235	0.9
85.02835	1.4
89.02328	1.9
101.02306	1.8
144.05638	1.5
159.04381	1.3
160.05205	1.0
161.02304	1.3
173.02379	1.3
188.04672	8.3
205.01413	1.5
215.03540	4.8
216.04182	5.8
219.02885	5.3
227.03256	1.3
229.01418	17.4
230.02145	6.1
231.03052	4.8
242.02112	5.3
243.02933	25.9
244.03731	52.9
245.04076	4.3
255.02948	3.7
256.03708	3.7
257.00916	11.7
257.03894	1.5
258.01672	14.0
259.02438	12.9
260.02881	1.7
267.03152	1.2
269.04587	1.5
270.01785	4.9
271.02481	37.6
271.05487	1.8
272.03244	100.0
273.03659	8.8
283.02591	6.5
284.03247	1.8
285.00436	2.0
285.03928	2.6
286.04800	1.4
287.01926	7.3
288.02283	1.7
293.04593	4.3
297.04144	1.6
298.01389	1.4
299.02081	10.3
300.02719	54.0
301.03284	11.1
302.04190	3.2
304.02298	7.0
311.01828	2.1
312.02716	2.3
313.03491	2.8
329.02814	2.3
330.03799	47.2
331.04224	6.0
343.04523	10.6
373.05527	6.2
374.06277	2.0
383.11224	4.3
397.09268	5.3
402.05786	7.0
411.90680	1.0
413.08621	2.7
415.10315	45.6
416.10541	6.7
419.06146	2.1
420.06979	63.1
421.07175	7.5
427.10703	1.2
445.11868	10.8
446.12036	1.4
463.08795	14.6
464.09192	2.1
503.15674	2.4
517.13556	18.8
518.13940	2.1
535.14520	95.8
536.15015	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	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.2
60.35466	1.1
61.98690	3.9
63.92411	1.3
71.01245	2.3
71.08817	1.2
71.52197	1.4
84.66927	1.2
89.02321	1.7
92.39442	1.2
95.01215	1.4
97.54839	1.2
101.02313	1.7
108.02032	1.7
109.02859	2.6
123.00745	1.5
125.02318	2.4
140.53299	1.3
147.04402	1.4
151.00266	2.1
153.01726	1.2
159.04321	1.5
165.79604	1.2
177.01888	1.5
201.05389	1.4
205.01520	1.7
211.03960	2.0
216.87907	1.3
223.98502	1.1
227.03424	3.1
238.41092	1.2
241.05138	1.3
243.03014	1.4
255.03035	4.3
258.01788	6.4
259.02457	4.9
271.02423	12.4
272.03238	37.9
273.03656	4.9
283.02463	52.8
283.05634	2.7
284.03128	7.9
285.00687	1.9
285.04031	11.6
286.04785	14.4
287.01959	13.3
287.05090	2.5
288.02325	2.8
296.03094	1.5
297.04077	7.2
297.06845	1.3
299.01825	2.1
300.02505	1.4
301.03482	16.8
302.03940	1.2
304.02231	2.0
311.02078	2.5
312.02698	1.3
313.03549	12.2
313.10715	4.1
315.05197	1.7
325.03589	4.6
327.04987	3.6
327.08646	1.8
329.13766	2.1
329.53964	1.3
331.04517	5.1
340.02240	1.7
341.10345	1.4
343.04538	28.2
344.04916	2.9
347.49350	1.2
355.04599	3.9
369.09830	4.3
373.05649	28.6
373.12744	8.7
374.05734	3.3
385.05817	1.5
387.10846	1.9
397.09232	7.3
398.09644	1.8
399.10846	3.7
403.06769	7.9
415.10361	14.0
416.10556	1.8
421.07657	4.5
427.10367	6.8
437.06485	1.3
445.07709	5.1
463.08707	12.9
464.08438	2.0
517.13544	25.7
518.14008	3.8
535.14563	100.0
536.14880	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	535.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.4
61.00232	0.4
61.98686	0.7
62.21798	0.4
69.46529	1.4
69.46950	1.9
69.65044	0.5
71.01227	0.6
79.70116	0.4
82.95261	1.0
83.02380	6.2
85.02795	0.5
89.02299	0.5
95.01254	0.6
101.02344	0.9
108.02004	0.4
109.02821	3.1
123.00905	0.5
124.90020	0.5
125.02307	0.6
127.56568	0.4
135.04395	0.5
144.19856	0.4
144.38873	0.4
149.02319	0.6
151.00223	1.4
160.05363	0.5
161.02295	0.6
163.00279	0.6
177.01849	0.5
227.03485	1.1
229.04953	0.6
235.02428	0.5
241.04982	0.9
243.02937	1.5
244.03699	1.0
255.02960	0.8
256.03665	0.8
257.04532	1.5
258.01669	5.2
258.04617	0.7
259.02393	6.0
269.04535	0.6
271.02460	11.9
272.03247	44.1
273.03726	5.2
283.02518	3.5
284.03180	3.3
285.00427	3.0
285.04022	10.3
286.04776	17.9
287.01996	15.2
287.05237	1.9
288.02289	1.0
293.04700	0.5
295.06091	0.7
297.04031	5.7
298.01160	1.1
298.04483	1.5
299.01755	1.3
299.05075	0.5
300.02737	1.5
301.03519	15.7
302.03943	2.1
304.02277	2.7
311.01889	2.6
311.05304	0.7
312.02621	1.8
313.03537	14.4
314.03958	2.1
315.05087	1.6
325.03442	1.3
325.07141	1.2
325.10562	0.9
327.05133	4.7
327.08664	0.7
329.03214	0.5
330.03705	1.0
331.04700	0.8
339.05066	0.5
339.08762	1.1
340.02231	3.1
340.09344	1.5
341.02838	1.1
341.10287	0.8
343.04562	37.0
343.11557	1.4
344.04977	3.5
354.03238	0.6
355.04578	4.1
355.08069	0.7
355.11960	1.4
357.06033	1.2
369.09839	3.0
370.03345	1.8
373.05600	38.2
374.05902	4.8
385.05609	1.4
397.09415	5.1
399.10938	2.0
403.06781	0.6
415.10580	6.0
416.10883	0.7
420.07196	0.9
421.07520	0.6
427.10727	4.4
428.10815	0.6
439.10385	0.6
445.07651	4.5
445.12167	2.4
456.06876	0.4
463.08832	11.8
464.09256	1.9
517.13550	11.9
518.13898	1.9
535.14557	100.0
536.14832	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	533.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46336	1.0
59.01252	100.0
61.59827	0.9
71.52326	1.3
78.95772	2.2
97.85149	1.0
105.92683	1.0
124.37753	1.1
166.41689	1.1
194.55263	1.2
196.89481	1.0
199.13400	2.0
220.93590	1.0
302.32742	0.9
365.26959	11.7
366.27460	2.2
419.29047	1.0
515.34229	1.3
533.28491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76947	0.2
59.01251	100.0
60.01585	1.1
61.98705	0.4
70.08891	0.8
78.95789	0.5
98.91005	0.2
152.99532	0.7
162.92119	0.3
163.22095	0.3
294.49799	0.3
309.44846	0.3
365.27109	1.0
379.97903	0.3
473.36276	1.3
533.30963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
60.01576	0.4
61.01675	0.4
61.98702	100.0
63.55929	0.3
69.06528	0.3
69.33640	2.7
71.01259	2.0
73.02834	0.8
75.00761	0.8
85.02835	0.4
89.02322	1.2
98.19813	0.5
99.54742	0.3
101.02338	1.3
103.03889	1.1
104.03449	0.3
110.94302	0.3
119.03456	0.6
125.02377	0.6
126.02650	0.5
148.05238	0.6
149.05698	0.3
157.93768	0.3
163.06094	0.5
164.06380	0.3
165.06584	0.4
171.74521	0.3
180.86298	0.3
188.04716	0.5
219.02934	0.4
229.01334	1.5
230.02361	0.3
231.02820	0.4
243.02898	1.7
244.03654	2.3
256.03674	0.3
257.00821	0.6
258.01718	1.1
259.02524	0.9
271.02512	2.8
272.03250	6.3
274.01260	0.3
280.25940	0.4
286.25882	0.3
287.02087	1.0
288.02579	0.7
289.03244	0.7
299.02017	0.9
300.02731	3.0
304.02344	1.0
308.10840	0.4
315.01352	0.4
316.01999	0.4
330.03729	2.7
343.04575	0.4
373.05731	0.4
383.11514	0.6
402.05646	0.5
415.10400	2.7
420.06882	4.2
436.05948	1.5
437.06805	0.5
445.11581	0.6
463.09290	1.0
503.15692	0.4
517.13684	1.1
534.13593	1.8
534.29596	0.9
535.14502	7.1
535.31311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59930	0.9
57.03313	2.7
58.00465	1.7
59.01251	100.0
61.98693	3.3
66.11530	0.9
69.03313	2.9
69.48584	7.2
71.01257	27.5
72.99178	2.5
73.02824	6.5
77.50544	1.1
81.03347	1.9
83.01251	4.4
85.02821	9.3
87.00742	9.1
89.02304	3.5
90.28435	1.1
95.01240	2.6
97.02839	5.7
98.20534	1.8
99.00750	1.9
101.02308	11.0
112.01559	2.3
113.02354	7.6
119.03310	1.1
124.01562	11.4
125.02364	10.0
127.11156	1.8
143.03368	3.8
161.04347	1.6
241.21686	1.7
269.21268	9.0
285.20703	1.2
287.22278	52.6
288.22571	4.5
299.22278	2.4
301.23740	1.9
303.84952	1.0
312.94482	1.1
329.23328	3.0
401.25391	2.2
413.25375	5.2
431.26486	48.8
432.26874	7.7
449.21210	1.3
449.27567	28.2
450.28110	4.9
473.27521	56.2
474.27802	8.3
491.28607	71.2
492.28922	12.1
533.29578	65.9
534.29706	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	533.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.6
63.85647	0.3
65.73244	0.2
70.38365	1.0
76.17912	0.3
78.95779	7.2
78.96218	0.4
82.44228	0.3
83.04933	0.4
84.07851	0.3
85.06464	1.8
95.70485	0.2
98.99734	0.3
110.98415	5.1
110.99152	0.4
113.37820	0.3
139.96378	0.2
152.99478	0.5
155.14310	0.4
165.12755	1.0
167.01060	2.7
181.12277	0.5
185.02136	5.1
199.13338	13.2
200.13704	0.8
212.74641	0.3
261.18533	0.7
279.19641	10.0
280.19968	1.0
303.27023	0.3
347.25897	8.0
348.26324	1.1
363.25455	0.7
365.26956	100.0
366.22617	0.4
366.27304	14.8
533.28827	15.8
534.29254	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03595	0.7
53.43039	0.7
55.94898	0.7
57.03317	1.7
59.01243	2.2
59.52659	0.8
60.30537	0.8
62.80537	0.6
69.20874	7.4
71.01252	2.9
74.36848	0.8
81.03365	0.7
85.02826	13.1
87.00764	6.8
87.64203	0.8
93.03325	3.9
101.02280	0.8
106.47495	0.8
109.02824	1.2
127.03874	2.2
129.01811	2.8
137.86037	0.8
141.51875	0.8
147.02882	1.7
148.94859	1.5
173.04488	1.5
190.95988	1.0
191.01961	2.4
191.05544	100.0
192.05867	4.3
347.25262	1.1
508.31796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05406	5.5
60.72165	5.3
65.00195	4.7
71.51807	7.8
85.02802	5.4
89.92838	4.5
109.02842	10.6
111.00761	6.1
112.04277	4.6
121.02795	6.0
123.00763	6.7
125.02344	8.4
127.03862	4.8
134.02391	7.8
137.02328	16.9
141.01784	9.7
148.03851	5.0
148.68542	5.8
151.00322	12.0
153.01831	11.6
162.01828	5.5
163.03917	5.1
164.03391	7.6
165.01808	13.3
176.03487	7.8
177.01947	6.1
178.99852	5.9
183.02950	6.4
190.01312	7.0
193.01378	8.9
205.01266	9.2
206.00905	13.7
206.04526	16.0
209.00842	15.4
273.00198	6.4
287.01822	12.4
289.03177	5.6
301.03488	8.1
317.02850	7.8
326.09006	8.1
327.03830	8.2
329.05222	7.5
352.06903	8.8
374.05188	7.9
395.04865	6.8
413.05991	14.9
436.06393	6.9
437.07202	8.0
475.07785	10.3
493.09039	12.7
506.09573	8.2
515.09253	31.4
516.09302	5.6
533.10425	100.0
534.10724	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	533.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.7
59.01249	2.7
67.01730	0.9
71.01250	3.4
71.50732	1.0
72.99185	0.8
73.02836	0.7
80.38676	0.6
83.01276	0.7
85.02823	12.8
87.00755	9.5
88.26333	0.6
89.02320	0.7
93.03325	4.1
101.02325	0.8
103.34923	0.6
103.85697	0.5
111.00742	1.0
111.04419	1.2
115.00288	1.8
127.03893	2.5
129.01820	3.5
147.02875	2.4
148.94876	1.7
164.72552	0.5
171.02902	1.5
173.04482	1.4
190.95972	0.8
191.01981	4.6
191.05539	100.0
192.05865	2.8
212.15685	0.7
258.62897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98688	3.5
74.91483	1.1
78.95761	1.2
137.69479	1.2
220.19940	1.2
259.70331	1.1
264.91589	1.1
279.23245	4.4
280.44360	1.3
363.13727	1.3
414.54379	1.2
540.98352	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	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.4
57.03304	0.7
58.00460	0.3
59.01246	7.9
61.98684	0.7
69.21015	1.7
71.01252	5.7
72.99173	0.2
73.02803	0.8
83.01241	0.4
83.04900	0.2
85.02822	1.7
87.00764	0.9
89.02319	5.6
95.01240	0.4
97.06436	0.3
101.02319	6.0
113.02319	2.5
113.09597	1.7
119.03375	1.4
134.09090	0.2
143.03392	0.7
161.04463	2.7
163.09117	0.2
165.34109	0.2
171.10168	1.7
177.12746	0.4
179.05525	1.2
179.14308	0.7
181.12262	0.5
195.13838	15.3
196.14252	1.2
233.22774	0.4
235.08235	0.3
253.09251	25.9
254.09644	1.5
275.20291	0.2
277.21722	14.3
278.22034	1.6
293.21167	0.6
294.21698	0.5
295.22763	100.0
296.23114	11.4
323.74136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
55.30134	0.1
57.03321	0.7
58.00475	0.3
59.01249	7.2
61.98700	0.2
67.13364	0.1
69.03352	0.1
71.01253	4.7
71.52284	0.1
72.01575	0.1
72.99181	0.3
73.02822	0.9
75.00734	0.1
75.94473	0.1
83.01247	0.6
83.04879	0.2
85.02824	1.3
87.00747	0.7
89.02315	5.1
91.03899	0.2
95.01259	0.4
97.02840	0.1
97.06483	0.2
99.00742	0.2
99.08041	0.2
101.02322	5.8
102.02694	0.1
113.02331	2.5
113.09612	1.4
114.09933	0.1
119.03383	1.3
121.71932	0.1
125.02267	0.1
125.09710	0.1
131.03363	0.3
133.04988	0.1
143.03410	0.7
149.04449	0.2
161.04468	3.0
162.04903	0.1
169.12273	0.1
177.12791	0.4
179.05542	1.0
179.14342	0.9
180.14729	0.1
181.12248	0.4
195.13835	14.7
196.14183	1.1
233.22720	0.2
235.08171	0.2
251.23781	0.3
253.09256	25.2
254.09605	1.7
259.20523	0.2
275.20047	0.2
277.21716	12.9
277.41318	0.1
278.22028	1.5
293.21274	0.2
294.21512	0.3
295.22766	100.0
296.23117	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	531.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
55.89474	0.3
57.03321	0.7
57.66754	0.3
58.00467	3.5
58.12079	0.3
59.01250	73.0
60.01581	0.6
61.98701	0.7
65.21255	0.2
69.03332	0.7
69.20686	2.8
71.01253	54.8
72.01600	0.7
72.99175	3.9
73.02818	19.1
74.03167	0.3
75.00746	0.3
81.03335	0.3
83.01239	0.9
85.02821	6.1
87.00750	1.2
89.02316	100.0
90.02610	1.3
95.01270	1.0
97.02825	1.5
99.00756	34.3
100.01110	0.7
101.02321	38.6
102.02682	0.7
113.02328	11.7
115.03869	0.6
117.01856	0.3
119.03389	7.3
125.02332	4.9
128.33141	0.2
131.03397	18.0
132.03752	0.6
143.03433	2.1
149.04457	65.2
150.03758	0.4
150.04773	2.1
153.69771	0.3
161.04457	3.0
179.05560	2.1
191.05537	15.5
192.05887	0.7
221.06598	3.1
233.06645	0.7
251.07657	4.7
252.08020	0.4
283.02563	0.4
293.08810	0.9
311.09860	0.8
313.53635	0.3
328.76590	0.3
531.28107	13.7
532.28503	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	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01760	0.8
57.03321	2.4
58.00468	1.0
59.01251	14.7
61.98696	2.1
66.74338	0.7
67.01765	1.0
68.66768	0.6
68.99694	0.7
69.03326	1.0
69.33041	6.0
70.52322	0.6
71.01254	20.8
72.99181	6.6
73.02812	1.5
75.00745	18.7
78.95801	1.2
83.01254	0.8
85.02824	27.4
86.03159	0.6
87.00748	9.6
89.02331	7.3
93.52199	0.6
94.43692	0.7
95.01279	6.2
95.34531	0.7
99.00758	9.9
101.02352	1.6
103.00235	3.4
105.33707	0.6
111.00760	1.2
113.02330	34.9
114.02651	1.1
115.00272	2.2
117.01814	2.8
129.01834	2.0
131.03362	1.1
157.01392	1.7
175.02406	4.7
193.03493	0.9
205.07115	2.7
207.05208	0.6
223.08199	1.5
231.05153	1.1
249.06194	6.6
253.09286	1.4
255.23215	5.7
267.07196	9.5
277.21710	1.9
279.23291	76.0
280.23663	8.4
293.21286	4.2
335.00677	0.7
480.31006	2.9
511.29233	2.4
529.30157	100.0
530.30487	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	531.2809
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01761	4.3
57.03329	5.2
58.00460	2.8
59.01250	75.8
60.01569	1.0
61.98695	5.0
69.03319	1.2
69.20091	2.7
69.20505	5.6
71.01252	100.0
72.01579	2.1
72.99170	4.4
73.02818	33.8
74.02321	1.1
75.00748	3.1
81.03297	1.0
83.01260	9.8
83.04893	0.8
85.02823	33.0
87.00752	5.3
89.02316	54.6
95.01270	5.5
97.02833	4.9
98.20575	1.7
99.00758	20.8
99.05522	1.3
101.02322	55.0
102.02689	1.1
111.00772	1.8
113.02322	30.8
114.69437	0.8
115.03916	2.6
119.03398	10.2
125.02354	8.4
128.03435	4.9
129.01825	1.3
131.03400	10.6
143.03384	6.0
143.04504	4.5
149.04457	24.4
153.29208	0.8
159.02942	4.4
160.00555	1.1
161.04460	34.6
167.04568	0.8
175.02423	1.0
177.03313	1.1
179.05652	4.4
191.05603	6.1
205.03508	1.7
210.08907	1.3
221.06631	1.2
233.06586	4.6
234.47224	0.8
236.89008	0.8
251.07710	2.2
251.86172	0.9
254.07864	1.9
272.08887	3.5
284.03033	0.9
293.08755	3.2
306.07648	5.7
332.62881	1.1
341.19928	1.4
399.23907	20.2
400.24146	3.0
444.37085	0.8
473.03220	0.8
473.23914	5.6
487.25476	2.7
488.25922	0.9
513.26984	2.0
531.28119	88.5
532.28558	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83128	0.2
55.01751	0.3
57.03320	2.6
58.00453	0.2
59.00954	0.4
59.01249	6.4
67.02644	0.1
69.03323	0.2
70.54259	0.4
71.01252	4.0
71.04885	0.2
72.99171	0.3
73.02811	0.6
83.01252	0.5
85.02828	1.2
87.00728	0.5
89.02308	3.4
95.01283	0.4
97.06465	0.5
99.00785	0.2
101.02325	4.6
109.06461	0.6
112.45679	0.2
113.02332	2.0
113.09608	10.5
114.09914	0.3
115.03852	0.2
117.84691	0.2
119.03393	0.8
121.10102	0.3
125.09579	0.3
131.03401	0.2
132.48734	0.2
133.05054	0.2
135.11621	0.2
139.11185	0.9
149.09572	0.3
155.10741	0.2
161.04443	1.7
163.11163	0.2
165.12796	0.2
167.10680	1.6
171.10187	0.6
177.12753	0.5
179.05540	0.6
179.10728	1.5
179.14314	0.2
183.13812	1.9
195.13838	2.4
200.34663	0.2
211.13353	0.7
223.13307	0.5
223.16969	0.2
231.21111	0.3
235.08253	0.5
235.16995	1.4
249.22180	1.3
253.09254	18.2
254.09526	0.8
275.20145	3.9
276.20453	0.5
291.19629	0.4
292.20074	0.4
293.21213	100.0
294.21552	10.2
391.36588	0.2
529.29913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.3
57.03316	2.1
57.13808	0.2
59.00954	0.3
59.01248	6.1
61.98703	0.2
67.27649	0.2
69.03294	0.2
71.01250	4.9
71.52161	0.2
72.99158	0.3
73.02812	0.6
80.88441	0.2
83.01264	0.4
83.04883	0.2
83.57179	0.2
85.02820	0.9
87.00761	0.5
89.02315	3.6
91.03870	0.2
91.17182	0.2
95.01243	0.4
97.02795	0.2
97.06468	0.4
101.01619	0.2
101.02312	4.5
102.49152	0.2
109.06477	0.7
111.08061	0.2
113.02319	2.2
113.09604	10.4
114.09914	0.2
119.03355	0.9
121.10071	0.3
125.09573	0.4
126.14156	0.2
127.11169	0.5
135.11632	0.3
139.11198	0.9
143.03394	0.3
149.09596	0.5
153.09117	0.2
153.12758	0.3
161.04443	1.9
163.11131	0.3
167.10677	1.5
171.10132	1.0
177.12776	0.6
179.05495	0.8
179.10728	1.5
182.10555	0.2
183.13826	1.9
191.09967	0.2
195.13829	1.9
196.14258	0.2
207.10219	0.3
211.13324	1.4
223.13297	0.4
235.08154	0.5
238.96599	0.2
249.22197	1.5
250.22508	0.4
253.09262	18.6
254.09616	1.2
264.32440	0.2
265.21725	1.7
275.20111	2.9
291.19574	0.9
292.19974	0.9
293.21210	100.0
294.21536	10.2
340.01288	0.3
529.29932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87360	0.3
58.05201	0.3
59.01252	8.1
71.01253	5.9
73.02812	0.8
76.32155	0.3
83.01230	0.4
85.02813	1.3
87.00739	0.8
89.02318	4.9
91.03914	0.3
95.01270	0.4
96.55360	0.3
96.97180	0.3
98.20568	0.7
100.84873	0.3
101.02314	6.0
113.02335	3.1
114.16620	0.3
119.03392	1.4
143.03416	0.5
145.20187	0.3
161.04466	2.9
179.05548	1.0
179.14291	0.9
195.13847	9.3
196.14447	1.5
205.12230	0.7
205.16017	0.5
223.13327	6.0
228.13612	0.8
249.22171	0.4
253.09258	28.8
254.09560	1.7
256.13126	1.2
265.21716	0.6
275.20108	4.6
276.20480	0.7
286.26785	0.3
293.21219	100.0
294.21573	10.6
351.45749	0.3
492.22055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
59.01250	6.5
69.48666	1.6
69.61044	0.3
70.95497	0.2
71.01248	5.1
73.02826	0.6
75.00731	0.4
83.01274	0.5
85.02814	1.0
87.00743	0.7
89.02314	5.7
91.46478	0.3
95.01263	0.4
101.02316	5.8
106.33459	0.3
111.08038	0.4
113.02337	2.7
119.03370	1.7
125.02312	0.3
131.03400	0.4
132.83623	0.3
143.03378	0.7
161.04471	3.3
167.10609	0.3
179.05566	1.4
179.14308	0.9
195.13847	9.2
196.14468	1.6
205.12263	0.6
223.13354	5.4
224.13783	0.3
228.13647	0.7
235.08118	0.3
249.73283	0.3
253.09261	30.9
254.09573	1.8
256.13171	1.3
265.21689	0.8
275.20157	5.6
276.20447	0.7
293.21225	100.0
294.21552	10.7
492.22186	0.7
521.62402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03322	4.2
58.36736	0.7
59.01248	14.3
61.98711	3.6
69.03336	1.1
71.01254	20.2
71.51706	1.1
72.99179	7.0
73.02824	2.3
74.62731	0.9
75.00749	20.0
80.24638	0.9
81.03322	0.8
83.01270	0.9
84.02026	0.8
85.02827	23.3
87.00742	6.7
89.02322	5.7
95.01271	6.0
96.06012	0.6
99.00755	11.6
103.00243	3.9
111.00797	0.9
113.02332	37.9
114.02673	0.9
115.00255	2.0
115.06046	0.7
117.01849	3.5
128.90413	0.7
129.01834	2.7
133.06044	0.7
145.64946	0.6
157.01373	1.4
175.02480	4.1
205.07135	3.7
223.08305	1.2
225.55470	0.8
226.71205	0.7
231.05058	1.3
249.06149	11.0
267.07153	9.9
277.21716	59.3
278.22009	6.6
291.19678	4.0
433.84183	0.7
458.74075	0.7
467.26862	0.7
509.27310	3.3
527.28638	100.0
528.28986	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03324	6.1
58.00468	0.2
59.01253	6.1
61.98716	0.2
66.23739	0.1
67.01753	0.3
69.03315	0.3
69.26300	0.1
71.01254	3.5
71.04882	0.3
71.52200	0.2
72.01534	0.2
72.99181	0.2
73.02814	0.5
78.95774	0.1
83.01250	0.6
83.04911	0.8
85.02837	0.8
87.00734	0.5
89.02314	3.1
91.03874	0.2
93.03336	0.3
95.01254	0.3
95.04904	0.2
97.02824	0.2
99.00743	0.3
101.02328	3.7
107.04926	0.2
107.92834	0.1
109.06458	0.8
111.08030	0.2
113.02330	1.9
119.03362	0.9
121.10111	0.6
125.09608	6.1
126.09930	0.3
127.07554	0.3
135.08035	0.6
136.68510	0.2
137.09599	0.1
139.07590	0.3
143.03366	0.5
145.04947	0.1
149.04353	0.2
149.09634	0.1
151.11182	1.5
153.09093	1.1
159.56841	0.2
161.04469	1.4
163.11221	1.9
165.09160	1.0
165.12752	0.4
174.01671	0.2
175.11128	0.4
179.05505	0.6
179.14365	0.6
181.12270	1.8
186.51372	0.1
191.14398	0.3
193.16022	0.2
203.04861	0.1
203.56216	0.1
224.09511	0.2
235.08134	0.5
247.20639	3.1
248.20959	0.3
253.09264	16.2
254.09692	1.0
273.18619	0.9
291.19656	100.0
292.19989	10.6
309.20673	0.3
354.29840	0.2
407.05246	0.1
527.28888	1.2
528.28546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
58.00463	0.2
59.00953	0.3
59.01250	6.3
69.03319	0.4
69.21764	1.7
71.01253	4.8
73.02812	1.0
83.01245	0.5
83.04898	0.5
85.02809	1.3
86.75198	0.2
87.00748	0.7
88.75259	0.2
89.02315	3.6
93.06982	0.2
95.01263	0.4
95.04904	0.5
97.06453	0.4
99.00790	0.3
101.02320	4.9
102.02700	0.2
106.04128	0.2
109.06524	0.4
111.08041	5.2
113.02325	2.1
113.09581	0.4
118.89619	0.2
119.03409	0.9
121.10124	2.1
123.08024	0.3
125.09607	2.4
127.11180	0.5
129.16774	0.2
133.05011	0.4
137.09662	0.4
139.11124	0.3
141.09033	0.2
141.12732	0.3
143.03448	0.4
144.92207	0.2
149.09538	0.3
151.11180	0.3
153.09193	0.2
153.12770	0.4
161.04486	1.6
163.11137	0.3
165.12810	0.4
167.10721	0.9
171.10234	0.2
175.02533	0.2
177.12752	1.3
179.05537	0.5
179.10754	0.9
185.11742	2.2
193.15988	0.3
195.13837	3.1
197.11786	0.4
203.14360	0.5
209.11760	0.2
211.13339	0.5
223.13191	0.2
229.19548	0.4
235.08264	0.6
245.19156	0.2
247.20662	2.2
248.20934	0.3
253.09271	17.1
254.09599	1.0
263.20172	2.3
264.20557	0.2
273.18625	2.9
274.18808	0.3
291.19656	100.0
292.19992	10.9
435.67126	0.2
472.42694	0.2
527.28558	5.2
528.28796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
57.03324	1.2
58.00449	0.2
59.01248	5.7
60.53483	0.1
61.98692	0.4
69.03324	0.4
70.43710	0.5
71.01251	4.4
71.04897	0.3
72.99162	0.2
73.02814	0.8
81.03284	0.2
82.53231	0.1
83.01259	0.3
83.04880	0.4
85.02796	0.9
87.00758	0.7
89.02309	3.6
93.06966	0.6
95.01244	0.3
95.04906	0.3
97.06474	1.0
99.00743	0.3
101.02322	4.4
103.49451	0.1
109.06407	0.1
111.08041	1.7
113.02328	2.4
113.09566	0.2
119.03383	1.0
121.10113	6.8
122.10423	0.4
123.08057	0.8
125.02377	0.2
125.05935	0.2
125.09608	4.6
126.09935	0.3
139.11250	0.2
141.12753	0.7
143.03409	0.5
147.08049	1.0
149.09570	0.2
151.11150	0.2
161.04468	1.5
163.11130	0.2
165.12669	0.2
167.10577	0.3
171.10182	0.3
177.12738	0.6
179.05490	0.5
179.10669	0.3
182.56490	0.2
185.11755	10.0
186.12100	0.6
193.15907	0.2
195.13843	1.3
197.11740	2.0
209.11757	1.2
211.13342	1.1
213.14725	0.2
223.13304	0.5
225.11171	0.2
235.08208	0.5
247.13367	0.3
247.20654	1.1
253.09254	16.6
254.09642	0.9
273.18582	1.2
274.18808	0.3
289.18405	0.4
291.19644	100.0
292.19983	11.3
451.17010	0.2
511.40710	0.2
527.28497	2.9
528.29108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
57.03314	0.2
58.00467	0.2
59.01249	4.8
59.96580	0.1
61.98685	0.1
65.88274	0.1
67.01787	0.1
69.03296	0.1
70.63393	0.1
71.01253	3.8
72.92799	0.1
72.99191	0.3
73.02821	0.6
75.76644	0.1
76.67876	0.1
80.02544	0.2
81.03311	0.1
83.01246	0.5
83.04903	0.2
85.02828	1.0
87.00752	0.6
89.02315	3.4
90.02641	0.1
91.03874	0.2
93.03347	0.1
95.01265	0.3
95.04900	0.3
97.02831	0.1
97.06451	0.2
98.19906	0.1
99.00745	0.3
99.04375	0.1
101.02322	4.0
102.02633	0.1
106.04103	0.1
107.04877	0.1
109.06491	0.3
111.04404	0.1
111.08038	0.1
113.02332	1.8
113.05952	0.2
114.02615	0.1
118.44734	0.1
119.03393	0.9
119.04909	0.1
121.06505	0.1
121.10094	0.3
123.08064	0.1
125.02315	0.2
125.05965	0.3
125.09608	0.3
129.01775	0.1
131.03368	0.2
133.05014	0.1
135.25594	0.1
143.03371	0.3
148.08836	0.3
149.04442	0.1
149.09616	0.1
150.10408	0.3
151.11157	0.1
161.04472	1.8
161.09604	0.3
162.10371	0.3
163.11206	1.6
164.11725	0.1
165.12764	6.9
166.13072	0.5
167.14336	0.2
171.10051	0.1
175.11203	0.2
176.11951	0.2
177.12793	0.5
179.05507	0.5
179.14339	1.3
180.14819	0.1
185.11795	0.4
189.12784	0.3
191.14304	0.3
193.12148	0.1
193.15900	1.1
194.16182	0.1
197.11769	0.1
205.15977	0.1
209.11781	0.8
217.15932	0.2
219.17497	0.2
221.11737	0.2
223.13324	1.1
224.13783	0.1
229.19594	0.2
235.08231	0.3
235.13409	0.1
245.18893	0.1
247.20648	5.9
248.21045	0.7
253.09261	17.7
254.09583	1.0
255.17397	0.1
263.20163	0.3
264.20346	0.1
273.18610	2.4
274.18839	0.2
276.33215	0.1
291.19650	100.0
292.19986	11.1
349.39426	0.1
527.28137	0.4
527.72675	0.1
528.28473	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43604	0.3
55.01757	0.4
57.03313	1.2
59.01250	5.2
61.98697	0.9
62.30326	0.3
67.01733	0.3
68.18027	0.3
69.03318	0.4
71.01257	4.5
71.04877	0.3
71.53091	0.3
71.72125	0.2
72.99178	0.3
73.02821	0.7
82.69214	0.3
83.01263	0.5
83.04896	0.5
85.02825	1.0
87.00739	0.8
89.02316	3.4
93.03312	0.3
93.07011	0.5
95.01286	0.3
95.44936	0.2
97.02779	0.3
97.06467	1.1
99.00759	0.3
101.02319	4.0
109.06454	0.3
111.04451	0.4
111.08039	2.1
113.02348	1.8
119.03410	0.6
121.10122	5.9
122.10477	0.3
123.08064	0.7
125.09618	4.0
127.07560	0.3
137.09599	0.4
141.12843	0.4
143.03383	0.6
147.07977	0.6
147.87817	0.3
161.04492	1.7
165.12764	0.3
167.10683	0.3
171.10103	0.4
177.12778	0.4
179.05505	0.6
179.10748	0.4
185.11757	8.6
186.11996	0.3
195.13814	0.9
197.11804	2.0
203.14468	0.3
205.12772	0.3
209.11827	1.0
211.13336	1.1
215.68159	0.3
223.13351	0.7
232.95218	0.3
235.08075	0.5
237.59663	0.3
247.13455	0.4
247.20657	1.1
253.09251	15.9
254.09573	0.8
263.20175	1.9
273.18658	1.8
283.02301	0.4
289.18124	0.7
291.19656	100.0
292.20007	11.0
292.23325	0.4
472.74649	0.3
527.28168	3.4
528.28955	0.4
553.88062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56173	0.2
51.00829	0.3
59.01247	0.5
61.98684	1.2
62.19972	0.3
65.00204	0.7
66.30938	0.2
71.00555	0.5
71.01248	0.6
75.00745	1.6
79.01777	0.5
81.03320	0.6
83.01247	0.6
93.03333	7.5
97.02835	0.9
103.01771	2.5
105.03356	0.9
107.01273	0.4
109.02818	0.3
117.03323	2.5
121.02830	1.2
123.04427	0.7
125.02319	2.6
131.01280	12.0
131.25092	0.2
132.01604	0.7
135.04414	1.1
137.02339	3.1
139.03821	0.3
145.02887	0.7
147.00789	0.4
148.01462	0.3
149.02344	5.8
151.00305	1.3
159.04427	0.8
161.02345	3.7
162.02719	0.3
163.00226	0.8
165.01811	1.0
167.03419	1.6
169.06512	0.3
173.02368	0.9
173.06009	0.5
175.00288	27.8
176.00604	1.5
177.01816	0.4
189.01883	0.4
193.01360	4.3
194.01653	0.4
197.06050	0.6
201.05492	0.9
205.01393	0.6
211.03941	0.3
215.07095	0.7
217.01375	2.9
219.06670	0.3
223.02405	0.5
225.05441	0.9
227.03410	0.5
228.03667	0.6
241.05026	1.9
243.02911	0.3
243.06554	0.4
245.04526	2.6
249.18767	0.3
253.04689	0.5
255.02858	0.6
256.03244	0.9
257.04486	1.2
257.33810	0.3
259.02185	0.3
259.06113	0.5
269.04541	100.0
270.04883	9.7
271.02597	0.5
271.05991	0.5
283.02509	6.8
284.02811	8.8
285.03381	1.1
287.05600	16.5
288.05917	1.5
297.04028	0.4
299.01837	0.4
299.05582	1.0
311.05591	16.5
312.05859	1.8
317.06683	4.0
318.07108	0.3
371.07797	0.3
389.03735	0.5
389.08759	9.2
390.09091	1.0
403.06775	1.6
404.07007	5.3
405.06879	0.3
407.05258	0.5
407.09903	4.8
408.10233	0.3
408.40811	0.3
467.32364	0.4
481.62506	0.3
521.78113	0.3
527.10419	1.7
527.17340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70895	0.2
64.52775	0.2
69.18061	2.4
87.03442	0.2
94.67101	0.2
98.65563	0.2
109.02818	0.6
122.02372	1.2
148.01620	0.3
151.14061	0.3
155.04968	0.5
157.02757	0.3
159.04485	0.3
167.04918	0.4
171.04399	0.4
175.00266	0.3
183.04431	2.7
184.04745	0.3
185.02318	0.5
187.03900	0.4
195.04497	0.3
198.03204	0.3
199.03943	1.1
209.02361	0.4
210.03096	0.3
211.03957	3.6
212.04256	0.4
213.01772	0.3
226.02641	0.4
227.03458	7.0
228.03836	0.7
237.01906	0.5
238.02640	1.6
239.03479	1.6
253.01273	0.5
254.02203	1.5
255.02965	9.8
256.03384	1.1
258.01559	1.1
259.02423	1.1
266.02188	1.0
267.02878	1.0
268.03732	0.4
269.04276	0.3
271.02551	1.1
272.03174	0.9
281.04620	0.4
282.01736	1.0
283.02472	100.0
284.02832	9.0
285.00635	0.3
285.04013	1.7
296.03238	0.5
297.03967	0.9
298.01147	0.7
301.03531	0.7
313.03555	1.0
325.03525	4.2
326.04059	0.3
378.06180	1.3
403.06689	38.5
404.07016	5.3
406.05701	2.8
407.05917	0.4
526.09900	10.1
527.10315	1.7
527.86823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51520	0.2
55.26704	0.2
59.01237	0.4
61.98709	2.0
69.46428	1.3
71.01262	0.3
88.17430	0.2
108.02070	1.0
109.02845	4.1
115.98333	0.2
122.02390	1.5
123.00746	0.2
124.01532	0.3
125.02304	0.4
135.00797	0.4
137.02376	0.2
143.04924	0.3
146.34076	0.2
149.02367	0.2
151.00256	0.6
153.40002	0.2
157.06470	0.2
159.04445	0.3
163.00266	1.3
164.01083	0.4
171.04420	0.6
173.05986	0.4
174.03156	0.4
183.04428	0.9
185.02367	0.2
185.05954	0.4
187.03859	1.0
188.04692	0.3
189.05521	0.3
190.99783	0.9
191.03438	0.7
199.03966	1.0
201.01845	0.4
201.05513	0.5
202.02621	0.3
203.03442	0.5
211.03894	0.3
213.01971	0.3
214.02600	0.3
215.03442	4.2
216.03984	0.4
217.01416	0.7
217.04991	0.5
227.03452	2.0
228.04108	0.4
229.01341	0.7
229.04907	0.9
230.02119	1.2
231.02998	0.4
241.04980	0.4
242.02228	0.4
243.02977	4.9
244.03593	0.8
245.04440	0.8
255.03041	1.8
256.03500	0.3
257.04547	0.7
258.01694	25.5
259.02448	32.9
260.02844	2.3
267.03006	0.3
268.03827	0.3
269.04755	0.2
270.01559	0.7
271.02478	31.2
272.03226	27.6
273.03940	8.2
274.04333	0.6
283.02515	4.1
284.02786	0.8
285.04041	8.4
286.04208	0.6
287.01962	0.4
288.02408	0.3
295.02426	0.4
296.03189	0.4
297.04077	0.6
297.97971	0.3
298.01205	4.0
299.01926	1.7
301.03531	100.0
302.03857	9.4
304.02325	0.7
311.01944	0.6
311.05435	0.2
313.03543	5.7
313.07224	0.3
314.03897	0.4
315.05017	0.9
324.02914	0.3
325.03436	1.0
331.04587	55.0
332.04944	6.4
339.05017	0.8
343.04498	1.4
357.06055	0.4
361.05719	0.5
367.04575	1.8
385.05673	4.1
386.06281	0.4
403.06757	3.1
404.07077	0.3
489.39740	0.2
508.08878	4.4
509.09335	0.6
526.09900	23.6
527.10284	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	526.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.9
61.98706	1.8
65.00199	0.6
70.38970	0.8
70.39346	0.6
72.98852	0.4
72.99165	1.6
74.02354	0.4
75.00804	0.6
78.95845	0.3
81.03367	0.6
83.01277	0.4
93.03329	6.3
97.02869	0.5
99.00747	0.4
103.01818	1.5
105.03388	0.5
106.80781	0.3
107.01298	0.6
109.02863	0.5
117.03358	2.1
121.02847	1.1
122.02372	1.7
123.00841	0.4
125.02329	1.8
131.01286	9.6
137.02361	2.0
145.02898	0.4
148.01590	0.6
149.02348	4.3
151.00342	0.9
152.01167	0.3
155.04930	0.4
159.04477	0.8
161.02339	2.9
163.00310	0.4
165.01941	0.6
167.03435	1.4
167.04759	0.4
169.25949	0.3
171.04416	0.4
173.02426	0.5
173.06050	0.4
175.00290	18.2
183.04413	1.9
185.02345	0.5
193.01358	3.1
197.06038	0.4
199.03976	1.3
201.02002	0.4
201.05545	0.6
211.03963	4.0
213.05690	0.5
217.01312	2.1
225.05495	0.8
227.03461	5.7
228.03862	0.4
235.02336	0.3
237.01787	0.7
238.02715	0.9
239.03447	1.4
241.01292	0.4
241.05145	1.6
245.04576	1.8
253.04892	0.6
254.02219	1.1
255.02945	8.6
256.03384	0.7
257.04440	0.8
258.01663	1.8
259.02493	2.1
266.02014	0.8
267.02966	1.1
268.03690	0.5
269.04547	72.9
271.02524	2.4
272.03183	2.2
273.03653	0.4
281.04498	0.8
282.01813	0.4
283.02472	100.0
284.02838	10.0
285.03992	2.7
287.02493	0.5
287.05582	12.0
295.02435	0.4
296.03189	0.8
297.03946	1.6
298.01202	3.8
299.01859	0.7
299.05545	1.0
300.02768	0.9
301.03552	1.7
311.02319	0.4
311.05606	12.6
313.03543	2.0
315.05032	0.5
317.06754	3.3
325.03500	4.6
326.03653	0.5
367.04431	0.5
378.06155	0.8
385.05438	0.7
389.08768	7.3
403.06696	42.9
404.07019	5.5
406.05466	2.7
407.10034	3.2
463.08655	1.1
508.08871	0.4
526.02454	0.6
526.09943	10.0
527.10614	2.1
527.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91927	18.1
65.17616	20.3
69.03310	27.9
69.34827	55.5
69.35248	87.7
95.01244	20.0
97.02818	44.2
99.00708	43.0
109.02847	38.2
111.00735	82.1
113.02339	22.7
121.02800	24.5
122.02344	22.1
123.00723	38.2
123.08717	19.6
125.02355	61.7
127.00227	23.9
132.21709	17.6
134.02254	28.4
135.04407	31.0
137.02333	70.3
139.00301	45.8
141.01814	38.6
149.02345	37.2
151.00247	64.7
151.03944	25.2
153.01811	100.0
161.02325	35.5
162.01845	52.8
163.00250	31.3
163.03989	19.4
165.01810	80.1
166.99721	33.4
167.03354	41.0
169.01262	23.8
176.03377	27.8
177.01881	36.5
178.01337	22.4
178.22832	25.2
178.99792	38.3
179.03441	27.1
180.02986	27.4
181.01314	32.3
183.02866	37.9
189.01756	35.2
192.02902	23.7
193.01334	55.0
194.99054	18.2
205.01254	19.5
206.04472	44.6
209.00761	35.9
219.02892	25.7
221.00839	43.5
235.02434	31.5
237.16237	18.4
240.49193	18.5
242.78720	22.2
247.02380	24.2
259.02505	31.4
271.02365	24.0
273.00726	22.9
273.94608	24.2
275.01932	30.3
286.01138	20.6
287.01917	63.5
303.07266	22.0
327.03534	25.2
329.05145	26.7
332.75409	21.8
345.04791	26.4
374.05508	21.7
435.05432	22.7
437.07126	54.0
464.08112	26.4
485.47769	21.9
490.05872	24.9
492.07858	28.3
508.07034	40.3
526.08929	72.6
527.09674	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79920	0.4
59.01244	3.6
60.01573	0.4
61.98684	1.5
65.80656	0.4
70.06847	0.4
70.91776	1.0
71.01254	3.2
72.99166	0.5
73.02815	1.0
75.00743	0.7
78.95766	1.1
79.34423	0.4
82.49099	0.4
85.02809	1.5
89.02318	1.8
97.46286	0.4
99.00745	1.1
101.02334	2.6
102.01850	0.4
109.02842	2.6
113.02321	1.6
121.02822	1.1
121.28153	0.4
137.02354	0.7
149.04463	0.8
151.00253	0.7
161.02211	0.4
161.04526	0.8
163.00363	0.7
167.06380	0.4
168.42088	0.4
173.05861	0.4
181.34529	0.4
186.03180	0.5
189.99080	0.8
196.64099	0.4
199.04048	0.9
205.78893	0.4
211.03847	1.0
213.01942	0.6
213.05405	0.4
214.02673	1.0
215.03381	1.6
226.02664	1.7
227.03438	2.0
229.01439	1.1
229.05038	1.1
230.02179	0.6
241.05055	1.2
242.02151	8.6
243.02882	3.6
244.03499	0.8
247.06335	0.4
247.09605	0.5
254.02142	0.7
255.02957	2.4
257.00919	0.5
257.04507	1.4
258.01675	11.6
259.02405	11.7
260.02747	1.2
267.02908	0.9
268.03488	0.4
269.04504	0.7
270.01685	8.7
271.02451	17.5
271.05508	0.8
272.03229	11.7
273.03714	0.5
281.04553	0.7
283.02475	26.4
284.02936	2.6
285.00552	2.6
285.04007	22.5
285.07227	0.9
286.01593	0.5
286.04214	2.1
287.01880	2.5
288.02408	0.6
289.17926	0.5
295.02408	1.1
296.03214	1.2
297.03925	2.2
298.01175	51.2
299.01770	8.7
299.05542	2.9
300.02368	0.5
301.03528	1.2
311.01929	1.2
311.05597	1.2
313.03546	15.3
314.03891	1.4
315.05139	6.1
316.05344	0.7
324.02676	0.5
325.03516	2.7
329.02994	1.7
329.06476	0.5
337.03610	0.5
339.04993	1.7
343.04553	3.2
355.04514	1.6
357.06110	2.3
359.07739	4.0
361.29623	0.6
362.29962	1.5
367.04556	2.3
373.05392	1.3
385.05713	5.1
403.06671	100.0
404.07001	11.4
405.06161	1.4
435.06790	0.5
477.15768	0.6
481.37289	0.4
524.35406	6.5
524.85730	0.9
525.10364	27.7
525.35626	2.9
526.10760	5.1
526.18286	0.6
526.27435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56894	0.1
69.50462	0.3
69.50879	0.3
80.38263	0.1
109.02826	0.4
121.02839	1.1
128.55206	0.1
131.01273	0.2
133.02791	0.1
148.01585	0.3
155.04895	0.4
157.02834	0.1
159.04390	0.2
167.04904	0.3
171.04396	0.4
173.05884	0.2
175.00220	0.3
182.03647	0.1
183.04443	2.1
184.04840	0.1
185.02339	0.5
187.03928	0.3
195.04437	0.3
198.03180	0.3
199.03903	1.1
209.02327	0.2
210.03117	0.2
211.03951	3.0
212.04289	0.2
213.01857	0.3
215.03514	0.2
216.00563	0.1
220.16827	0.1
226.02681	0.3
227.03445	6.2
228.03757	0.4
229.05122	0.2
237.01939	0.5
238.02652	1.3
239.03412	1.5
240.04007	0.2
241.04979	0.1
242.02016	0.1
243.02983	0.3
253.01469	0.2
254.02155	1.2
255.02962	9.0
255.54335	0.1
256.03372	0.6
258.01697	1.1
259.02423	1.0
264.03922	0.1
265.01468	0.2
266.02191	0.8
267.02933	1.0
268.03558	0.5
269.04587	0.2
270.01486	0.1
271.02496	1.7
272.03149	1.4
273.03659	0.2
280.03595	0.2
281.01492	0.1
281.04517	0.5
282.01718	0.6
283.02460	100.0
284.02805	9.3
284.06082	0.2
285.04028	1.1
295.02570	0.3
296.03229	1.2
297.03983	1.6
298.01190	0.4
298.04333	0.1
299.02026	0.1
301.03488	0.8
308.03073	0.1
311.01981	0.3
312.02597	0.1
313.03522	0.7
324.02768	0.3
325.03503	6.0
326.00385	0.1
326.03778	0.5
337.03436	0.1
343.04691	0.2
348.06146	0.1
355.04529	0.5
359.05756	0.2
377.06622	2.1
378.07043	0.3
385.05722	0.4
403.06680	26.0
404.07013	3.6
405.06134	7.8
405.11563	0.3
406.06543	1.3
417.06015	0.5
435.07117	0.4
507.09454	0.3
525.10370	14.5
526.10736	2.6
526.16962	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21029	0.6
53.93499	0.6
55.01749	3.0
57.03082	0.7
57.03322	7.6
58.00470	1.3
59.01252	27.1
60.01570	0.6
60.08128	0.5
61.98698	3.4
62.69854	0.6
69.03321	1.1
69.26629	1.6
69.27045	4.1
71.01255	34.0
72.01595	0.6
72.99172	2.4
73.02816	9.0
75.00745	1.0
75.49633	0.6
78.95770	1.0
83.01253	5.3
85.02823	14.9
87.00745	2.4
89.02318	11.8
95.01270	4.3
99.00791	3.8
101.02324	23.3
103.03904	0.7
108.02122	0.6
111.00760	3.0
113.02326	11.5
114.94358	0.6
119.03414	5.1
119.04817	0.6
122.05978	1.6
125.02370	1.5
125.09650	0.7
129.01772	0.9
141.01802	0.7
143.03372	0.9
152.07060	4.2
155.02589	1.2
155.10599	0.6
159.02898	1.9
161.04501	3.9
171.13800	2.0
173.11758	1.8
173.66228	0.6
179.05548	0.7
185.15482	0.6
190.05037	0.8
199.13316	1.2
227.12785	1.9
239.11845	0.6
283.02423	0.7
283.10825	1.1
361.29605	22.7
362.30020	2.6
448.19315	0.7
492.17581	1.6
515.52185	0.7
521.85004	0.6
523.34857	100.0
524.20575	7.4
524.35138	15.4
533.49298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.4
55.51602	0.7
57.03329	3.6
58.00461	1.4
58.02847	0.7
59.01250	22.7
61.98695	3.0
69.03312	0.8
71.01254	32.1
72.99184	2.5
73.02827	9.6
73.03212	1.3
75.00741	2.7
83.01257	6.1
83.04900	1.7
85.02823	17.9
87.00755	2.5
89.02309	10.4
95.01268	3.0
97.02821	1.0
99.00752	4.1
100.97549	0.7
101.02323	28.1
102.01846	1.4
111.00759	3.0
113.02326	13.0
119.03387	4.6
121.02818	0.7
125.02338	0.7
129.01834	1.0
135.04414	0.6
142.21307	0.7
143.03444	0.9
159.02893	2.2
161.04474	5.4
179.05527	1.6
188.75682	0.6
198.61935	0.6
199.13345	1.0
227.12891	0.8
279.59790	0.6
313.23587	0.9
315.25443	2.2
324.26297	0.7
343.28607	0.8
359.27911	1.3
361.29556	24.7
362.29819	3.3
475.17758	2.1
523.34875	100.0
524.35327	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	523.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.4
55.27813	0.3
57.03325	1.8
58.00463	0.7
59.01255	12.3
61.45171	0.3
61.98679	0.6
63.96083	0.4
64.68501	0.3
67.01730	0.5
67.69863	0.3
68.99682	0.4
69.03320	1.1
69.46319	1.0
69.46745	1.5
71.01255	21.2
72.01575	0.4
72.99196	2.2
73.02821	4.5
75.00761	0.4
78.95752	0.4
78.98464	0.9
79.95609	1.5
79.97897	0.3
80.96393	11.5
81.03332	0.5
83.01257	3.3
85.02823	8.5
85.99957	0.9
87.00756	5.1
89.02313	2.8
91.03870	0.9
94.97968	2.7
95.01250	1.9
97.02824	1.4
98.20587	0.5
99.00774	2.0
99.08031	0.7
101.02320	10.1
106.97955	0.6
109.02832	0.8
111.00774	1.5
112.01539	1.0
113.02341	5.9
113.09607	0.5
119.03364	0.7
122.97465	1.3
124.01535	2.0
125.02338	3.2
127.11156	1.0
129.01840	0.4
129.09093	0.7
134.97488	0.6
141.12723	0.8
142.02649	0.6
143.03432	0.5
143.10732	0.4
148.99039	1.1
152.98514	1.0
153.01842	1.2
155.14378	0.4
161.04512	0.6
164.98558	1.7
188.72922	0.3
206.99547	0.6
223.13326	0.5
223.20746	0.4
225.00694	2.6
239.20139	0.5
241.21718	0.9
269.21198	6.4
270.21506	0.6
271.22827	0.7
285.20734	1.4
287.22278	58.6
288.22617	6.2
288.25690	0.5
299.22159	1.8
301.23837	1.1
329.23334	1.4
371.24469	0.5
431.26480	71.7
432.26852	10.2
449.27551	100.0
450.27887	16.6
523.18579	15.3
523.34888	1.0
524.19098	2.8
524.26324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01252	92.7
60.01585	1.5
61.98713	6.2
69.43391	9.5
71.01258	12.3
73.02808	4.0
74.19460	1.1
83.01258	3.4
85.02830	10.8
87.00764	1.9
89.02326	3.4
93.03340	1.6
93.27438	1.4
95.01279	2.0
97.02820	1.5
98.20627	1.8
99.00757	2.5
101.02313	8.3
105.19772	1.0
106.24596	1.1
111.00774	1.3
113.02345	7.8
115.03885	7.9
125.02364	1.7
137.02324	3.4
161.04475	2.1
167.03336	1.7
233.04469	1.2
241.05133	1.4
259.19144	1.6
269.01938	1.1
269.04599	4.2
287.05652	3.8
290.71909	1.2
299.05640	2.2
389.08786	3.4
403.10455	2.9
403.23355	3.6
407.09879	6.3
421.24493	2.4
445.24692	1.8
463.25516	18.2
464.25797	2.5
473.32309	1.2
481.26614	13.0
482.26801	2.0
491.77579	1.1
505.26471	1.2
523.15863	12.3
523.27649	100.0
524.15302	2.4
524.27997	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	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.25539	0.4
55.01756	2.0
57.03328	1.8
58.00473	1.9
59.01254	24.7
61.98706	1.1
71.01255	25.4
71.52471	0.6
72.99191	2.2
73.02815	4.9
73.03122	0.4
83.01262	4.6
83.01640	0.4
85.02822	9.5
85.03288	0.7
85.99948	0.6
86.65244	0.4
87.00753	2.7
88.98698	1.0
89.02321	8.2
93.03362	1.5
95.01252	2.2
97.02842	0.7
99.00748	2.2
101.02330	16.5
105.56825	0.4
108.02086	0.7
109.02843	6.3
111.00802	1.0
113.02334	7.1
119.03409	3.4
119.04952	0.5
121.02845	13.3
122.03638	12.2
123.04456	2.3
124.01549	2.0
125.02354	0.7
129.03384	0.7
134.03647	1.0
135.04413	2.8
136.05215	0.9
137.02336	3.8
138.50447	0.4
143.03462	0.6
146.03610	0.7
147.04424	9.2
148.05150	0.7
149.05997	1.6
150.03119	0.7
151.03796	0.5
153.01843	0.5
154.02597	2.0
159.03062	0.5
159.04480	0.8
160.05153	0.5
161.04665	0.8
161.06023	3.3
162.06717	1.0
163.03995	0.6
163.07523	0.6
164.04710	0.7
165.05486	31.4
166.05855	1.7
169.12173	0.5
173.06003	1.0
174.06783	0.5
175.07593	1.2
176.08228	0.5
177.05463	0.5
178.06238	0.6
179.03429	1.1
179.05499	0.8
179.07039	9.1
180.07495	0.5
185.11736	0.6
190.06325	0.5
191.07083	2.5
193.08516	0.5
199.13354	3.0
209.08195	0.9
209.11809	1.8
223.09679	1.4
227.12889	2.0
253.09335	0.7
260.97769	0.4
263.71558	0.5
269.56128	0.5
272.03290	0.6
285.03802	0.5
285.11197	0.7
287.05350	0.5
298.12149	1.6
299.12875	0.5
301.10858	0.6
313.10995	0.8
313.14240	2.8
315.12405	2.8
316.12982	1.3
328.13077	2.5
329.13757	1.2
331.15540	0.8
343.15527	5.4
346.14224	12.6
347.14749	3.6
348.15787	0.5
361.16568	100.0
362.16916	11.5
430.11185	0.5
475.25543	0.4
523.21826	99.6
524.22229	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	523.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80867	0.6
55.08871	0.6
57.03310	1.3
59.01255	7.6
61.98700	2.8
63.96120	1.2
64.86740	0.6
69.03306	1.8
70.90031	1.9
71.01257	13.3
73.02821	3.7
75.00743	1.3
78.95782	6.8
78.98460	4.4
79.95612	9.3
80.96392	62.8
85.02827	5.5
87.00748	3.9
89.02337	2.4
93.03323	1.2
94.97971	14.9
95.01244	0.9
96.95863	1.0
97.02830	2.0
99.00744	1.0
101.02321	6.4
101.42697	0.9
104.38071	0.7
106.97973	2.0
108.02068	1.3
109.02866	1.0
113.02316	3.2
119.03445	0.8
121.02845	1.0
122.97461	5.3
125.02323	3.1
127.03860	1.4
129.20575	0.8
134.97456	4.2
135.04385	0.9
136.99036	1.1
137.02353	1.3
139.40468	0.7
148.99068	6.0
152.98521	7.2
152.99557	1.1
154.21376	0.7
161.04446	1.1
164.98553	10.3
171.00600	1.0
182.99611	2.6
206.99609	4.1
223.13347	2.7
225.00713	16.5
243.01750	1.8
244.75145	0.7
253.09261	0.9
269.21310	1.4
287.16528	3.3
287.22226	8.6
299.04306	2.7
431.26486	19.1
432.26740	1.9
449.27585	19.1
450.27716	2.0
523.18530	100.0
523.35040	2.7
524.18793	15.8
524.26288	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	523.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
71.01242	1.8
71.22253	3.4
77.12712	1.5
83.67906	1.4
91.01536	1.5
109.02795	2.0
115.03182	1.7
115.03893	9.8
119.04922	7.7
121.02839	2.2
122.03555	1.8
129.03349	11.4
134.03659	12.8
135.04335	2.9
136.01532	2.7
137.02330	2.7
145.02832	3.7
146.03653	20.2
147.04420	71.7
148.04721	3.8
149.05983	21.8
150.03142	8.1
151.03931	2.8
159.04408	2.2
161.05975	12.2
163.03903	19.3
164.04713	25.4
165.05486	100.0
166.05823	3.4
175.03940	2.3
179.07069	55.8
180.07391	3.3
195.06552	2.4
201.40472	1.7
219.06598	11.1
241.05038	2.3
257.00598	2.0
268.07437	4.6
269.04443	4.3
283.09766	7.4
287.05627	6.1
299.05603	2.7
313.10837	24.6
314.10803	1.8
325.10754	7.3
327.10815	4.2
331.11862	8.2
341.10236	2.5
343.11868	8.1
344.12042	2.3
361.12927	14.3
389.08783	5.0
399.60776	1.6
407.09760	9.2
503.72726	1.7
523.14160	4.6
523.27466	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	523.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.3
57.03315	5.3
57.96644	1.2
58.00464	4.2
59.01250	59.0
61.98701	13.2
68.67296	1.3
69.03316	3.7
71.01251	59.5
72.99186	5.4
73.02821	19.2
73.61624	1.3
75.00755	2.3
76.07948	1.2
78.34263	1.3
81.03330	2.3
83.01258	7.4
85.02821	25.6
87.00751	3.2
89.02319	19.7
89.33415	1.3
90.69854	1.4
93.03358	1.3
95.01266	4.1
96.18468	1.5
97.02825	5.1
98.20591	3.2
99.00770	3.5
101.02323	40.6
103.03882	11.9
108.02076	2.3
111.00755	2.1
113.02322	14.6
115.03927	1.5
119.03409	11.5
119.04885	1.4
123.08055	1.2
125.02330	17.8
127.03906	2.5
135.04420	2.0
137.02321	1.6
143.03348	2.1
145.04950	2.7
152.07111	4.1
155.02589	37.4
159.02809	2.0
161.04459	6.4
163.06044	16.9
164.06342	1.7
199.13342	2.9
227.12910	2.4
241.74467	1.4
247.08197	5.5
284.74524	1.4
307.10306	19.0
308.10699	2.3
359.20877	1.4
361.29568	23.2
393.10468	1.4
440.44507	1.3
478.88058	1.6
522.33636	1.8
523.34857	100.0
524.19867	4.3
524.35229	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
61.98703	100.0
70.25211	0.7
70.25569	0.8
71.01241	0.7
78.95786	0.7
80.96397	0.3
89.02330	0.5
101.02318	0.5
166.30226	0.3
283.02524	1.0
287.16663	0.9
462.13925	0.4
468.02570	0.4
521.33051	0.5
522.33807	0.8
523.25488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89709	1.9
57.14949	1.8
58.82887	1.7
59.01241	8.6
60.59771	1.8
68.52385	1.9
69.82242	3.4
69.82584	10.3
71.01238	3.7
72.45239	2.2
80.61603	1.7
97.02776	2.6
115.03097	3.6
115.03886	51.3
116.04232	2.7
117.03403	2.0
121.02792	1.8
125.02318	3.6
126.14706	1.9
126.51498	1.9
135.04468	5.3
137.02336	2.5
139.03900	3.8
149.02328	5.1
151.78951	1.8
163.03923	2.3
163.24268	2.0
167.03415	10.2
173.05936	2.2
183.02771	2.1
189.74400	2.0
193.08292	2.1
197.04364	2.3
197.06041	4.3
212.18930	2.0
240.04173	2.2
241.05042	46.2
242.05333	4.3
259.06131	9.2
269.04541	94.0
270.04819	8.9
270.83252	2.0
272.03333	4.0
281.04419	4.4
287.05594	100.0
288.05936	9.1
299.05606	12.1
313.10773	4.8
317.06708	13.0
341.10123	4.8
353.06577	4.0
361.16330	3.3
371.07513	2.9
385.08966	3.3
389.08835	28.5
403.10440	31.2
404.10425	3.0
407.09872	38.9
408.10352	3.7
432.15311	3.5
433.11520	2.5
461.14612	2.8
505.13391	7.2
523.14746	18.6
523.27698	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	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02347	0.3
53.23641	0.3
57.11045	0.3
59.01253	3.3
61.98702	100.0
63.59868	0.3
69.59586	2.0
71.01256	0.6
75.07763	0.3
93.98852	0.3
116.77457	0.3
120.97755	0.3
134.61636	0.3
203.38620	0.3
215.11824	0.3
224.13737	0.4
225.13893	0.4
227.17807	0.3
276.99658	0.3
540.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62926	1.7
56.27665	1.7
57.03323	2.3
58.00462	2.7
59.01249	100.0
61.86603	1.7
61.98695	5.3
69.03326	2.4
71.01250	47.0
71.52338	2.3
72.99168	6.0
73.02817	18.7
75.00757	2.7
75.24480	1.5
82.24263	1.9
83.01256	6.9
85.02824	15.0
87.00771	8.3
87.04367	1.8
88.98673	3.5
89.02318	36.8
90.98455	3.5
95.01268	3.0
101.02322	50.5
102.11942	1.5
103.03902	12.1
109.02827	2.5
113.02322	13.0
115.03926	3.4
119.03391	13.6
125.02329	5.3
128.03323	1.8
131.03389	6.3
135.33473	1.7
139.22845	1.5
142.91797	1.5
143.03444	9.3
145.05005	2.5
155.51370	1.8
161.04390	3.5
163.06038	50.6
164.06358	2.0
179.05487	6.9
205.05298	1.8
205.07129	22.3
265.09183	3.0
285.20706	7.4
312.35107	1.6
315.18091	3.8
357.16373	1.8
388.83948	1.7
429.24884	6.0
439.66501	1.7
447.25797	13.6
461.23932	30.3
462.24237	2.7
514.21002	1.7
521.16321	2.0
521.32996	7.2
530.58130	2.1
543.25250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05960	0.8
55.01753	2.3
57.03309	2.1
58.00450	0.8
58.14222	0.7
59.01251	67.5
60.01583	0.7
61.98688	1.6
65.56081	0.9
69.03313	1.8
69.17903	4.3
69.18324	3.5
71.01253	50.8
72.01579	0.9
72.99174	2.4
73.02442	1.3
73.02821	17.4
75.00764	1.3
83.00806	1.0
83.01261	10.7
85.02828	22.6
87.00758	4.0
87.63090	0.8
89.02312	11.1
95.01247	4.3
97.02817	2.8
99.00763	6.9
101.02325	40.7
103.03889	4.6
109.02824	1.3
113.02334	17.8
115.03885	1.0
119.03385	4.7
121.02815	6.9
125.02312	5.2
143.03389	3.9
145.04909	0.9
159.02905	4.3
161.04460	28.4
162.04820	1.1
163.06047	5.8
179.05406	1.1
193.01370	0.9
205.03593	0.9
205.07133	2.5
229.07120	1.4
247.08269	1.2
307.10297	1.0
315.18115	43.8
316.18439	4.4
359.27948	1.3
401.12497	2.7
429.24921	1.3
447.25967	1.6
461.23926	100.0
462.24246	16.7
502.42609	0.9
521.17163	1.3
521.25800	1.5
521.33197	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48063	0.2
59.01259	1.6
61.98701	0.3
65.20753	0.3
67.29348	0.3
69.30235	2.6
71.01246	3.3
72.99163	0.5
73.02812	1.2
83.01284	0.3
85.02834	1.4
87.00736	0.4
88.86716	0.3
88.98691	0.8
89.02315	1.1
99.00751	0.7
101.02298	1.9
108.02042	0.4
109.02809	0.4
113.02351	1.5
121.02827	3.5
122.03643	1.6
123.00776	0.9
123.04443	0.4
124.01477	0.5
125.02348	0.5
131.04926	0.4
135.04428	0.3
136.05180	1.2
137.02412	1.4
137.05986	0.4
139.03880	0.3
139.10133	0.3
143.04890	0.7
146.03590	0.6
147.04390	1.8
149.02324	1.6
149.06085	0.4
150.03140	5.1
151.03845	0.6
153.05460	0.6
158.03685	2.2
159.03084	0.2
159.04417	8.0
160.05203	26.0
160.75334	0.3
161.04451	1.3
161.05974	8.2
162.03156	0.3
162.06383	0.4
163.03915	5.4
164.04686	4.8
167.03345	0.4
171.10104	0.5
173.05986	4.0
174.06718	0.4
175.07559	25.4
176.04715	0.6
176.07903	1.2
177.05501	7.7
178.06259	5.0
179.03412	0.4
179.06813	0.4
189.05518	0.4
192.07922	0.4
193.08623	2.6
194.08893	0.3
197.11755	1.8
227.85898	0.3
269.07913	0.3
272.03134	0.6
283.02606	0.7
285.13583	0.5
299.12961	0.5
301.03580	0.9
314.11417	0.9
329.13928	100.0
330.14270	12.0
334.30817	0.3
341.13977	0.3
359.11176	0.4
359.15018	2.1
389.21613	0.3
401.12283	0.4
403.06683	0.7
418.13022	0.3
475.05438	0.3
478.27948	0.4
521.12878	0.7
521.25714	2.3
522.24927	0.3
529.21985	0.3
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	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01745	1.6
58.00470	2.1
59.01252	25.2
69.39621	6.3
69.40028	1.5
71.00888	1.8
71.01253	19.2
71.01640	0.9
72.99168	2.2
73.02823	3.0
83.01258	3.9
85.02834	8.2
85.20017	1.1
85.99960	1.0
87.00757	4.0
89.02318	5.3
92.25367	1.0
95.01290	2.1
99.00771	1.7
101.02324	12.8
101.06593	0.9
109.02837	2.1
111.00773	1.8
112.34599	1.1
113.02325	4.4
119.03437	1.9
121.02856	5.3
123.51474	1.3
132.19595	1.1
145.02863	2.3
159.04475	1.9
168.28380	1.2
169.17484	1.0
224.04684	1.3
255.06230	1.1
267.06631	2.4
268.07336	4.1
269.08066	5.4
270.08804	2.4
272.03207	1.3
280.07413	2.3
281.08118	13.8
282.08875	4.6
283.09720	6.9
284.10147	1.6
293.08234	5.5
294.08829	2.4
295.09653	6.3
296.10550	2.9
297.11380	1.9
299.09213	4.9
311.09201	5.6
312.09775	1.5
313.10617	1.1
314.08133	2.4
314.11581	7.2
315.08832	1.3
315.12286	5.1
326.11600	15.3
327.12332	10.6
329.13943	10.1
330.13950	1.2
341.13974	10.3
343.11801	3.2
355.11813	6.6
369.13290	2.1
375.89581	1.2
385.15005	1.8
401.12640	2.0
445.15073	1.9
461.14136	1.3
473.14523	8.1
476.16772	9.8
477.16986	1.4
488.16898	8.7
491.19208	87.3
492.19611	14.3
503.19229	100.0
504.19470	13.4
521.26282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03316	1.3
58.00475	5.8
59.01251	100.0
68.66311	0.9
71.01254	70.7
72.99184	5.6
73.02808	1.9
82.25288	0.9
83.01289	2.5
85.02829	8.7
87.00755	3.8
89.02318	93.4
90.02673	2.0
93.03342	1.2
95.01263	5.0
97.02848	1.1
101.02328	43.6
102.02605	1.1
108.02055	2.7
109.02811	3.8
113.01522	1.6
113.02325	29.5
119.03393	44.8
121.02851	2.3
123.04411	2.6
129.07664	0.9
131.03397	4.5
135.19026	1.0
137.02333	1.8
143.03383	6.8
149.04439	3.8
159.04419	4.3
160.05211	6.9
160.06403	1.6
161.04422	6.3
165.01817	1.2
172.05194	3.5
173.05920	3.0
174.06520	1.1
175.07585	3.3
177.05380	1.4
179.05551	15.5
185.63835	1.1
187.07545	2.0
188.04713	1.3
189.05527	7.9
190.06308	7.9
204.31729	1.1
205.08653	7.7
243.02982	1.5
244.03793	1.5
259.57693	1.0
271.02472	3.0
272.03232	7.4
272.79639	1.1
281.08182	4.0
287.05542	1.4
296.10559	4.1
300.02783	2.5
301.03491	1.4
301.07150	1.1
311.12866	4.4
329.14063	1.9
330.03784	1.6
341.13947	32.4
342.14108	3.7
343.04385	1.4
401.08261	2.5
401.12976	1.8
420.06833	1.9
431.13205	1.8
468.32413	1.0
506.08661	1.2
521.13031	7.0
521.20142	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51950	0.2
57.03322	0.2
59.01252	2.8
60.45565	0.2
61.98705	1.1
64.68348	0.1
64.80630	0.2
69.40685	0.4
69.41091	0.9
71.01256	2.9
71.98088	0.2
72.99167	0.3
73.02819	1.0
75.00758	0.2
79.94820	0.1
83.01241	0.4
84.56792	0.2
85.02825	1.6
87.00744	0.5
89.02306	1.1
93.03335	31.5
94.03707	0.9
95.01275	0.3
97.02866	0.2
99.00754	0.8
101.02325	2.1
108.95636	0.2
109.02833	0.2
111.00777	0.2
113.02324	1.4
119.03406	0.3
119.04961	0.2
125.02291	0.3
129.01978	0.2
135.04268	0.2
137.02345	100.0
138.02675	3.8
143.03410	0.2
149.04504	0.3
161.04475	0.7
164.05028	0.2
179.03333	0.2
259.01984	0.2
269.10345	0.3
272.03110	0.3
301.03586	0.3
331.04568	0.3
359.27936	0.5
383.13504	0.4
401.14423	0.3
403.07205	0.2
421.07813	0.2
521.16840	2.8
521.25525	0.3
521.26807	0.3
521.33734	1.8
522.17505	0.4
522.34283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
65.03770	0.2
65.71786	0.2
69.47152	1.5
71.01237	0.5
72.99147	0.3
73.02822	0.3
83.50598	0.2
85.02817	0.4
89.47623	0.2
91.33813	0.2
96.95882	0.2
101.02312	0.3
108.02023	0.3
109.02837	0.4
109.76649	0.2
113.02269	0.2
117.05441	1.5
121.02791	0.5
137.02361	0.3
149.02281	0.3
150.03107	0.6
152.03392	1.0
153.03752	0.3
155.04944	0.6
157.02852	0.4
158.03648	0.3
159.03151	0.2
159.04478	1.0
159.05597	0.2
160.05206	2.7
161.05954	0.8
162.35030	0.2
163.03868	0.6
164.04674	0.5
167.04980	0.3
171.04413	0.4
171.10199	0.4
173.05971	0.5
175.00301	0.5
175.03967	0.2
175.07585	2.4
177.01750	0.2
177.05479	0.5
178.06258	0.4
183.04425	2.3
185.02336	0.2
187.03880	0.4
191.17270	0.2
193.08562	0.4
197.11732	0.3
199.03909	1.2
207.04585	0.2
210.17426	0.2
211.03929	3.2
212.04204	0.3
213.01802	0.2
215.03410	0.4
216.03598	0.2
225.01846	0.2
226.02560	0.3
227.03455	6.9
228.03806	0.4
237.01942	0.5
238.02669	1.5
239.03462	1.8
241.04939	0.4
243.02786	0.4
253.01439	0.3
253.09346	0.2
254.02145	1.2
255.02971	10.1
256.03317	1.0
257.04596	0.3
258.01697	1.5
259.02310	1.3
260.31519	0.2
266.02057	0.9
267.02966	1.3
268.03662	0.5
269.04501	0.4
271.02570	1.9
272.03207	2.2
273.03690	0.4
281.04428	0.5
282.01630	1.2
283.02469	100.0
284.02817	9.1
284.06033	0.3
285.04034	2.0
285.13361	0.4
295.02563	0.4
296.03235	1.1
297.04129	1.7
298.01239	0.9
298.04205	0.3
299.01840	0.3
299.05807	0.2
299.09210	0.3
301.03564	1.2
302.04187	0.3
311.01984	0.6
313.03506	0.8
315.05060	2.6
324.02786	0.3
324.99933	0.4
325.03537	5.1
326.03848	0.7
327.12509	0.2
329.10086	0.5
329.13931	8.4
330.14349	0.8
331.04523	0.9
336.85910	0.2
343.04703	0.6
355.04553	0.9
359.15143	0.6
373.09241	0.6
385.05823	0.4
401.08719	7.0
402.09137	0.7
403.06689	25.5
404.06995	3.1
413.08514	0.4
431.09805	0.6
431.88593	0.2
503.11682	0.4
521.13019	19.9
521.21124	0.9
522.13348	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	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.6
60.99179	3.1
61.98710	1.3
67.60772	1.1
70.78316	1.1
71.01246	3.6
71.51479	1.5
79.89930	1.1
80.52477	1.1
85.02811	1.7
88.98676	24.9
89.02303	1.2
93.03331	8.9
101.02357	2.1
108.02052	4.9
117.03285	1.5
117.05465	1.6
123.04433	2.5
125.02313	1.2
128.03445	1.1
137.02342	24.9
151.03841	1.1
152.01071	13.5
152.02203	1.7
152.21315	1.1
153.01685	1.3
158.86308	1.2
163.03952	1.6
167.02184	0.9
167.03413	24.2
171.10229	1.3
183.04376	1.9
191.03380	3.8
197.11815	1.8
199.04073	1.2
200.91736	1.1
209.04439	1.4
211.03923	3.3
227.03432	5.6
233.04387	1.1
238.02475	1.8
243.02985	2.2
255.02966	10.2
258.01596	3.1
259.02338	3.3
271.02390	5.9
272.03250	12.9
273.03708	1.4
283.02493	100.0
283.05908	4.2
284.02832	10.9
285.03940	2.5
297.04089	1.6
298.01233	2.1
300.02573	2.6
301.03522	7.1
311.05573	8.1
312.05817	1.5
313.03421	3.0
325.03467	3.0
330.03967	1.2
331.04468	4.1
353.08600	3.0
359.11176	1.3
385.05865	2.1
401.08548	8.6
403.06708	43.8
404.06888	5.0
420.07034	1.9
431.09848	17.0
432.10068	1.9
521.13080	30.1
521.20569	1.8
522.13043	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	521.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
61.98722	0.6
71.00098	0.9
71.01247	1.4
73.02816	28.1
74.03168	0.5
75.00749	0.9
83.37504	0.4
87.00740	0.6
89.02327	1.3
91.09753	0.4
99.00761	3.3
101.02325	1.0
109.02856	0.7
113.02339	0.8
115.19600	0.4
115.48030	0.4
117.01820	47.7
118.02171	1.0
119.03416	0.5
125.02357	0.5
132.02013	0.4
135.04353	0.7
136.01465	0.5
137.02356	1.0
149.04443	0.6
151.00352	0.4
151.03802	0.6
152.01089	0.5
167.03360	0.5
182.78123	0.4
183.04411	2.0
192.80731	0.5
199.03922	0.9
204.06627	0.8
211.03967	3.2
227.03426	6.0
229.04919	0.6
237.01646	0.5
238.02666	1.1
239.03430	1.3
243.02956	0.5
254.02051	0.8
255.02983	5.9
256.03397	0.6
258.01633	1.6
259.02426	4.2
266.01880	0.5
271.02539	4.3
272.03116	2.8
273.04028	3.8
283.02463	100.0
284.02780	8.2
285.04117	1.4
296.03387	0.6
297.03882	0.5
297.12302	0.9
298.01147	1.1
301.03537	22.5
302.04050	2.5
311.09335	0.4
313.03580	1.8
323.07944	0.6
325.03467	2.9
331.04584	12.1
332.05042	1.0
339.12350	0.5
340.12567	1.1
355.13028	1.5
399.11905	1.7
401.04977	0.6
401.13278	0.6
403.06659	44.3
404.07031	5.8
421.07739	39.5
422.08115	4.6
431.14600	4.3
432.14609	0.8
461.15402	0.7
471.31100	0.5
512.04144	0.5
521.08514	2.6
521.17340	1.2
521.25378	0.6
522.09827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.3
60.29783	1.7
60.99178	14.2
64.95570	2.2
71.01256	6.1
71.17957	2.2
72.99188	3.0
73.38966	1.7
83.12775	2.2
85.02835	2.8
87.00754	3.0
88.98680	100.0
93.03344	8.2
99.00777	2.7
101.02316	2.8
108.02042	9.2
109.93574	1.8
117.03390	4.2
118.97991	2.9
123.04375	3.6
125.02370	2.4
128.48724	1.9
137.02371	14.3
142.40057	1.9
147.04347	3.5
147.74879	1.8
149.02281	2.4
150.57047	2.3
152.01079	21.4
153.01842	2.3
160.62799	2.0
161.02399	1.9
163.03886	3.7
167.03419	41.6
168.03568	2.5
171.10144	3.7
179.03403	1.9
191.03490	4.9
197.04907	2.1
197.11816	5.3
211.04028	3.7
227.03368	5.9
243.03032	3.8
253.09364	2.2
255.03011	7.9
258.01654	3.0
259.02423	2.4
271.02512	7.1
272.03271	12.7
273.03812	2.7
283.02521	90.2
283.06042	15.7
284.02789	8.0
284.06113	2.5
285.03839	3.6
294.02615	2.3
300.02673	2.7
301.03482	6.5
311.05597	32.4
312.02640	2.1
312.06006	4.0
313.03494	2.7
325.03397	3.9
330.03619	2.1
331.04263	2.5
341.06650	4.3
353.08621	6.8
401.08810	10.4
403.06668	29.5
404.07327	2.9
404.76489	2.2
421.07260	2.5
431.09814	45.1
432.09906	7.1
487.92242	2.1
520.24658	3.2
521.13141	36.1
521.21539	5.3
521.25397	6.2
522.13312	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	520.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.8
61.98701	100.0
70.04050	0.8
70.52356	0.2
71.01268	0.4
80.95336	0.1
89.02312	0.3
93.03365	0.3
99.00773	0.2
103.97138	0.2
113.02318	0.2
113.10390	0.1
135.04448	0.6
136.04741	0.2
137.02347	0.8
138.02701	0.2
143.04570	0.2
177.12796	0.2
179.03412	0.9
180.03748	0.4
181.03981	0.2
239.05701	0.3
240.06113	0.3
252.79884	0.2
308.07449	0.2
401.12198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.2
60.50448	0.2
62.96262	0.3
64.43005	0.1
70.80618	0.3
71.57917	0.2
78.95773	43.9
96.96840	5.9
96.97321	0.1
104.39296	0.2
111.00712	0.2
125.09544	0.2
150.97899	1.5
152.99486	100.0
153.99825	1.9
171.00549	4.2
240.02693	0.2
279.23288	1.2
433.23578	23.6
434.23911	3.7
520.26849	3.8
521.27173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
65.11121	1.3
90.90003	1.1
94.80364	1.3
98.19828	3.0
113.81882	1.3
120.37056	1.1
183.67410	1.4
221.89900	1.7
246.91257	1.3
408.32837	1.5
537.10687	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	519.1871
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.43275	0.3
54.43731	0.3
57.03307	0.4
59.01254	4.4
61.98706	0.5
68.99696	0.3
70.85239	0.8
71.01257	5.1
71.69933	0.3
72.99194	0.3
73.02831	0.7
83.01269	0.8
85.02825	1.8
87.00749	0.4
89.02315	3.6
93.03322	0.9
95.01286	0.5
99.00771	0.7
101.02319	1.9
108.02108	1.4
109.02859	0.8
111.92914	0.3
113.02356	2.3
119.03411	0.9
121.02849	5.1
122.03635	2.8
122.75997	0.3
123.00785	0.5
123.04409	0.9
124.01526	0.7
125.02355	0.3
133.02826	0.3
134.03636	0.9
135.04387	0.6
136.01566	73.0
137.02005	2.5
143.03421	0.4
147.04456	0.3
149.06038	0.6
151.03918	100.0
152.01067	0.8
152.04257	4.7
156.70114	0.3
159.04466	0.8
160.05185	1.6
161.02335	1.0
161.04430	1.5
161.05751	0.4
162.03188	1.3
163.03914	1.1
167.03445	0.7
175.03912	0.7
175.07584	1.5
176.04622	0.4
177.01952	0.3
177.05499	0.9
179.03435	0.6
179.05559	0.4
188.04852	0.5
189.05618	0.4
194.21422	0.3
195.13881	0.4
203.07060	0.5
221.11810	0.4
239.12939	0.6
241.05125	0.5
286.93933	0.3
311.12943	0.6
339.12332	0.6
342.11108	4.6
343.11423	0.8
357.13437	81.1
358.13779	11.3
358.18222	0.7
399.10703	1.1
458.41843	0.3
458.49841	0.4
519.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00116	0.5
58.37280	0.5
59.01249	100.0
60.01591	1.2
61.98699	1.9
70.92178	1.7
71.01254	13.8
72.99194	1.0
73.02814	12.0
74.03188	0.5
83.01270	2.8
85.02807	3.2
89.02320	7.2
97.02890	0.6
101.02320	18.2
111.00774	1.1
113.02337	8.6
119.03360	3.2
125.02317	0.9
131.03404	1.4
137.02347	1.0
143.03442	2.3
149.04489	1.8
161.04460	6.5
171.10188	9.4
179.05611	1.4
207.04393	0.5
212.70374	0.6
221.06635	0.9
223.22392	0.6
243.03024	1.8
271.02548	1.7
272.02835	0.9
299.02161	0.7
397.09387	2.6
397.22101	0.8
427.10608	1.2
517.13196	3.0
517.30182	2.6
518.13495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.3
55.57574	0.1
57.03329	0.1
58.00468	0.2
58.01583	0.1
59.01250	4.5
60.01570	0.1
69.03293	0.1
70.84568	0.1
70.84973	0.1
71.01252	4.0
72.01600	0.1
72.99191	0.3
73.02814	0.9
83.01247	0.6
85.02817	1.0
87.00746	0.5
89.02318	3.1
90.02648	0.1
91.03879	0.2
92.26052	0.1
95.01247	0.3
97.02834	0.1
99.00745	0.2
101.02321	4.0
102.02670	0.1
103.03854	0.2
113.02331	1.9
115.03890	0.1
119.03394	1.0
121.19150	0.1
125.02306	0.1
129.83597	0.1
131.03368	0.2
133.04941	0.3
143.03352	0.4
149.04393	0.1
157.04938	0.1
161.04465	1.5
179.05560	0.5
187.06018	0.1
235.08228	0.9
253.09261	13.8
254.09583	0.8
281.24841	100.0
282.25189	11.5
367.97522	0.1
375.28580	0.1
375.73569	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.0
57.03315	4.9
59.01254	57.8
69.03327	5.1
70.23326	7.0
71.01255	66.7
72.99184	41.5
73.02817	29.4
83.01262	3.6
85.02823	56.6
87.00748	42.3
89.02322	32.9
95.01273	13.3
96.96869	2.4
99.00773	10.5
101.02322	41.9
103.03858	2.8
113.02331	100.0
115.00262	4.9
119.03395	24.8
125.02383	4.2
129.01828	20.0
131.03394	41.3
141.01906	2.2
149.04341	2.5
150.76253	2.3
157.01355	18.3
161.04445	9.3
175.02390	97.5
176.02663	2.8
179.05524	23.2
186.47862	2.6
291.76050	2.5
293.08783	77.1
294.09174	3.9
337.07776	69.2
338.08173	3.7
369.00290	2.6
517.14075	82.9
518.14551	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60680	1.0
57.03327	1.5
58.00486	1.0
59.01252	100.0
61.98700	3.6
65.84499	0.9
69.03339	1.1
69.49786	6.0
71.01254	20.0
72.99180	1.2
73.02818	6.5
83.01228	2.3
85.02830	5.5
87.00742	1.0
88.88712	0.9
89.02318	19.9
92.51809	1.2
97.02846	2.2
99.00755	6.9
101.02327	14.5
103.03950	1.1
109.02820	1.3
113.02361	6.1
119.03386	2.1
125.02345	3.3
131.03416	3.4
143.03380	0.9
149.04466	10.4
159.02936	0.9
161.04454	5.0
163.11186	1.0
181.02684	0.8
191.05576	3.2
205.12326	4.5
223.13472	1.1
233.06654	1.0
269.10327	9.1
385.18405	1.0
397.14978	7.7
415.16077	20.3
416.16403	1.8
457.17126	1.4
517.22845	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	517.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.0
57.03315	4.9
59.01254	57.8
69.03327	5.1
70.23326	7.0
71.01255	66.7
72.99184	41.5
73.02817	29.4
83.01262	3.6
85.02823	56.6
87.00748	42.3
89.02322	32.9
95.01273	13.3
96.96869	2.4
99.00773	10.5
101.02322	41.9
103.03858	2.8
113.02331	100.0
115.00262	4.9
119.03395	24.8
125.02383	4.2
129.01828	20.0
131.03394	41.3
141.01906	2.2
149.04341	2.5
150.76253	2.3
157.01355	18.3
161.04445	9.3
175.02390	97.5
176.02663	2.8
179.05524	23.2
186.47862	2.6
291.76050	2.5
293.08783	77.1
294.09174	3.9
337.07776	69.2
338.08173	3.7
369.00290	2.6
517.14075	82.9
518.14551	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.0
59.40855	0.1
61.98689	0.3
69.03332	0.3
71.01250	2.6
71.09174	0.4
73.02821	0.4
74.02347	0.3
75.00745	0.2
81.03340	0.3
83.01237	0.1
85.02835	0.4
87.84499	0.1
89.02314	2.5
89.03803	0.2
91.05398	0.2
93.03341	0.1
97.02837	0.4
99.00758	0.5
101.02313	0.8
107.04929	1.0
113.02332	0.4
115.03923	0.2
117.03338	0.5
118.97990	0.1
125.02351	1.3
128.03444	0.6
131.03387	0.3
132.02057	0.4
133.02815	0.4
134.03638	4.0
135.04413	91.8
136.04749	4.9
137.02301	0.2
143.03459	0.2
143.04463	0.7
146.04478	0.2
148.05196	1.2
149.04453	0.5
149.05962	0.2
160.00439	0.2
160.01590	2.5
161.02362	0.7
161.04520	0.1
163.07539	0.4
175.03915	1.9
178.02576	0.3
179.03415	100.0
180.03749	5.3
191.05502	0.3
193.04927	0.7
210.08760	0.1
233.06560	1.0
243.02895	0.2
254.07690	0.1
256.03751	0.2
271.02444	0.2
272.03290	0.4
272.08920	0.3
283.02475	0.3
288.06647	0.2
293.08804	2.1
297.04047	0.3
306.07617	1.4
323.07733	0.2
325.03354	0.2
325.07132	0.2
329.40533	0.1
337.09277	1.2
341.08667	0.4
397.09198	1.3
427.10165	0.9
517.13483	1.8
518.13513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27941	41.4
85.66489	3.8
95.01218	5.9
99.00784	4.7
109.02844	5.1
113.30946	3.9
124.01640	4.7
125.02328	5.6
132.33081	4.4
133.27600	3.9
137.02348	9.3
141.01855	5.9
151.00240	13.3
160.03972	5.5
161.06023	4.4
162.90799	4.2
163.00232	8.6
165.01891	6.9
176.03398	8.8
181.01279	4.5
190.01378	16.3
193.01353	14.4
205.01328	6.2
206.04587	10.1
218.04637	4.6
223.02487	9.2
232.02362	7.2
243.02962	5.5
259.02374	9.6
271.02502	13.0
272.03207	11.5
273.04016	6.1
274.01154	5.5
275.02103	4.7
285.00406	4.1
287.01865	12.9
298.03836	5.2
300.02643	5.6
301.03500	9.8
310.03629	7.4
317.03070	12.4
339.03699	6.7
352.06726	9.6
358.05676	12.8
369.04791	8.9
370.05396	8.9
379.05600	8.5
382.05322	4.8
397.06812	24.8
398.06375	5.9
421.07895	6.1
427.07861	9.4
437.07236	20.9
459.07709	5.8
477.08978	10.1
490.09698	5.0
499.09702	29.9
517.10974	100.0
518.11334	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	517.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02882	0.9
59.01254	20.9
59.95488	0.9
61.25658	1.0
61.98706	8.5
70.42965	3.0
70.43330	2.0
71.01257	7.6
72.99194	1.3
73.02818	2.9
74.02344	2.3
85.02826	3.0
89.02315	5.9
98.19949	1.4
99.00768	1.2
99.05539	1.8
101.02346	5.2
103.03899	1.2
108.02024	1.4
109.02816	3.8
109.36649	1.1
113.02329	2.6
116.37509	0.9
125.02342	3.4
128.03401	4.9
134.03580	2.2
135.03418	1.9
135.04424	32.2
135.05452	2.1
136.04730	2.4
143.04491	5.2
148.05188	3.6
151.00276	1.9
160.00664	1.8
163.06090	1.5
167.04703	1.0
179.03418	35.2
179.04939	2.2
180.03772	1.1
210.08858	1.5
211.04031	1.2
217.54312	0.9
227.03487	1.7
239.03477	3.8
240.03990	1.3
243.02980	4.8
244.03735	1.5
245.08127	1.3
253.05205	1.4
254.07903	1.6
255.02998	4.3
256.03748	5.6
258.01642	3.4
259.02423	7.9
270.01715	1.2
271.02524	15.0
272.03253	30.1
272.08990	2.8
273.03574	3.0
283.02478	16.4
284.03180	5.1
285.04086	6.0
286.04474	3.3
287.02103	2.0
293.04492	1.2
293.08633	1.2
295.02704	1.2
296.03156	1.9
297.04047	36.6
298.01175	4.9
298.04510	5.6
299.01932	4.3
299.05075	1.0
300.02457	1.2
301.03531	1.7
304.02167	2.0
306.07703	14.4
307.10309	1.2
309.03970	2.7
311.02011	30.7
311.05569	3.3
311.09171	1.3
312.02710	11.2
313.03369	2.7
323.01797	1.3
323.05469	2.3
324.02750	2.1
325.03516	5.2
325.07108	3.1
326.04178	1.5
326.08005	1.1
327.08670	5.8
330.03986	1.5
337.03436	1.9
339.08722	8.7
340.02216	22.4
340.09219	3.3
341.02737	3.2
341.10373	2.2
353.03058	1.2
353.10510	2.7
354.03613	1.5
355.08209	6.8
367.08136	5.4
368.08963	4.1
369.09741	17.5
370.03278	24.8
370.10080	2.2
371.03674	3.1
379.08621	1.2
381.09845	2.7
382.03516	1.2
397.09271	81.5
398.09595	12.7
399.10953	12.4
400.11221	2.7
409.09399	2.6
411.10843	1.7
412.04218	1.3
427.10315	73.5
428.10684	9.3
439.10056	2.7
457.11996	1.5
460.06418	1.5
469.11252	1.8
499.12466	18.6
500.12485	2.2
517.13507	100.0
517.29785	3.0
518.13861	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
55.32927	0.1
57.03313	0.1
58.00476	0.3
59.01248	4.6
60.01566	0.1
61.98685	0.1
69.03307	0.1
71.01253	3.9
72.99180	0.2
73.02816	1.0
81.03353	0.1
83.01257	0.6
84.85628	0.1
85.02823	1.1
87.00742	0.5
89.02315	3.1
91.03883	0.2
95.01273	0.3
97.02837	0.1
99.00766	0.2
101.02322	4.5
102.02625	0.1
102.87535	0.1
103.03864	0.1
108.68477	0.1
113.02334	1.8
115.03867	0.1
119.03389	1.0
125.02313	0.2
131.03386	0.1
133.04941	0.3
137.82768	0.1
143.03394	0.4
143.42282	0.1
145.04999	0.1
149.04457	0.1
157.05037	0.1
161.04466	1.6
177.29623	0.1
179.05522	0.5
196.55196	0.1
235.08211	1.2
239.91135	0.1
253.09262	14.1
254.09583	0.9
261.22217	0.3
279.23276	100.0
280.23621	11.0
309.88782	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01246	2.8
61.98704	100.0
64.49319	0.7
78.95789	1.3
87.00751	1.2
111.00780	5.7
113.26823	0.7
145.74304	0.9
162.44000	0.8
183.12173	0.8
216.61710	0.7
229.55748	0.8
291.19574	0.9
468.52875	0.9
476.91086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
61.98704	100.0
62.98388	0.2
64.42871	0.1
76.07229	0.1
93.96364	0.1
132.16501	0.1
151.13358	0.1
153.38850	0.1
175.83286	0.1
203.99750	0.1
225.26509	0.1
232.81351	0.1
237.01021	0.1
403.48792	0.1
409.37674	0.1
452.33804	0.1
453.33530	0.2
454.33871	0.5
514.32672	0.1
515.17889	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95773	3.1
59.01252	32.3
67.48824	2.8
71.01249	30.3
71.51295	5.7
72.99191	3.2
73.02816	10.1
83.32378	3.0
85.02836	5.4
89.02305	30.7
93.03333	29.7
93.44448	3.4
99.04380	3.7
101.02315	16.3
111.00832	4.8
111.04407	11.2
113.02319	13.6
119.03373	8.9
128.98337	3.5
131.08170	3.4
137.02341	8.5
142.99777	12.0
155.03424	3.6
158.15416	3.4
161.04462	5.8
172.06087	4.4
173.00882	4.7
173.04465	73.2
173.09195	7.8
179.05504	22.3
185.68623	3.6
186.68338	3.2
228.15536	3.4
264.70474	3.2
289.68857	3.5
309.87338	3.6
320.30084	3.7
341.10867	100.0
342.11124	8.9
347.04871	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03314	0.2
58.00463	0.3
59.01250	6.1
60.01599	0.1
69.03305	0.1
71.01254	4.9
72.01600	0.1
72.99181	0.3
73.02820	1.0
73.57873	0.1
73.62164	0.1
75.00756	0.1
78.03171	0.0
81.03321	0.1
82.31477	0.1
83.01259	0.5
83.04861	0.1
85.02826	1.2
87.00742	0.5
89.02315	3.7
91.03902	0.1
95.01267	0.4
97.02823	0.3
98.20589	0.1
98.43074	0.1
99.00751	0.2
101.02325	4.5
102.02679	0.1
103.03876	0.1
105.25607	0.0
113.02332	2.0
114.02657	0.1
115.03867	0.1
119.03396	1.0
125.02319	0.2
127.03883	0.0
131.03337	0.1
133.04965	0.2
143.03430	0.4
149.04488	0.1
157.04991	0.1
161.04463	1.5
162.04849	0.1
179.05522	0.6
207.15138	0.1
235.08215	0.9
253.09264	14.1
254.09593	0.7
261.22141	0.3
279.23279	100.0
280.23621	11.3
293.24765	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03325	0.1
58.00467	0.4
59.01249	6.1
69.21589	1.2
69.21983	0.2
71.01250	4.6
72.01590	0.1
72.99178	0.3
73.02823	0.8
83.01262	0.5
83.04877	0.2
85.02821	0.9
87.00748	0.7
89.02316	3.1
90.17220	0.1
95.01250	0.3
97.02825	0.2
99.00757	0.3
101.02320	4.2
102.78891	0.2
113.02332	2.2
115.03832	0.2
119.03376	0.9
121.16174	0.1
125.02335	0.1
127.07558	0.2
131.03342	0.2
133.04950	0.2
137.83220	0.2
143.03394	0.5
157.04985	0.2
161.04456	1.8
177.16504	0.1
179.05624	0.6
212.29205	0.1
233.22823	0.2
235.08209	1.0
236.08391	0.2
253.09259	16.7
254.09657	0.9
259.20584	0.3
275.20074	0.3
277.21704	100.0
278.22043	11.1
287.16586	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
57.04562	0.4
59.01243	4.4
61.98703	100.0
71.01256	2.3
71.51687	0.4
72.20468	0.4
73.02824	1.8
78.95780	0.5
83.01264	0.5
85.02820	0.9
85.05585	0.4
89.02334	1.2
96.96832	0.5
98.02364	0.6
99.04379	2.3
101.02345	2.5
113.02341	0.8
119.03402	0.6
120.99561	0.8
125.02375	1.1
128.03432	0.4
137.02257	0.4
143.03391	0.6
143.10693	0.5
144.11031	0.7
161.04427	0.6
168.00623	0.5
172.33553	0.4
239.61655	0.4
262.05600	0.4
281.04559	0.5
283.02548	0.4
301.03677	0.5
395.07874	2.8
420.19696	0.7
425.08713	1.1
442.08792	0.5
483.45355	0.5
496.20581	0.5
514.21912	1.5
515.11761	0.9
515.28754	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	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.6
59.01252	68.5
60.01584	0.7
61.98727	0.7
66.03627	0.5
71.01253	8.2
72.99197	1.1
73.02842	0.7
78.95787	1.2
79.72779	0.6
85.02827	2.9
87.00743	0.6
89.02315	5.1
95.01270	1.6
99.00773	1.2
101.02322	5.5
102.02676	0.6
113.02332	7.0
119.03367	3.6
131.03398	1.0
143.03461	0.5
149.04422	1.2
150.10486	0.9
161.04440	1.9
161.05676	0.6
163.11238	1.3
165.12762	14.4
166.13235	0.7
247.20645	6.1
248.20950	0.9
273.18750	3.6
274.18784	0.8
277.18085	1.3
287.20041	1.0
291.19669	100.0
292.20007	11.5
305.21198	3.3
333.20779	4.3
338.70129	0.6
345.20557	0.9
512.72546	0.7
513.26270	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	513.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80559	0.1
52.06349	0.1
55.01740	0.5
55.95090	0.1
57.03296	0.1
58.00462	0.3
59.01252	6.9
60.01564	0.2
71.01250	5.2
71.29092	0.2
72.99177	0.3
73.02817	1.2
83.01260	0.6
83.04898	0.3
85.02825	1.3
87.00740	0.6
89.02317	3.6
91.03889	0.2
95.01262	0.7
97.02847	0.2
101.02328	4.4
113.02330	1.9
116.50635	0.1
117.21543	0.1
119.03414	0.9
125.02374	0.3
127.07581	0.3
133.04956	0.4
143.03419	0.3
157.05084	0.2
161.04486	1.6
179.05489	0.5
198.26637	0.1
233.22791	0.3
235.08110	1.0
253.09268	16.0
254.09634	0.6
259.20596	0.2
275.20044	0.3
277.21716	100.0
278.22052	9.5
285.54428	0.2
295.67001	0.1
356.83478	0.2
470.17398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2109
Annotation	3,7,4'-Trihydroxy-3'-(8''-acetoxy-7''-methyloctyl)-5,6-dimethoxyflavone
Peak:m/z	Relative Intensity
57.02465	2.9
57.03317	8.2
59.01252	36.1
61.98707	12.1
69.21068	8.1
69.21493	14.6
70.57403	2.3
71.01258	21.5
73.02838	7.2
80.96399	4.3
83.01239	3.4
85.02814	8.6
89.02312	19.8
96.96809	2.8
97.06427	2.3
98.02369	3.1
99.00749	7.4
99.04401	13.5
101.02322	21.0
113.02326	12.1
119.03416	5.3
125.02323	6.9
149.04482	7.3
152.01035	4.2
161.04457	8.0
168.57735	2.1
182.34386	2.1
212.44672	2.4
221.21100	2.3
330.36911	2.3
345.19189	7.4
453.19562	5.0
477.23398	100.0
478.23700	16.8
513.20868	57.7
513.27081	5.4
514.21313	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	513.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81039	1.8
51.14180	1.8
54.58248	1.8
55.01756	3.4
57.03304	2.5
59.01252	41.0
61.98699	8.5
63.63278	2.0
70.25816	5.4
71.01251	36.2
72.99165	3.3
73.02816	15.5
78.73725	1.7
82.96218	1.7
83.01260	15.6
85.02828	19.8
85.69498	1.7
89.02315	6.7
95.01241	1.8
99.00743	5.3
101.02330	43.0
103.03835	2.8
111.00666	2.2
113.02331	16.6
119.03388	3.1
125.02328	5.4
135.04405	3.5
143.03340	3.3
145.12280	2.1
159.02930	3.6
161.04477	15.1
163.06068	4.9
179.03400	5.9
216.16013	2.0
260.57611	2.4
307.17612	54.1
323.17847	2.0
453.23376	100.0
454.23599	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	512.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07676	0.4
59.01255	3.4
60.80580	0.4
61.98702	100.0
64.40356	0.4
65.66556	0.4
68.71739	0.4
69.30761	0.8
69.31090	3.5
69.41712	0.5
71.01262	1.9
73.02821	0.6
78.95786	0.8
80.19423	0.3
86.12385	0.4
89.02327	0.6
98.20573	0.8
101.02340	0.8
103.57558	0.5
107.65342	0.4
114.54352	0.4
160.97978	0.4
240.28635	0.4
263.16473	1.0
287.22461	0.7
351.58945	0.4
368.00983	0.5
449.27502	4.3
450.28195	0.8
504.13663	0.4
510.48529	0.5
513.27576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49544	4.5
59.01253	42.0
71.01266	38.4
71.51709	6.4
85.02829	10.4
87.00764	5.7
89.02320	28.9
101.02329	19.8
108.15247	5.5
112.17792	4.4
113.02374	8.3
119.03401	16.2
121.05262	4.9
122.05997	10.4
133.83095	6.0
138.05521	6.0
157.81862	5.3
165.04272	7.3
166.04919	4.8
202.12358	8.4
204.06755	5.2
216.06729	6.1
217.07410	5.7
229.09761	12.2
231.09174	7.0
231.11304	31.7
246.11304	13.9
250.27509	5.3
270.10281	6.0
271.10828	42.8
346.11603	4.8
379.43289	6.0
451.17105	44.5
495.16339	10.8
513.17194	100.0
513.24731	6.5
514.17542	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	511.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03281	0.4
58.00471	0.9
59.01248	27.4
61.07424	0.4
61.98695	3.2
63.70037	0.4
67.26385	0.4
69.03317	1.2
69.87743	0.5
71.00468	0.8
71.01249	12.7
72.99179	1.4
73.02814	7.9
80.96362	0.5
81.03314	1.0
83.01257	1.3
85.02817	5.5
87.00751	1.4
89.01760	0.7
89.02312	8.8
97.02837	1.4
99.00735	0.6
101.02318	15.3
103.03888	9.8
113.02327	0.9
115.03889	0.7
119.03387	5.4
120.92741	0.5
125.02328	11.2
126.02665	0.6
127.03902	1.6
131.03371	1.1
138.88467	0.5
143.03433	2.2
143.10672	100.0
144.10999	4.1
145.05003	2.3
163.06026	14.8
205.07104	3.1
237.59322	0.4
247.08266	2.9
253.05066	0.9
289.09183	0.7
307.10339	12.3
308.10428	0.7
339.74408	0.5
451.22116	3.4
451.28232	0.8
452.22186	0.5
511.17651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
61.98701	6.0
63.19808	0.8
65.00178	1.0
69.59298	5.8
88.41654	0.8
90.86078	0.8
93.03316	1.0
96.95908	1.0
98.20551	0.9
109.02834	2.0
119.04877	1.3
121.02832	1.9
122.01513	0.9
125.02299	1.9
127.56281	0.8
130.31306	0.8
133.02866	10.9
135.04497	1.0
147.04430	1.5
149.02325	1.1
161.02324	1.0
163.00279	1.9
163.03862	1.6
165.01753	0.9
173.02472	1.5
175.03894	3.3
191.03424	2.5
193.01396	1.2
199.03981	2.0
211.04068	1.0
213.05473	1.3
253.04970	1.3
256.03748	1.0
269.04626	1.8
284.03281	9.1
285.04001	8.4
297.03998	14.0
298.04706	9.7
299.05597	15.9
300.06122	1.3
308.37860	0.8
309.03876	0.9
311.05795	2.2
327.05081	100.0
328.05496	9.9
339.05124	3.9
341.06464	1.3
357.06131	26.6
358.06458	1.6
369.05978	2.4
447.09305	74.0
448.09714	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.5
61.98700	0.5
71.52967	0.3
78.95776	100.0
87.46009	0.2
93.54960	0.2
96.96843	8.0
119.90125	0.3
124.99989	0.4
140.01123	0.5
150.97858	0.3
152.99487	18.8
160.00635	1.2
171.00555	19.5
193.12411	0.3
197.11893	0.4
211.13408	0.3
214.04959	0.3
244.42555	0.2
293.21136	0.3
311.22342	2.7
374.22842	0.3
416.22192	0.3
434.22998	1.7
435.23511	0.4
466.85922	0.3
475.20456	0.3
508.26788	61.8
509.27164	9.7
509.34653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01586	3.6
53.29716	3.6
59.01255	7.7
65.99727	5.9
68.99693	5.4
69.03307	12.7
69.38383	31.9
81.03328	5.8
83.01244	4.4
95.01263	9.9
97.02830	13.8
99.00759	10.9
107.01256	7.0
109.02820	17.0
111.00746	18.0
121.02814	7.6
123.00752	16.2
123.04410	6.0
124.01543	5.5
125.02344	25.8
130.14609	3.9
130.85356	4.1
134.02367	4.3
137.02342	25.3
139.00261	11.1
139.03944	8.9
140.01025	8.6
141.01849	23.0
147.04382	4.9
148.03935	4.3
149.02306	11.0
151.00261	17.9
151.03893	9.5
153.01823	26.4
161.02319	10.5
162.01862	16.5
163.00227	6.8
164.03386	6.5
164.98215	6.7
165.01807	17.8
166.99779	4.0
167.03333	14.5
175.03911	6.0
177.01819	14.5
178.99748	9.2
181.01341	16.3
182.99272	5.0
183.02927	7.3
185.00795	4.5
186.01881	5.5
187.99896	4.1
189.01859	8.2
190.01366	12.8
190.99716	7.0
191.03450	5.7
193.01363	18.3
195.02829	5.6
199.03893	4.8
202.01256	4.5
202.99696	4.6
203.03413	8.2
205.01285	7.3
205.04897	4.8
206.00841	5.9
206.04503	14.9
208.02455	5.5
209.00847	23.1
219.02859	10.2
221.00868	6.4
223.02351	5.5
231.02846	5.7
232.02399	9.8
235.02406	5.7
243.02890	7.0
244.02353	4.3
245.00946	11.4
247.02403	5.0
248.01985	6.2
255.02890	4.0
257.00949	4.3
258.01645	6.1
259.02423	16.3
261.00366	4.7
261.06152	5.2
268.02536	4.4
271.02362	9.2
272.03018	6.2
273.00461	4.7
273.03671	5.0
274.01001	7.9
275.01865	6.2
286.00925	7.8
287.01877	13.8
288.02090	5.7
288.99930	9.3
289.03326	5.4
299.02023	4.8
300.05334	7.6
301.03293	7.6
303.01477	7.1
314.03329	4.1
317.02994	15.8
325.07889	6.1
326.03412	4.5
326.08475	8.7
327.03403	5.7
328.04626	10.8
329.01657	9.7
329.05090	22.7
345.04565	4.5
347.03046	9.8
351.03436	4.7
354.02399	6.3
358.05634	8.3
372.03622	12.1
381.08298	4.5
390.04434	9.2
411.50589	4.3
420.09756	5.8
437.07169	43.2
438.07462	8.1
438.80203	3.7
448.08820	10.5
451.05118	5.7
452.06119	6.1
470.06708	4.2
474.06802	12.4
477.09247	18.8
492.07547	49.3
493.07770	5.3
510.08630	100.0
511.09152	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81569	0.3
59.01247	0.6
59.23404	0.3
61.98703	0.8
71.52215	0.4
78.95776	100.0
86.98962	0.7
91.49303	0.3
96.96843	7.7
116.01660	0.3
118.81390	0.3
123.79027	0.3
125.00057	0.4
140.01106	0.7
150.97935	0.4
152.99490	17.7
160.00681	4.3
162.05489	1.3
171.00563	18.1
171.10136	0.5
185.00346	0.3
188.07018	0.3
193.00746	0.3
211.13293	0.6
235.56703	0.3
245.09377	0.5
289.08307	0.7
293.21121	0.5
311.22226	3.2
330.17072	0.6
348.18112	0.7
434.23087	1.5
475.20691	1.1
508.26782	60.2
509.20480	0.5
509.27112	10.0
526.67236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78654	0.4
55.01745	1.7
57.03326	2.6
58.00460	0.9
59.01249	25.3
60.01581	0.5
68.99703	0.4
69.03319	1.8
69.43585	2.3
71.01254	22.4
71.04884	1.3
72.01597	0.7
72.99170	2.1
73.02817	7.4
75.00704	0.6
81.03313	0.5
82.80372	0.4
83.01250	5.0
85.02823	13.5
85.99969	1.1
86.03141	0.4
87.00744	2.6
89.02319	3.1
95.01263	2.3
97.02819	2.0
98.19771	0.4
99.00748	3.2
99.08057	0.8
101.02325	13.5
111.00761	0.6
112.01554	1.7
113.02329	8.7
113.09649	1.7
114.02688	0.5
119.03358	0.6
123.00755	0.5
124.01530	1.7
125.02354	3.0
125.09528	0.5
129.09102	1.4
141.09122	0.7
142.02650	0.6
143.03395	1.5
143.10681	3.9
157.12263	0.7
159.02943	0.7
161.04422	2.6
239.20082	0.8
257.21234	0.8
285.20724	10.4
286.21149	0.8
303.21786	6.7
327.21851	0.8
345.23050	1.0
429.24850	3.4
430.25565	0.6
447.25977	40.6
448.26144	5.0
449.27335	0.5
465.27029	28.6
466.27487	4.2
489.26923	0.6
507.28064	100.0
508.28442	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	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
57.03323	1.6
58.00458	0.8
58.88973	0.4
59.01252	100.0
60.01596	1.2
61.98704	1.4
71.01255	25.8
71.52675	0.5
72.99183	2.5
73.02825	6.7
75.00743	0.8
83.01261	3.7
85.02821	11.5
85.99992	0.6
86.02367	0.9
87.00766	1.8
88.98698	1.2
89.02318	12.9
93.03342	0.5
95.01257	2.8
97.02842	0.7
99.00762	2.7
101.02328	20.6
108.02115	0.5
109.02828	0.6
111.00745	1.0
113.02335	12.5
119.03391	3.5
121.02850	0.6
124.01549	0.5
125.02353	1.4
129.01866	0.6
131.03435	0.5
137.02368	0.9
138.06927	0.5
143.03413	1.9
143.10698	1.1
150.76994	0.4
151.99423	0.7
152.01102	0.6
159.02911	1.6
161.04460	10.2
162.04878	0.6
165.01872	0.4
177.96925	0.5
179.03416	0.5
179.05595	1.6
211.13406	1.2
242.28351	0.6
285.20700	2.0
301.35941	0.5
345.19141	8.3
346.19647	1.1
447.26013	29.2
448.26318	5.1
465.26675	0.9
507.15875	1.2
507.24963	10.1
508.16299	0.5
508.25388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03332	1.9
59.01253	100.0
60.01595	1.4
60.99166	0.4
69.03332	0.9
69.25591	2.5
69.26003	0.6
71.01258	9.4
72.99196	0.6
73.02821	3.6
83.01267	2.8
85.02826	8.2
85.99986	0.4
87.00756	0.9
89.02324	1.3
90.16635	0.3
95.01290	0.9
97.02847	0.6
98.19764	0.7
99.00764	1.6
99.08051	0.4
101.02325	5.8
102.28108	0.3
111.00786	0.5
112.01553	1.2
113.02332	6.4
125.02327	0.5
129.09135	0.9
143.03458	0.6
161.04480	1.1
175.02457	0.5
223.16986	0.7
243.19629	2.8
387.23749	0.8
405.25125	2.6
406.25497	0.5
429.24710	2.3
447.25992	19.5
448.26370	2.7
465.27029	16.7
465.33694	0.7
466.27377	2.2
489.27005	2.3
507.28101	94.7
508.28445	16.4
524.91278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2824
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
53.02235	0.3
55.01759	0.7
57.03319	0.7
59.01253	87.8
60.01602	0.8
60.99192	0.3
61.98682	0.3
67.23033	0.3
68.54029	0.4
69.03331	0.4
71.01255	10.2
71.31683	0.5
72.99178	0.9
73.02818	3.8
75.00773	0.4
83.01273	2.7
83.78773	0.3
85.02827	6.5
87.00766	1.0
88.00303	0.3
88.98688	0.4
89.02316	3.8
95.01263	1.2
97.02839	0.5
98.23138	0.3
99.00751	2.1
101.02325	8.8
111.00759	0.5
113.02328	4.6
119.03325	0.4
125.02381	0.7
129.09084	0.3
134.03641	0.8
143.03423	0.7
143.10707	0.5
146.03644	0.6
147.04416	1.3
148.05217	0.4
149.05995	4.9
150.06334	0.5
152.01163	0.3
159.02913	0.9
161.04480	2.0
165.01871	0.7
166.02632	0.3
179.07071	1.2
180.04219	0.5
195.06519	0.4
215.41409	0.3
225.07588	0.6
228.63980	0.3
243.19617	1.2
279.09735	0.3
283.02493	1.8
284.02805	1.9
285.03079	2.5
285.20724	0.8
297.11349	0.9
303.21747	0.9
309.11322	0.4
327.12741	0.4
375.20370	0.4
387.09848	0.6
387.23856	0.4
397.36096	0.3
405.24957	2.2
406.25995	0.4
429.24933	0.4
447.26044	5.4
448.26300	0.5
465.27100	6.3
466.27209	1.2
489.27112	3.9
507.28088	100.0
508.28482	15.7
508.34286	0.3
509.09772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53381	0.3
57.01147	0.3
59.01246	0.8
62.80062	0.3
66.23727	0.3
69.21999	2.8
78.95779	10.7
83.90292	0.3
96.96838	1.0
115.92629	0.3
125.18371	0.3
125.69279	0.3
152.99496	16.9
163.00523	0.3
171.00481	1.5
227.03178	2.7
245.04269	1.7
261.22345	0.4
274.36255	0.3
274.53403	0.3
279.23285	100.0
280.23654	10.0
350.97247	0.3
354.61942	0.3
415.22321	0.4
507.27261	29.7
508.27701	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.5
61.98700	1.0
69.03342	0.7
71.01241	3.1
73.02819	0.8
85.02825	1.3
87.00707	0.5
89.02297	2.3
93.03296	0.9
101.02309	2.5
113.02317	1.3
119.03411	0.8
131.69962	0.5
137.02303	0.6
157.04947	0.4
161.04449	0.8
167.10529	0.5
167.14307	0.7
183.13811	5.5
184.14195	0.9
193.12251	1.3
211.13333	100.0
212.13698	7.3
235.08177	0.8
253.09270	13.6
254.09680	0.5
314.13742	0.5
374.26907	0.5
392.19696	0.5
447.22018	3.8
448.22354	0.5
507.34021	0.8
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
53.53526	0.6
55.01760	2.2
57.03321	1.8
58.00461	1.1
59.01251	100.0
61.98700	1.5
71.01254	34.3
72.01593	0.5
72.99185	2.5
73.02818	8.9
75.00748	0.9
75.37747	0.5
77.71698	0.5
83.01260	4.3
85.02823	16.0
87.00764	2.7
87.04401	0.7
89.02316	14.1
95.01251	2.8
97.02831	0.9
99.00777	3.4
101.02320	25.4
102.02673	0.6
108.02068	1.4
113.02327	18.7
113.03065	1.1
119.03394	5.9
124.01577	1.1
125.02377	1.3
129.09171	0.6
131.03403	1.1
135.04460	0.9
137.02359	1.3
143.03432	2.1
143.10672	0.6
152.01050	0.9
159.02969	1.5
159.06570	1.1
161.04472	15.4
170.87973	0.6
179.03491	0.7
179.05591	3.1
205.03537	0.8
211.13403	1.5
218.82768	0.6
253.95518	0.6
285.20807	2.1
345.19189	15.4
346.19507	1.4
447.26031	32.6
448.26221	4.2
465.26825	1.2
506.14658	0.7
507.15799	1.2
507.25034	18.3
508.25317	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	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
71.01260	1.4
71.40427	1.4
72.07310	1.0
72.99164	2.0
75.00748	26.4
77.27344	1.2
87.00743	7.0
105.01806	6.8
119.63249	1.0
129.01793	3.9
139.39220	1.1
147.02890	2.3
165.03960	100.0
166.04324	2.8
167.03389	2.0
243.58292	1.1
343.08185	1.5
387.10889	3.5
417.12152	1.6
507.14685	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1507
Annotation	Odontoside
Peak:m/z	Relative Intensity
53.91403	0.6
54.78871	0.5
59.01241	1.8
60.66480	0.6
62.06810	0.6
65.24478	0.5
69.41782	3.2
71.01258	1.2
73.02795	0.6
74.24225	0.6
81.03342	1.8
83.01232	1.4
85.91890	0.6
95.04913	0.7
97.02824	0.8
99.04375	1.1
101.02340	1.0
104.01476	0.6
107.10567	0.5
109.02860	0.6
121.02839	0.6
123.04409	1.1
125.02343	7.5
136.43581	0.6
137.02318	2.0
139.03981	1.1
149.02313	1.1
149.05945	0.8
151.00313	0.9
151.03981	0.8
162.07362	0.6
163.00299	0.9
165.01802	1.3
167.03413	11.0
168.03773	0.7
175.03984	0.6
179.03368	1.0
191.03371	0.8
191.07042	1.0
193.01349	3.3
193.05128	0.9
197.04532	3.8
223.02647	0.7
231.02927	0.6
233.04613	1.1
241.05064	1.4
243.02956	1.3
247.02307	0.7
253.08557	1.1
255.06441	0.8
257.04669	1.5
257.08075	0.5
259.09637	1.5
261.03781	0.7
269.04602	1.5
269.08209	2.5
271.09738	1.5
272.03342	0.7
273.04016	2.0
273.07346	0.5
281.04764	0.7
281.08267	1.2
283.05728	0.8
285.04050	2.1
285.07562	1.4
287.09265	2.6
297.04489	0.6
297.07654	3.0
299.05734	1.1
299.09262	1.9
309.07718	1.3
313.07227	2.9
315.05127	1.6
315.08765	3.5
325.07184	5.1
326.07611	0.8
327.08694	1.2
341.10519	0.8
343.08191	14.8
344.08752	1.0
345.09970	1.5
355.08347	3.0
356.08173	0.9
373.09177	4.1
387.10867	50.9
388.11230	6.0
399.10779	1.5
417.11908	18.8
418.12128	3.6
429.11917	1.7
489.14017	2.7
507.15076	100.0
508.15439	15.4
508.22562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72446	2.1
56.74566	2.2
59.01244	4.3
67.70648	2.2
71.01248	3.9
71.51983	3.4
77.38275	2.1
79.26648	2.1
99.00758	2.7
125.02336	4.5
137.02419	3.0
148.49234	2.1
163.00327	2.3
167.03400	6.3
179.03371	2.4
193.01251	3.8
199.03925	4.5
215.03508	2.8
225.86696	2.5
227.03487	3.1
229.01352	2.6
233.04543	2.7
242.02205	7.2
243.02939	15.4
244.03679	3.0
250.41194	3.0
255.02986	9.8
258.01807	3.0
259.02487	3.4
269.07968	3.1
270.01688	22.7
271.02426	16.2
272.03143	14.2
273.04041	2.9
283.02478	5.2
283.99582	5.6
285.00464	24.0
285.03787	4.0
297.00406	26.1
297.07581	3.6
298.01056	8.0
299.01956	37.2
301.03558	11.2
311.02008	21.7
325.07117	5.5
327.01462	100.0
328.01721	10.7
329.03262	2.9
331.04532	2.7
339.01459	16.2
340.01782	2.7
341.02982	3.2
343.08304	7.9
355.00986	2.5
355.08136	3.7
357.02512	98.4
358.02817	10.8
359.04080	4.6
369.02310	5.8
369.09631	3.6
371.03790	2.7
387.03513	42.2
387.11017	16.3
388.03751	6.6
388.11444	3.2
389.05103	2.4
399.03583	3.6
417.04675	29.2
417.10440	3.8
417.11984	3.4
418.04971	3.5
421.07813	3.0
429.04626	7.2
435.79358	2.4
447.05627	12.2
455.07748	2.7
479.08731	3.2
489.06747	11.0
507.07770	84.6
507.15033	22.7
508.08005	16.0
508.14761	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55605	0.4
55.35688	0.4
59.01249	1.7
71.01263	0.8
74.00866	0.5
74.25417	0.5
78.95776	27.9
87.35320	0.5
91.46912	0.5
96.47901	0.5
96.96837	2.3
98.19841	1.3
101.55332	0.4
104.17286	0.5
111.00771	1.2
150.97887	0.5
152.99487	42.8
153.99792	0.7
158.87955	0.4
159.21342	0.5
171.00505	2.2
224.70462	0.4
227.03244	5.6
233.22888	0.7
245.04301	2.1
251.84480	0.6
259.20676	0.5
277.21716	100.0
278.22095	9.7
338.97269	0.5
363.23654	0.5
413.20804	1.3
505.25720	61.4
506.26117	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63938	1.4
59.01250	100.0
60.01545	1.8
60.81927	1.7
60.85318	1.6
62.56395	1.4
68.40150	1.7
70.14140	1.5
70.53827	3.1
71.01248	2.4
73.02820	2.0
75.14185	1.6
78.14631	1.4
79.67517	1.5
87.00771	1.8
108.02005	1.6
109.02843	1.8
120.01198	2.3
121.44836	1.5
134.46016	1.6
151.03830	4.4
152.04395	1.7
153.64186	1.4
161.02383	19.2
161.08571	1.6
175.16989	1.4
176.04692	9.1
179.03436	31.3
191.07048	4.2
194.05775	27.7
203.90163	1.6
209.08142	90.0
210.08441	6.2
251.22148	1.6
255.75156	1.7
408.90851	1.8
445.17044	4.1
448.90820	2.0
490.75793	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00800	0.3
59.01252	1.3
69.53545	2.1
78.95779	11.3
96.96835	1.0
97.32278	0.3
98.19730	0.3
99.39944	0.3
113.06023	0.3
141.82558	0.3
152.99495	21.2
153.99854	0.4
164.96021	0.3
165.19102	0.3
171.00581	2.1
227.03217	3.4
245.04236	1.9
248.07889	0.8
259.20734	0.4
275.20059	0.6
277.21722	100.0
278.22067	10.4
317.75540	0.3
367.34131	0.3
447.60434	0.4
505.25742	32.1
506.26059	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	505.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99450	0.9
59.01243	4.2
60.88324	0.9
62.79816	1.0
69.13770	0.9
69.25309	10.6
71.01253	4.4
73.02815	2.7
78.95774	1.0
79.01749	1.2
81.03330	2.9
81.73956	1.1
83.01264	4.6
85.02333	0.9
85.02834	2.8
89.02287	1.1
93.03331	24.5
95.01290	1.6
95.04910	2.5
97.02836	5.9
101.02341	3.5
105.03331	1.7
107.01259	1.5
109.02843	1.9
113.02354	2.4
117.03343	19.9
119.04892	6.4
121.01968	1.8
121.02846	30.9
123.00771	2.8
123.04401	2.7
124.01319	1.1
124.46351	1.0
125.02332	21.7
135.04410	7.4
137.02348	6.8
137.05959	3.0
145.93909	1.2
149.02332	4.2
151.00293	7.6
151.07582	2.5
155.03387	3.1
159.04420	5.3
161.02345	21.2
161.04436	2.1
161.05981	1.3
163.00270	3.4
163.07582	1.2
164.27553	1.0
165.01886	6.6
167.03404	10.0
171.04431	2.0
171.08058	2.5
173.06009	3.7
175.07549	1.5
177.05534	2.0
177.09106	2.8
179.03468	1.6
179.07053	4.3
188.17764	1.0
191.07071	3.9
193.01353	13.0
193.08513	1.7
197.04474	3.5
200.04720	2.4
201.05553	5.9
203.03497	1.5
203.07034	1.7
205.05013	2.6
209.08032	1.5
213.05502	1.2
213.09207	4.3
215.07092	6.7
217.05026	3.4
219.06578	4.4
221.08110	3.0
223.02411	3.7
225.05557	1.9
243.06668	5.2
245.04521	20.2
246.04779	1.7
247.06108	6.8
248.06447	1.1
255.06413	1.2
257.04526	6.2
259.06079	3.6
271.06149	1.8
277.07117	4.4
287.05594	79.5
288.05963	9.9
297.11346	3.1
299.05835	1.5
299.09250	9.9
300.09641	1.2
311.09241	1.8
313.10864	1.3
317.06644	25.3
318.06964	1.3
341.10251	24.0
341.14297	1.5
342.10635	3.0
343.11920	4.6
353.10367	2.6
355.11938	1.8
371.11362	6.8
385.12912	100.0
386.13223	13.9
397.12784	2.5
415.13950	52.5
416.14359	7.8
416.27649	1.1
427.14059	3.7
487.16238	4.9
505.17120	7.2
505.23663	1.2
505.26965	1.0
505.33798	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71680	0.9
55.95243	1.1
59.01250	8.5
63.43105	0.8
65.00204	3.2
67.14673	0.9
68.18875	0.9
69.03322	2.1
69.38171	8.3
71.01257	5.5
73.02814	2.3
79.01757	1.1
81.03330	4.3
83.01271	5.2
85.02800	1.5
87.82618	1.0
89.02282	1.0
93.03340	28.2
93.07091	0.9
94.03648	1.3
95.01279	2.3
95.04901	3.2
97.02842	6.4
99.04397	1.2
101.02324	3.0
105.03351	1.2
107.01278	4.8
109.02836	2.5
113.02320	2.2
117.03347	21.5
118.03619	1.1
119.03463	1.2
119.04915	7.3
121.02843	10.0
123.00756	2.4
123.04440	4.0
124.01552	1.0
125.02331	24.0
131.57518	0.9
135.04417	7.6
135.08078	1.5
135.09508	1.0
137.02376	7.5
137.06001	2.8
147.75533	1.1
149.02348	4.5
149.06064	1.0
151.00287	8.4
151.07541	2.3
155.03410	2.4
156.05750	1.2
157.06551	1.4
159.04428	5.4
161.02342	22.6
161.05942	1.4
162.02667	1.2
163.00261	2.7
163.07591	1.3
165.01845	5.1
167.03452	12.7
171.04451	1.5
171.08087	2.1
173.06000	3.2
175.07629	1.3
177.01849	1.8
177.05464	3.0
177.09140	1.9
179.07014	5.9
191.07104	3.1
193.01352	12.5
197.04471	1.6
200.04659	2.1
201.05504	7.1
203.03467	1.6
205.04982	3.7
209.08247	2.0
213.09158	2.7
215.07101	6.2
217.04977	3.9
219.06490	4.8
221.08151	3.1
223.02377	2.0
223.13306	1.7
235.76558	1.1
243.06589	3.9
245.04506	20.9
246.04854	1.6
247.06067	7.8
255.10309	2.0
257.04541	5.9
259.06027	2.2
265.10980	1.7
269.61377	1.1
271.06085	2.3
277.07184	4.4
287.05612	82.8
288.06033	8.6
291.08688	1.6
297.11203	2.4
299.05661	3.1
299.09235	9.0
311.09161	3.4
317.06635	20.9
318.06985	1.4
341.10300	22.4
342.10684	3.0
343.11765	4.1
353.10126	2.3
354.42834	1.2
355.11627	1.4
371.11353	5.5
385.12915	100.0
386.13242	15.4
389.08636	1.1
397.12567	1.9
407.09949	2.4
415.13947	45.5
416.14340	5.6
427.13937	1.7
487.16110	4.8
505.16946	6.9
505.33984	7.5
506.17181	1.4
506.33401	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	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55100	0.2
59.01251	2.8
59.07405	0.2
61.98689	0.5
67.09512	0.2
68.99685	0.5
71.01254	1.1
71.52337	0.2
72.99191	0.3
73.02841	0.2
74.02343	0.2
74.75406	0.2
83.01251	0.3
85.02823	0.5
87.00732	0.4
89.02313	0.5
93.03316	1.0
95.01270	0.3
97.02872	0.2
99.00778	0.2
101.02326	0.9
101.05937	0.8
107.01221	0.2
108.02036	0.4
109.02818	0.7
113.02320	0.5
117.03348	0.5
119.04891	0.2
123.04404	0.2
125.02331	1.3
135.04417	0.3
137.02353	0.6
141.76311	0.2
148.01556	0.4
148.38934	0.2
149.02348	0.2
151.00223	0.5
152.01042	0.7
155.04939	0.4
157.02876	0.2
159.04485	0.5
161.02347	0.6
161.04408	0.2
165.01762	0.2
167.03406	1.0
167.04659	0.2
171.04449	0.4
173.05946	0.4
175.00308	0.5
179.03409	0.2
182.03555	0.2
183.04448	2.6
185.02310	0.4
187.03915	0.4
191.03381	0.5
193.01311	0.5
195.04434	0.2
198.03163	0.3
199.03915	1.1
201.05400	0.3
203.03441	0.3
204.04156	0.2
205.05040	0.6
209.02335	0.5
210.03165	0.2
211.03940	2.8
212.04318	0.3
215.03448	0.4
215.07040	0.2
217.05083	0.2
226.02641	0.3
227.03453	6.6
228.03836	0.4
233.04500	0.9
237.01923	0.6
238.02655	1.4
239.03406	1.4
240.04102	0.3
241.04878	0.4
243.02965	0.6
243.06578	0.2
245.04485	0.8
254.02200	1.0
254.04738	0.2
255.02966	7.8
256.03424	0.7
257.04395	0.5
258.01624	2.0
259.02396	1.9
265.01471	0.2
266.02103	0.5
267.02905	1.4
268.03629	0.4
269.04498	0.3
270.01620	0.3
271.02481	3.2
272.03214	4.5
273.03656	0.3
281.01276	0.2
281.04581	0.7
282.01807	0.8
283.02463	100.0
284.02817	9.0
285.04068	1.6
286.04422	0.3
287.02307	0.3
287.05582	2.3
287.08774	0.3
288.02753	0.3
288.05777	0.2
296.03137	1.1
297.03922	2.4
298.01169	0.6
298.04337	0.3
299.01828	0.4
299.05368	0.3
300.02707	0.2
301.03653	0.8
304.02188	0.3
311.01855	0.8
313.03558	1.5
316.02350	0.3
317.06577	0.4
324.02826	0.4
325.03513	6.4
325.07465	0.3
326.03802	0.7
329.10162	0.3
331.04584	0.5
339.08823	0.4
341.10101	0.4
343.04471	0.5
355.04492	1.0
357.09778	6.5
358.10062	0.4
369.09589	0.3
385.09128	20.4
385.12595	1.8
386.09537	2.5
386.13757	0.3
387.10812	0.6
397.09204	1.4
398.09448	0.2
403.06671	15.7
404.06949	2.1
415.09692	2.3
415.14633	0.6
427.09702	0.2
436.06271	0.2
445.24255	0.6
463.25317	1.1
487.12073	1.5
505.13510	31.9
505.26529	3.5
506.13882	4.8
506.26096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03318	0.7
59.01247	8.1
66.87252	0.6
67.68002	0.6
69.50033	1.5
69.50450	3.5
71.01260	4.6
72.99173	0.7
73.02824	1.6
83.01246	1.0
85.02811	3.1
87.00743	1.3
89.02328	1.3
95.01239	0.9
97.02802	0.6
101.02329	2.4
108.02052	30.9
109.02285	0.9
113.02320	2.1
122.02379	8.1
123.04410	13.6
125.02285	0.8
132.02074	8.0
133.02843	4.3
134.03629	10.6
135.04379	3.2
137.02318	0.9
149.05991	2.2
151.00317	0.7
152.01054	64.9
153.01465	2.7
160.01569	32.6
161.02348	10.5
161.04411	0.9
161.05862	0.6
166.02632	1.9
167.03413	100.0
168.03751	4.7
175.03928	41.2
176.04414	1.4
177.01875	1.2
178.02679	0.8
179.03381	2.3
181.04971	2.3
181.08693	1.4
191.07106	0.8
192.21451	0.7
193.05002	8.6
194.05356	0.7
201.64841	0.7
203.03419	0.7
217.04968	0.8
221.04543	1.5
257.04468	0.8
271.02563	0.7
277.07217	1.0
283.02542	1.6
301.20255	0.8
323.07721	12.8
324.08331	1.1
329.13818	1.1
337.09290	51.5
338.09634	4.2
357.10107	0.8
385.09457	1.7
415.10394	0.7
445.24353	2.3
463.25659	1.8
504.27615	0.7
505.13483	6.8
505.26984	7.2
506.13589	0.9
516.16370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
54.91969	0.6
59.01249	17.1
69.51453	5.0
71.01244	3.1
72.99196	0.7
73.02838	1.0
75.00743	1.1
81.32366	0.7
85.02810	1.7
89.02324	1.1
93.03337	0.8
95.04893	0.8
98.32958	0.6
101.02306	2.1
107.01333	0.7
108.02056	2.0
109.02837	9.3
109.06490	1.9
115.54829	0.7
117.03397	0.8
119.04923	2.2
121.02846	4.4
122.02376	1.7
122.03620	1.0
122.19688	0.7
123.04391	0.8
125.02321	0.9
132.02112	1.7
133.02850	28.2
134.03383	1.0
134.59183	0.7
135.04414	23.8
136.01584	5.5
136.04753	1.0
137.02383	3.7
137.05978	17.8
147.04431	0.7
149.02222	0.9
149.06020	1.1
151.03925	6.2
152.01050	0.8
153.01840	3.0
159.04332	1.0
160.01599	1.8
161.02354	100.0
162.02699	6.2
163.03908	1.1
175.03915	3.2
177.05507	1.9
179.03416	12.3
181.04996	36.3
182.05334	1.0
221.04561	2.7
271.02533	1.4
272.03207	0.7
301.03424	1.4
323.07718	27.6
324.08099	2.9
343.11899	10.2
344.12323	1.0
353.11295	0.8
385.08969	1.0
415.10300	1.0
505.13574	48.1
505.26563	4.3
506.13965	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	503.1193
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.18793	0.2
55.64350	0.2
59.01254	0.3
60.02970	0.3
60.55585	0.2
69.03323	0.3
69.20720	1.1
69.21147	1.6
71.01264	0.7
71.29859	0.2
73.02805	0.3
85.02817	0.4
101.02326	0.6
107.04902	1.0
112.07050	0.3
117.03366	0.6
118.55551	0.3
128.45734	0.3
132.02080	0.6
133.02849	9.9
134.03682	2.7
135.04419	88.5
136.04745	3.6
137.02336	0.5
149.05978	0.5
161.02354	37.7
162.02690	1.9
175.04018	0.3
177.05513	1.5
178.02675	0.3
179.03423	100.0
180.03761	5.4
203.03467	0.5
221.04541	2.3
222.04800	0.3
233.04425	0.3
251.05504	0.4
256.93414	0.3
263.05377	0.3
274.61523	0.3
280.05881	0.3
318.84314	0.3
323.07697	34.6
324.08054	3.7
341.08768	4.5
342.09198	0.6
503.12033	8.9
504.12592	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03931	0.3
59.01252	100.0
60.01588	1.4
61.98703	1.6
70.81357	0.9
71.01247	1.8
85.02784	0.4
87.00763	1.6
89.02327	0.5
90.44547	0.3
93.03380	0.5
94.99074	0.4
96.95911	1.1
101.02328	0.7
109.02811	0.4
121.02866	0.6
128.03410	0.4
201.83224	0.4
224.65427	0.4
247.85228	0.4
280.93686	0.3
335.71176	0.4
391.89783	0.4
399.24158	0.6
441.24814	0.4
526.09943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	19.8
63.19280	12.9
65.00199	22.8
67.01733	17.1
67.43355	14.8
68.99684	37.2
69.03318	42.2
71.01256	29.9
71.51799	16.7
78.35373	15.3
79.01771	29.7
81.03322	24.0
82.83897	12.2
83.01247	40.0
85.02825	20.9
93.03339	39.1
94.02852	14.0
95.01261	40.1
96.99207	16.4
97.02848	59.4
97.60304	15.2
99.00766	53.5
100.37177	15.0
107.01256	45.8
107.04883	23.2
108.02095	14.4
109.02814	71.2
111.00766	75.6
113.02365	30.9
114.74612	14.3
121.02833	34.5
123.00781	71.6
124.01559	16.6
125.02344	100.0
127.00255	46.4
129.51198	13.0
131.04988	17.5
133.02805	19.0
135.04428	18.3
137.02324	99.3
139.00246	89.9
139.03899	31.6
141.01834	78.7
147.04405	33.6
149.02371	41.9
151.00285	82.9
151.03880	20.3
153.01860	98.7
154.99754	76.6
159.04482	15.4
161.02350	34.8
163.00288	26.2
163.03929	40.0
164.01007	15.7
165.01843	72.7
166.99756	24.9
167.03426	30.9
169.01338	27.4
175.03893	43.6
176.01086	16.5
177.01863	48.6
177.05429	32.7
178.99767	45.1
179.03352	29.7
180.97665	19.2
181.01360	74.0
182.02043	26.0
183.02937	40.6
185.00806	18.1
187.04013	29.7
189.01840	35.4
190.02728	16.2
190.99771	28.3
191.03392	61.8
193.01306	82.5
195.02914	28.0
201.01874	18.0
202.99802	18.6
203.03427	44.9
205.01358	51.9
205.04900	29.4
206.02124	32.1
207.02919	46.6
209.00856	65.6
211.02466	16.6
215.03413	15.7
217.01483	27.1
219.02933	92.9
220.03632	32.4
221.00916	39.4
221.04512	34.8
222.01646	24.9
223.02571	19.1
229.01367	19.1
231.02919	39.1
233.00874	22.7
233.04398	23.4
235.02411	69.0
245.00899	23.8
246.01663	17.5
247.02455	69.2
249.03958	31.5
259.02472	30.6
261.00311	21.3
261.03949	27.8
263.01965	54.8
265.03613	24.5
271.02438	20.1
275.01965	67.3
277.03601	47.8
287.01822	27.4
289.03452	22.2
291.01514	21.5
302.06531	19.6
303.01523	21.2
303.07184	22.0
305.03183	28.8
307.04514	20.9
321.02484	33.5
329.04916	46.4
383.06174	23.8
385.07672	27.8
386.04318	16.0
395.05963	17.0
397.07584	35.2
412.06757	19.2
413.06549	15.1
432.20786	14.8
441.06470	17.5
467.03842	18.0
503.07898	36.2
504.07901	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51308	0.2
57.03320	0.2
59.01252	100.0
60.01577	1.1
61.98711	0.8
63.53362	0.2
71.01257	2.7
71.52130	0.2
72.99175	0.2
73.02835	0.6
83.01266	0.4
85.02827	1.0
87.00768	0.3
87.04416	0.2
89.02315	1.8
95.01258	0.2
99.00760	0.2
101.02337	1.4
113.02341	1.6
117.44547	0.2
119.03403	0.7
126.84610	0.2
129.53371	0.2
143.03442	0.3
149.04533	0.2
161.04482	0.5
166.14845	0.2
173.81505	0.2
176.55750	0.2
179.05580	0.3
234.94942	0.2
265.14499	0.2
336.36066	0.2
381.09863	0.4
399.23828	1.8
400.24323	0.3
411.10919	0.2
441.25507	0.2
501.14359	0.2
501.23148	0.3
501.30792	0.5
502.23904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.3
59.01251	100.0
60.01587	1.4
65.41328	0.3
71.01263	3.2
73.02818	3.9
81.02538	0.3
83.01263	1.1
85.02805	0.7
89.02313	0.9
98.19778	0.8
101.02325	4.3
111.00764	3.7
113.02310	2.0
119.03371	0.6
125.02374	0.6
131.03386	0.4
149.04480	1.0
156.56152	0.3
161.04506	1.5
179.05592	0.5
179.56914	0.3
195.13951	0.4
203.10837	0.3
247.13396	1.1
251.06487	0.4
265.14429	1.9
274.76791	0.3
501.23969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26768	0.2
59.01250	100.0
60.01590	1.0
68.39819	0.2
71.01266	1.0
73.02831	0.9
85.02841	0.2
86.41803	0.2
89.02323	0.4
92.43349	0.2
98.19724	0.5
101.02320	1.1
109.61992	0.2
113.02349	0.3
119.03425	0.2
119.07725	0.2
150.54733	0.2
179.05592	0.2
226.79674	0.3
247.13344	0.3
253.18221	0.3
291.91373	0.2
295.16910	0.2
310.06161	0.2
459.32693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72429	0.2
55.24062	0.2
59.01251	100.0
60.01585	1.3
61.71206	0.2
68.26991	0.2
69.03326	0.2
71.01254	4.7
72.99196	0.2
73.02821	7.1
74.03173	0.2
81.68029	0.2
83.01264	1.7
85.02826	0.4
89.02325	1.4
95.01287	0.3
98.20566	0.5
101.02322	7.7
113.02342	2.6
119.03401	0.7
125.02326	0.4
131.03413	0.6
143.03450	0.8
149.04463	1.0
161.04451	2.4
221.06631	0.2
229.18721	0.2
229.56851	0.2
331.37128	0.2
367.95325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79259	0.5
58.86394	0.5
59.01252	28.9
62.87987	0.5
71.01254	100.0
71.52470	0.9
72.01593	2.3
72.99180	19.2
73.02808	1.1
73.99489	0.5
87.00735	1.4
89.02312	1.1
91.03899	1.2
99.20511	0.6
100.11872	0.5
101.02321	1.0
113.02282	0.8
115.00258	27.7
127.44590	0.5
133.01332	10.0
161.04430	1.0
167.14330	0.6
195.13800	4.8
203.05562	0.8
211.13307	0.6
221.06583	1.1
226.08269	0.7
239.44046	0.5
242.15050	0.6
247.13414	1.2
267.23239	0.6
273.02539	0.6
293.21249	11.0
294.21457	1.0
295.05865	0.6
311.22281	68.7
312.22592	8.4
365.23343	1.8
385.25943	14.7
386.26398	2.8
426.88831	0.5
439.27448	0.5
483.26019	9.6
484.26288	1.6
501.27020	4.8
502.27432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74363	0.8
59.01240	2.0
66.15093	0.8
71.01253	100.0
71.52299	1.6
72.01590	0.9
72.99182	13.2
80.46704	0.9
87.00726	1.8
88.46252	0.8
91.03934	0.8
101.44085	0.8
115.00252	15.4
127.22363	0.7
127.79437	0.7
133.01318	1.2
153.12682	1.3
169.12202	1.4
176.50781	0.8
179.55045	0.7
181.12277	3.5
193.66499	0.8
281.80014	0.9
293.21198	6.2
311.22260	55.6
312.22598	4.7
385.25983	13.6
386.26294	1.6
406.72552	0.8
483.25980	6.3
501.26587	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	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00378	0.2
57.03276	0.2
59.01254	3.7
60.01593	0.2
61.98704	100.0
62.18927	0.2
67.34761	0.2
70.84955	0.5
70.85335	0.5
71.01259	1.7
85.02818	0.7
89.02312	0.9
99.00752	0.3
101.02306	1.2
113.02372	0.5
117.94965	0.2
119.03374	0.4
237.04823	0.2
439.24524	0.3
440.24811	0.9
501.30908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.8
59.01250	100.0
60.01588	1.5
61.98684	1.6
68.99677	3.6
69.03339	1.1
71.01250	12.6
71.52093	1.6
72.99168	1.5
83.01260	3.6
83.04899	3.0
85.02831	6.3
87.00749	1.2
87.46330	1.0
89.02314	7.8
93.03330	2.0
95.01266	2.2
95.04865	1.8
97.06472	1.4
101.02322	12.1
102.37087	0.9
106.04143	6.1
107.04913	5.2
109.06466	3.1
111.00753	3.8
113.02338	6.8
119.03400	2.0
121.48920	1.1
132.05675	1.3
138.03041	1.2
143.03389	1.6
149.09621	1.1
159.11726	1.8
161.04488	3.2
175.11172	1.6
177.12772	26.3
179.05464	1.6
185.09778	1.4
195.13843	35.0
196.14206	1.9
203.10703	23.7
203.14359	3.1
204.11020	1.8
214.25339	1.0
221.11780	16.3
223.13228	1.8
229.12346	11.3
235.08148	3.4
237.12520	1.9
237.14926	31.6
238.15353	2.5
239.12775	2.1
247.13374	61.2
248.13646	3.6
253.09291	15.0
258.41895	1.1
265.14410	17.1
266.14682	2.1
399.23993	1.5
457.20938	7.2
483.22220	5.4
501.23413	47.5
501.30109	1.8
502.23743	8.6
526.70087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
58.50941	0.2
59.01252	5.0
60.01579	0.3
61.98703	100.0
62.98420	0.3
64.20219	0.2
69.30230	0.2
69.48526	0.4
69.48942	1.2
71.01247	1.4
73.02839	0.2
83.01270	0.3
85.02841	0.8
89.02346	0.5
90.98518	0.2
98.20545	0.3
99.04456	0.2
101.02337	1.0
109.02836	0.3
113.02359	0.6
119.04903	0.2
126.63534	0.2
147.84979	0.2
153.85156	0.2
163.03918	0.5
178.06352	0.4
193.08690	0.5
194.09035	0.4
200.84883	0.2
255.27684	0.2
283.02573	0.3
291.18256	0.4
292.18567	0.5
293.18808	0.4
294.19052	0.4
297.04178	0.9
323.05777	0.3
339.08752	0.3
347.54425	0.2
351.08841	0.5
380.02704	0.2
381.09799	1.7
382.06427	0.2
411.10931	1.6
439.24774	0.5
440.24817	2.0
452.78873	0.2
483.13303	0.2
501.14096	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	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	0.9
65.00157	0.6
70.08521	2.4
75.71774	0.5
91.03899	0.8
199.13449	0.9
225.24005	0.5
232.09906	0.5
287.83658	0.5
305.86859	0.5
325.44534	0.5
347.25952	0.6
365.26987	8.5
366.27402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01567	1.6
60.30588	1.2
71.51817	2.1
80.67371	1.1
89.02280	1.1
91.03893	1.2
92.75768	1.3
107.73830	1.2
347.26166	1.9
365.26950	9.6
388.01978	1.6
423.83939	1.3
499.33606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
54.52062	0.8
57.03320	1.5
58.00462	1.4
59.01251	48.4
61.98699	2.1
62.41294	0.7
64.83818	0.7
66.86737	0.7
69.03320	0.9
71.01257	20.7
71.52384	0.9
72.99184	1.7
73.02819	7.9
76.00011	0.8
81.24153	0.7
83.01263	2.1
85.02819	4.8
86.01111	0.8
87.00726	1.1
89.02318	10.8
90.47098	0.7
95.01254	1.9
96.95847	0.9
99.00779	1.1
101.02330	10.9
102.06863	0.8
113.02325	5.1
117.03370	0.8
119.03403	5.2
137.09625	0.8
142.19475	0.7
155.10661	3.3
157.08673	0.8
159.49387	0.9
179.05563	1.0
183.10178	3.2
249.18576	9.0
251.20294	0.9
319.22757	16.8
319.26270	1.4
320.22980	1.8
321.24338	3.7
337.23898	2.5
499.29117	100.0
500.29453	16.4
517.77844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
69.20743	5.0
70.20369	0.5
71.01252	100.0
72.01582	1.3
72.99179	15.2
87.00752	0.9
89.02326	1.0
91.03892	1.8
96.84666	0.5
97.06433	0.7
101.79247	0.5
101.90448	0.5
113.09632	0.7
115.00256	21.8
119.43938	0.6
133.01323	8.6
134.01669	0.6
141.09070	0.6
155.83167	0.5
165.12747	1.9
167.14375	0.8
167.85530	0.5
181.12318	1.2
183.13838	0.8
190.38814	0.6
193.12239	0.6
195.13864	0.8
211.13316	1.4
221.15430	1.0
240.13766	0.9
247.20674	2.1
247.65668	0.6
248.20805	0.5
273.18625	1.4
291.19653	19.4
292.20056	2.0
309.20697	46.6
310.21014	5.3
314.17355	1.2
316.11160	0.5
316.14935	0.5
319.22830	0.6
333.00076	0.5
345.20612	0.8
363.21722	0.6
383.24368	20.3
384.24533	2.7
437.25415	0.7
481.24408	6.8
482.24484	0.8
499.25510	2.9
500.25201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10872	0.2
54.34340	0.2
55.01759	0.5
57.03312	0.4
58.00463	0.5
59.01251	13.0
61.98714	0.5
68.81355	0.2
69.03309	0.2
69.30148	1.9
71.01254	8.7
72.01598	0.3
72.99177	0.4
73.02819	5.5
83.01254	1.0
85.02827	2.8
87.00749	0.4
89.02322	2.7
91.45107	0.2
95.01252	0.5
97.02824	0.3
98.20581	0.3
99.00760	6.4
101.02326	5.0
108.02094	0.2
109.02847	0.3
113.02332	6.4
119.03452	0.2
121.02837	2.3
122.03712	0.4
124.01568	0.2
125.02335	1.3
129.01807	0.2
131.03383	1.1
134.52390	0.2
135.04425	0.2
143.03427	0.8
147.04439	0.8
147.20674	0.2
148.05205	88.3
149.05582	4.3
149.99419	0.2
153.01541	0.2
159.02792	0.4
161.04486	4.2
161.32846	0.2
163.07558	100.0
164.07898	5.7
168.00537	0.3
185.04626	0.3
191.05548	0.8
203.05582	0.6
225.83380	0.2
233.11765	0.2
235.13477	0.2
253.09383	0.3
263.12866	0.8
275.07742	0.5
293.08691	0.3
325.12701	0.4
344.95761	0.2
367.13953	0.9
439.16019	0.7
457.17166	16.4
458.17505	2.3
482.20370	0.2
484.66455	0.2
499.18185	16.3
500.18423	2.5
505.59045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68606	0.3
57.03327	2.2
59.01241	1.0
63.68230	0.3
65.26200	0.2
67.01762	2.5
71.51959	0.4
78.95771	0.4
85.02814	0.8
87.00751	6.8
89.02315	0.3
99.00719	0.3
111.00764	100.0
112.01096	3.5
113.12068	0.3
117.01816	0.3
117.64269	0.3
125.51519	0.3
129.01877	0.4
145.48424	0.3
154.99728	0.7
173.00833	5.4
197.19121	0.3
269.21240	2.0
323.22183	0.6
496.84204	0.4
497.25330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2525
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
52.14516	0.8
56.32629	0.7
57.03319	1.6
58.03561	0.8
59.01252	9.1
61.98709	2.4
63.90223	0.8
71.01258	4.0
71.52087	1.0
73.02817	1.6
78.95777	9.5
83.01245	0.9
83.72623	0.9
85.02823	2.5
85.97726	0.9
89.02351	1.3
99.04399	3.8
99.08040	6.9
101.02328	2.8
108.02045	1.3
110.98418	7.8
125.09642	1.7
127.11173	4.3
139.11209	5.3
155.14311	1.6
164.48569	0.9
167.01074	2.3
167.14308	1.2
171.10196	20.6
183.13860	7.5
185.02101	9.3
193.12279	1.8
209.11771	1.3
211.13336	45.4
212.13652	2.8
229.14400	25.4
230.14731	2.1
283.02521	1.3
291.18137	1.1
293.21353	1.6
311.22263	1.2
329.23303	100.0
330.23624	10.4
437.24084	2.8
465.18976	1.4
497.25378	61.0
498.25534	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97758	0.9
55.01763	5.6
57.03312	4.7
58.00459	1.4
59.01252	81.6
60.01588	1.5
61.98703	4.0
64.24821	1.2
69.03334	1.7
69.31997	9.4
71.01253	64.4
72.99188	3.1
73.02821	23.6
75.00756	2.1
76.23152	1.2
81.03303	1.2
83.01254	17.3
85.02299	1.5
85.02821	36.4
87.00751	3.1
89.02311	9.7
95.01254	5.1
97.02829	4.0
99.00751	10.1
101.02325	55.3
102.02678	1.0
103.03884	7.0
113.02334	22.3
114.02638	1.2
119.03384	6.3
125.02351	7.1
127.11139	1.7
129.01805	1.3
143.03442	5.4
145.04872	1.5
151.56961	1.1
159.02901	4.3
161.02434	1.6
161.04471	26.8
163.06058	5.5
171.10243	1.0
205.07260	1.5
215.12727	1.2
215.65471	1.1
229.07053	1.4
247.08173	4.2
289.16562	64.0
290.16989	5.0
301.72681	1.3
307.10321	1.7
312.24515	1.1
314.98184	1.2
333.15823	1.4
435.22354	100.0
436.22626	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97758	0.9
55.01763	5.6
57.03312	4.7
58.00459	1.4
59.01252	81.6
60.01588	1.5
61.98703	4.0
64.24821	1.2
69.03334	1.7
69.31997	9.4
71.01253	64.4
72.99188	3.1
73.02821	23.6
75.00756	2.1
76.23152	1.2
81.03303	1.2
83.01254	17.3
85.02299	1.5
85.02821	36.4
87.00751	3.1
89.02311	9.7
95.01254	5.1
97.02829	4.0
99.00751	10.1
101.02325	55.3
102.02678	1.0
103.03884	7.0
113.02334	22.3
114.02638	1.2
119.03384	6.3
125.02351	7.1
127.11139	1.7
129.01805	1.3
143.03442	5.4
145.04872	1.5
151.56961	1.1
159.02901	4.3
161.02434	1.6
161.04471	26.8
163.06058	5.5
171.10243	1.0
205.07260	1.5
215.12727	1.2
215.65471	1.1
229.07053	1.4
247.08173	4.2
289.16562	64.0
290.16989	5.0
301.72681	1.3
307.10321	1.7
312.24515	1.1
314.98184	1.2
333.15823	1.4
435.22354	100.0
436.22626	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	495.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76941	10.1
57.03330	14.2
59.01247	100.0
61.98690	43.2
69.68022	81.2
71.01270	58.8
73.02812	18.6
78.95762	42.2
85.02814	26.9
89.02283	11.5
97.06482	11.1
101.02341	27.2
113.02325	18.0
133.23259	11.0
136.05591	10.9
152.99504	39.2
161.04541	17.1
166.09285	11.6
171.10130	15.2
223.13391	33.1
253.73615	10.7
327.21793	25.0
494.29565	13.0
495.19302	22.3
495.29202	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03423	1.8
52.31269	1.8
55.01740	1.9
57.03340	3.2
58.00447	1.9
59.01248	97.5
61.98705	19.5
71.00854	2.6
71.01250	50.4
71.51935	3.5
72.99166	3.9
73.02818	19.9
74.98974	6.0
83.01244	10.2
85.02827	19.0
87.00768	4.2
89.02318	33.0
95.01264	2.9
97.02821	3.2
97.96428	1.9
99.00764	3.2
101.02318	57.3
103.03913	10.3
107.24859	2.3
108.02043	6.6
109.02813	2.3
111.00749	2.3
113.02321	17.7
118.97977	2.5
119.03406	15.2
127.85874	2.0
128.03430	1.9
131.03404	4.9
141.01582	3.5
143.03386	8.5
145.04932	4.0
149.04466	1.9
152.01036	12.2
161.04448	8.7
163.06038	29.5
167.03391	14.9
179.05569	4.2
195.06497	2.4
205.07135	13.1
289.16580	46.4
290.16861	2.4
304.88690	2.6
340.12454	2.1
392.05008	2.0
435.22284	100.0
436.22739	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	494.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31745	0.8
59.01251	56.9
60.01585	2.3
61.98703	100.0
69.30672	7.7
71.01254	11.2
72.99163	1.4
73.02819	3.9
78.95774	1.8
83.01269	2.3
85.02834	5.2
87.00788	1.2
89.02322	3.6
90.52719	0.9
98.20583	1.9
99.00757	2.2
101.02335	7.6
108.02068	1.0
109.02837	0.9
113.02327	3.4
114.02674	1.1
116.20624	0.7
120.88528	0.9
123.04463	1.1
147.22763	0.9
161.04512	2.1
171.10149	1.6
225.40199	0.9
278.42694	0.8
303.21185	0.9
327.18091	2.8
327.21667	2.0
332.24838	1.1
345.19205	8.1
346.19299	1.3
360.55548	0.9
387.20422	2.3
476.56213	1.0
493.30081	7.3
494.30542	27.9
495.23560	2.4
495.30670	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	495.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
58.00460	0.9
59.00953	0.8
59.01250	15.6
61.98701	4.5
62.22132	0.3
62.54697	0.3
69.57355	2.4
71.01254	10.8
72.99177	1.6
73.02836	0.5
80.04944	1.4
83.01257	0.7
84.46938	0.4
85.02798	2.9
87.00758	1.5
89.02322	8.6
93.03313	0.4
95.01270	0.7
97.64325	0.4
99.00774	0.5
99.42889	0.4
101.02323	6.3
108.04427	8.3
113.02319	3.2
119.03400	2.9
121.05221	1.1
122.06004	1.6
131.03419	0.6
132.02872	0.5
136.07582	14.8
137.07928	0.4
138.05505	1.7
147.03224	1.8
147.04309	0.6
148.03912	0.5
162.05502	6.1
165.33302	0.3
166.04984	0.9
169.12265	1.4
184.11131	0.4
188.07059	0.5
198.07890	0.5
200.05881	0.4
202.12300	0.4
212.09409	0.8
213.06535	2.0
216.06602	0.5
217.07210	0.3
225.10417	0.8
227.08223	0.5
227.11853	1.5
228.10423	0.7
229.09776	1.7
238.07410	1.5
241.06165	1.1
241.09775	0.4
242.04799	0.4
242.06801	2.1
243.11375	2.3
246.11404	1.0
253.09770	4.9
254.10382	0.8
255.07619	0.6
255.11282	1.0
256.08499	1.5
270.10110	1.3
271.10864	100.0
272.11188	9.4
328.10342	0.4
379.12714	0.6
408.16833	1.0
433.16354	1.4
451.17154	1.2
495.16132	6.6
495.31149	0.4
496.16562	1.0
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
71.51584	3.2
98.06837	1.9
109.02831	4.3
116.68028	1.8
141.96518	1.7
148.01111	1.7
167.26079	1.7
186.54314	1.8
213.05392	2.0
228.04251	4.1
229.05022	3.3
240.56468	1.8
243.53003	2.0
255.02849	4.5
256.03687	12.5
257.04321	4.1
269.04529	3.0
271.02484	4.4
284.03293	12.0
285.04028	29.2
286.04507	2.6
297.04077	2.2
313.03528	62.6
314.03818	7.7
316.02219	4.5
342.55814	2.1
343.04532	22.8
355.04459	4.5
433.07739	100.0
434.08167	13.0
476.08801	2.4
494.10223	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	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	14.7
61.98703	46.6
69.76250	13.0
71.01256	5.0
75.49380	1.9
77.41239	2.3
87.48933	2.5
89.02312	4.6
93.03349	2.1
93.42700	2.3
101.02368	2.6
109.02802	3.3
113.02289	3.7
117.03322	14.6
131.16101	2.1
135.04402	4.5
137.02341	3.2
149.02319	3.5
161.02295	7.9
163.03879	5.5
165.01878	2.7
175.64908	2.8
234.07855	2.6
237.65157	2.7
268.03876	3.7
269.04578	3.3
281.04523	4.9
283.03085	5.0
283.06125	68.1
284.06387	8.7
293.04688	2.7
295.06030	3.4
311.05627	100.0
311.09235	5.4
312.05905	9.5
317.02869	3.1
318.03326	9.6
323.05792	4.2
338.23636	2.5
341.06580	7.4
431.09824	90.0
432.10025	14.1
433.24573	3.7
504.84302	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46253	0.8
55.01749	1.2
57.03323	1.8
58.00462	0.7
59.01252	56.5
60.01565	0.8
61.98704	11.0
71.01261	15.1
71.52034	1.0
72.99172	2.2
73.02821	4.4
75.00728	1.2
75.95243	0.7
77.56847	0.7
77.87341	0.8
83.01251	3.2
85.02826	8.1
85.99980	1.4
87.00764	1.5
89.02315	3.4
95.01279	1.5
99.00795	1.8
101.02327	12.3
105.90820	0.8
113.02363	6.2
125.02329	0.7
161.04492	1.7
171.10152	1.2
192.82906	0.7
237.10124	0.7
271.05725	0.9
275.66907	0.9
289.23108	1.0
313.23996	1.9
331.24997	4.4
366.80246	0.7
433.07800	0.9
433.27975	2.5
447.22760	0.8
451.27466	0.9
475.29276	2.9
476.29510	0.9
479.81476	0.8
493.30194	100.0
494.30566	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85143	0.8
56.55426	0.8
61.22473	0.8
65.00188	1.5
65.99715	1.3
68.99689	1.4
69.03337	2.2
69.58296	2.4
69.58723	3.6
71.01239	1.2
79.01764	1.0
83.01257	1.5
85.02812	1.3
93.03345	2.6
95.01251	3.6
97.02847	4.4
98.19821	0.9
99.00747	3.2
107.01254	2.1
109.02824	6.1
110.39495	0.9
111.00758	5.3
113.02312	1.1
119.04910	0.8
121.02850	3.7
122.02439	0.9
123.00771	4.1
123.04386	1.2
124.01521	2.4
125.02344	8.1
132.04457	1.1
133.02892	2.4
134.02359	1.4
135.00787	1.6
137.02341	12.7
139.00264	3.5
139.03914	1.6
140.01044	1.7
141.01843	6.0
147.04378	1.1
148.01547	1.5
149.02328	3.6
151.00269	8.5
151.03894	3.1
153.01810	6.4
154.02626	1.9
154.57069	0.8
159.04381	1.1
161.02350	3.9
162.01877	6.3
163.00311	3.5
163.03922	1.8
164.01010	1.2
164.03426	7.7
164.98259	1.3
165.01855	7.8
166.02562	1.2
166.99767	3.1
167.03397	5.9
169.01294	1.7
171.03024	1.0
171.04436	1.1
175.03891	2.4
176.01064	2.0
176.03464	2.4
177.01839	6.6
178.99785	2.3
179.03366	2.6
180.02937	1.5
181.01315	2.6
182.02147	2.5
183.02905	3.3
186.01889	1.4
188.03459	1.8
189.01831	1.6
190.01263	4.0
190.02824	1.2
190.99733	2.2
191.03476	1.8
191.29031	0.9
192.00542	2.9
192.02966	1.2
193.01366	9.1
194.01486	0.9
195.02902	3.7
198.03300	0.9
200.03442	1.3
202.05045	0.9
202.99763	1.4
203.03461	1.5
204.02953	3.4
205.01358	3.9
205.05299	1.2
206.04475	8.5
207.02962	2.0
208.02390	0.9
209.00868	9.7
214.01338	4.8
215.03419	1.7
217.01631	1.1
219.02957	2.4
222.03874	1.1
223.02336	1.5
227.03476	1.2
228.02904	1.5
229.01424	1.3
229.05064	1.3
230.02180	1.1
231.02988	2.7
232.02353	6.5
233.04451	1.4
235.02382	3.2
236.05534	1.4
242.02068	2.2
243.02916	5.2
243.05161	1.1
245.00899	8.7
246.01685	2.2
246.04134	1.2
247.02428	2.3
249.04041	1.7
255.02841	1.8
257.00781	2.0
257.04590	2.5
258.01633	3.7
258.04120	1.1
259.02362	6.7
260.03162	1.4
261.03839	1.8
261.06247	1.7
268.02417	1.3
268.06158	1.2
269.03284	1.3
271.02448	5.2
272.03323	4.3
272.05771	0.9
273.00403	8.5
273.03955	2.5
274.01047	4.4
274.03699	1.5
275.02063	2.9
281.03223	1.2
282.04062	1.1
283.02182	1.2
285.00546	0.9
285.03976	3.9
286.01208	1.9
287.01974	5.9
288.02670	8.0
289.03482	3.2
291.01532	1.3
299.01733	1.5
300.02469	1.3
301.03421	10.6
302.06711	1.6
303.01428	3.2
310.03629	2.8
312.05231	4.3
313.02353	7.1
313.05566	2.4
314.02975	4.1
315.01526	2.1
315.04779	1.4
316.02011	5.8
317.03009	4.6
320.01675	1.5
324.07251	3.5
325.02499	1.6
326.03113	1.4
326.08810	5.8
328.04510	1.6
329.02386	1.4
329.05106	9.4
330.06079	3.0
331.04401	6.5
332.04175	1.3
334.03314	1.9
335.03873	1.3
338.03278	1.6
342.08331	1.2
343.03430	0.9
344.04388	1.2
346.03119	1.9
347.04050	4.9
352.06531	1.2
356.04089	14.2
357.04495	1.4
359.04068	1.8
374.05136	20.0
375.05844	1.9
386.05139	5.4
404.06244	4.5
409.07797	2.2
418.05396	1.4
419.06091	1.5
421.07678	8.0
427.08633	1.3
435.05725	2.7
436.06467	12.7
437.07178	6.9
448.08218	1.1
449.07251	1.7
450.09760	1.5
453.06564	2.4
454.07318	4.6
458.07315	6.7
467.08286	3.0
476.08350	53.8
477.08698	8.8
494.09415	100.0
495.09653	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	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85112	1.1
58.00469	2.8
58.84735	1.2
59.01253	100.0
60.01583	1.9
61.98703	6.1
69.03310	1.1
69.49361	2.7
69.49766	8.0
71.01255	47.9
72.99174	3.4
73.02814	1.6
74.98968	1.4
83.01248	2.4
85.02827	8.4
87.00764	3.0
89.02318	71.0
93.03337	1.9
95.01270	4.5
101.01697	2.2
101.02328	26.2
101.93695	1.2
107.04922	4.0
109.02852	2.8
111.04432	2.2
112.98708	1.3
113.02328	21.2
117.03381	1.3
119.03387	32.8
123.04411	4.6
125.02371	1.7
131.03400	3.3
135.04413	8.9
137.02353	24.2
138.02681	1.4
143.03391	8.0
149.02328	5.0
149.04468	3.5
151.00241	2.2
151.03922	16.4
159.04424	1.5
161.02376	2.4
161.04494	8.8
164.06966	2.0
179.03421	73.1
179.05516	34.1
180.03777	4.3
180.05910	1.7
191.03360	1.6
209.04492	12.4
299.01941	3.2
299.07758	16.4
313.03506	1.7
317.03040	5.8
341.06662	16.7
342.06998	2.2
373.05591	1.3
403.06711	1.4
414.16428	2.3
433.24460	4.8
461.10953	8.3
493.09949	1.5
493.22470	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.5
59.01252	100.0
61.98708	5.4
63.13661	2.1
71.01253	48.1
71.52036	2.7
72.99170	5.1
73.02806	3.3
83.01272	2.4
83.04903	5.4
85.02814	9.5
87.00752	4.5
89.02314	59.3
98.80116	2.2
101.02322	30.3
108.02067	3.6
109.02811	3.0
111.00827	2.8
113.02322	19.5
119.03383	26.5
125.02328	3.2
128.20242	2.2
131.03406	2.3
143.03392	6.3
145.04967	2.8
151.00252	4.2
152.01013	5.9
152.45673	2.3
161.04466	10.8
173.08145	2.8
174.93968	2.8
177.01756	3.6
179.03203	2.5
179.05537	32.0
293.12418	5.1
311.05649	3.6
317.02905	6.2
433.07501	3.8
433.24289	8.4
449.19943	7.1
451.32761	17.2
493.10083	6.5
493.22552	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0626
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
54.90999	0.3
59.01249	4.8
59.01524	0.4
61.98730	0.7
63.30140	0.3
65.00230	0.9
67.01797	0.6
70.53575	0.4
70.53914	0.7
71.01255	3.4
72.99217	1.3
73.02853	0.8
75.00787	0.5
83.01298	0.8
85.02821	1.8
87.00777	1.2
89.02355	1.3
89.88076	0.3
93.03367	0.6
95.01263	2.7
96.95908	0.4
99.00791	0.9
101.02352	1.4
108.02082	0.3
109.02877	1.4
110.00019	1.4
111.00764	7.1
111.01469	0.4
113.02338	3.0
119.59647	0.3
121.02872	3.3
123.00779	2.1
123.04459	1.0
124.98722	0.4
127.00327	0.3
127.11087	0.3
129.64029	0.3
133.02878	0.4
136.98711	1.8
137.06023	0.7
137.99512	0.7
139.00273	18.2
139.03903	1.6
140.00687	0.6
141.01833	0.5
149.02348	2.8
151.00368	0.7
151.03935	1.2
152.01100	1.1
159.04430	0.7
161.02365	0.7
164.98257	1.5
165.99019	3.5
166.99773	15.0
167.03442	0.5
168.00279	0.8
171.04460	0.6
173.02434	0.4
175.02415	1.8
175.03976	1.1
177.01826	0.6
178.99826	0.9
181.05028	0.8
183.04469	0.9
185.00822	0.5
185.06129	0.3
186.12408	0.6
187.03969	0.7
189.01833	0.4
191.03476	0.5
193.98492	1.4
194.99284	7.9
195.01064	0.6
195.99670	0.4
199.03961	3.0
200.04375	0.6
201.05551	0.6
203.03502	1.3
208.00053	2.2
211.04031	0.6
215.03491	0.6
217.05048	0.8
219.02963	0.4
226.02667	0.3
227.03421	2.2
228.03963	0.5
229.01282	0.4
229.05049	0.5
230.02177	0.5
231.02948	2.0
243.02942	2.1
244.03477	0.4
245.04512	2.7
255.02945	1.7
271.02466	4.9
272.02872	0.7
273.04037	1.6
283.02438	0.8
284.02835	0.7
285.03064	1.0
287.02045	0.6
289.03497	0.4
299.01971	5.3
300.02515	0.6
301.03519	0.4
311.07709	0.8
316.02081	1.1
317.03009	100.0
318.03333	9.0
333.19168	0.5
363.20325	1.2
405.07291	0.4
433.24265	1.0
492.19449	1.5
493.06140	11.7
493.13095	0.8
493.18942	2.2
494.06573	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	493.0622
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
52.18087	0.4
57.03333	0.5
59.01250	3.0
61.98706	2.3
63.02271	0.6
65.00198	1.8
69.42706	2.4
71.01253	2.9
72.58242	0.3
72.99181	1.7
73.02824	0.6
75.00738	0.4
81.03379	0.5
83.01243	2.0
85.02840	1.9
87.00751	0.5
89.02304	1.3
93.03319	0.8
95.01276	2.4
95.21212	0.3
97.02832	0.5
99.00769	0.9
101.02334	0.9
103.00275	0.7
106.04597	0.4
107.01272	2.7
108.02095	0.5
109.02838	7.0
109.99959	0.6
111.00755	3.8
113.02338	2.2
117.03355	0.6
119.03394	0.4
119.04926	0.5
121.02834	2.2
123.00784	2.1
123.04405	0.3
124.01566	0.8
125.02330	3.9
133.02853	0.6
133.04741	0.3
135.00764	0.7
136.98689	1.0
137.02339	4.8
137.99405	0.4
139.00275	7.8
139.03896	1.0
143.04958	0.4
147.04446	0.5
149.02351	2.6
151.00272	10.1
151.03874	0.5
152.01039	1.9
153.01851	1.1
155.04927	0.3
159.04471	0.3
161.02338	0.9
161.05997	0.5
163.00284	2.8
163.03923	0.7
164.01036	2.0
164.98184	0.4
165.01830	1.4
165.05360	0.4
165.99017	1.4
166.99770	5.7
168.00278	0.4
169.01329	1.0
171.04433	1.4
173.05994	0.5
175.03882	1.1
177.01865	1.0
178.98212	0.6
178.99782	9.0
180.00342	0.6
183.04433	1.2
185.02444	0.4
187.03993	0.9
189.05508	0.5
190.02696	0.3
190.99786	0.9
191.03348	0.6
192.00548	0.6
193.01363	1.5
193.03473	2.4
193.98553	0.3
194.99289	2.7
195.06575	0.5
197.02379	0.4
198.65092	0.4
199.03923	3.3
201.01929	0.8
201.05550	0.7
203.03381	1.1
205.01347	0.5
206.99255	1.4
208.00061	1.4
215.03410	1.0
217.04999	0.6
227.03453	3.0
231.02856	1.4
242.02051	0.6
243.03000	2.4
244.03435	0.5
245.04449	1.6
255.02989	1.6
256.03824	0.5
261.04016	0.6
271.02457	6.2
272.02896	1.1
273.04071	3.0
283.06110	2.4
287.02032	0.7
289.03516	0.7
299.01971	9.1
300.02286	0.7
311.05597	4.1
316.02249	1.0
317.02997	100.0
318.03351	10.2
431.09875	4.2
450.31406	0.4
460.06384	0.4
493.06097	9.5
493.12875	0.8
494.06671	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	491.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
57.03311	0.1
58.00463	0.2
59.01250	4.4
68.73325	0.1
71.01254	4.0
71.40857	0.1
71.41174	0.1
72.99172	0.3
73.02825	1.1
75.00748	0.1
83.01248	0.6
83.52688	0.1
85.02348	0.1
85.02828	0.8
86.25819	0.1
87.00751	0.6
89.02316	2.8
91.03867	0.2
95.01260	0.2
97.02832	0.1
97.12025	0.1
99.00762	0.3
101.02328	3.8
102.02701	0.1
103.03851	0.1
113.02327	1.6
115.03882	0.1
119.03398	0.9
125.02360	0.2
127.03956	0.1
131.03391	0.1
133.04961	0.4
143.03403	0.3
157.05005	0.1
161.04454	1.3
177.71619	0.1
179.05527	0.4
217.07216	0.1
235.08195	1.6
236.08521	0.2
237.22205	0.1
253.09280	11.6
254.09633	0.7
255.23279	100.0
256.23621	9.9
315.23062	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	491.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34431	0.2
55.01753	0.3
57.03323	0.3
59.01253	4.3
63.44831	0.2
69.03357	0.2
71.01250	3.6
72.99185	0.3
73.02817	0.8
73.14590	0.2
76.85761	0.2
83.01262	0.3
83.04905	0.2
85.02811	1.2
87.00746	0.7
89.02321	3.3
91.03888	0.2
95.01279	0.2
95.70565	0.2
97.02797	0.3
98.20578	0.4
99.00751	0.3
101.02329	4.0
101.02991	0.2
111.04376	0.2
113.02335	1.4
119.03384	0.8
125.02288	0.2
130.00325	0.2
133.04980	0.4
143.03387	0.3
157.04948	0.2
161.04465	1.2
176.79471	0.2
179.05579	0.3
197.40630	0.2
235.08223	1.4
253.09273	12.2
254.09586	0.6
255.23276	100.0
256.23633	9.0
281.60831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65509	0.4
55.01754	0.6
57.03303	1.1
58.00464	0.8
59.01250	28.1
61.98690	0.7
69.03309	1.1
69.22794	3.8
71.01251	15.5
72.99172	1.6
73.02815	3.9
75.00754	0.7
82.31306	0.3
83.01254	2.8
83.06393	0.4
85.02825	6.4
87.00744	4.9
89.02325	4.1
95.01250	1.2
95.12579	0.3
97.02835	1.1
99.00761	1.3
99.08018	0.7
101.02325	7.6
108.02052	1.3
109.02837	0.5
111.00777	0.8
112.01536	0.7
113.02328	4.6
124.01567	1.2
125.02328	1.6
127.11135	0.7
141.12727	1.1
143.03372	1.1
155.14314	0.4
161.04387	0.5
167.03476	0.4
185.11665	0.5
187.56523	0.5
209.11777	1.6
211.13303	2.0
219.10216	3.1
227.12949	0.5
237.11282	5.6
241.21648	0.5
253.09245	1.4
255.12343	0.6
269.21179	5.7
285.20639	0.6
287.22278	40.3
288.22626	5.6
293.21143	0.5
299.22180	0.9
301.23724	0.7
311.22186	0.7
329.23224	1.8
371.10666	0.5
372.87161	0.4
401.11313	0.5
431.26480	20.5
432.26807	2.9
449.27533	45.0
450.27933	5.9
459.28024	0.4
473.20316	1.5
491.28580	100.0
492.28928	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	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03315	1.7
59.01252	30.5
62.92962	0.7
69.62854	4.1
71.00894	1.2
71.01253	13.1
72.99168	1.5
73.02826	3.0
83.01253	3.1
85.02839	5.2
85.99962	0.8
87.00756	4.7
89.02319	3.1
95.01254	1.0
97.02819	1.1
99.00757	1.4
101.00042	0.6
101.02315	7.6
108.02032	1.8
113.02346	4.1
113.09586	0.7
119.03445	0.7
124.01546	1.6
125.02357	1.9
127.11154	1.2
143.10663	0.9
160.01373	0.8
162.96129	0.7
171.10129	1.0
209.11748	2.3
211.13319	1.7
219.10184	1.4
237.11330	3.6
269.21152	4.5
287.22272	43.3
288.22632	3.9
299.22354	1.1
329.23392	2.4
381.20807	0.8
384.64124	0.7
431.26483	19.8
432.26797	2.5
448.14703	0.7
449.27548	43.4
450.27725	6.8
482.17181	0.8
491.28598	100.0
492.22202	1.3
492.28995	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89822	0.4
51.78847	0.4
52.30518	0.4
59.01251	100.0
60.01594	1.5
61.98711	2.8
66.69708	0.5
71.01256	1.8
71.52354	0.7
72.99193	0.5
85.02837	0.9
87.00774	1.8
89.02336	0.7
92.02586	1.1
95.01278	2.1
96.75790	0.5
101.02332	0.7
108.02047	4.0
123.06441	0.5
136.01563	6.0
164.38615	0.5
172.74171	0.4
174.01672	0.8
178.08784	0.5
180.92683	0.5
183.08069	0.8
201.79047	0.5
227.07089	50.8
228.07465	3.9
250.73886	0.5
311.22443	0.9
329.23242	1.1
349.19534	0.7
428.16058	1.1
429.16693	0.7
449.27866	0.7
491.28625	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03315	3.8
58.00454	1.3
59.01253	29.8
67.01785	0.9
68.99742	0.9
69.03316	3.3
70.38665	2.1
71.01257	48.1
72.99179	3.3
73.02824	14.3
74.41081	0.8
81.03317	1.2
83.01254	7.5
85.02825	20.0
85.99964	1.1
87.00755	21.2
89.02317	2.8
95.01273	3.8
97.02844	3.6
99.00760	6.1
101.02324	23.0
111.00778	1.8
112.01549	4.0
113.02332	18.4
113.09617	1.4
114.02744	0.9
123.08072	1.4
124.01558	3.1
125.02386	6.5
127.11181	1.1
129.01859	2.5
142.02626	1.0
143.03433	1.4
143.10715	1.6
159.02887	2.5
161.04457	13.2
171.10242	1.3
204.31657	0.8
211.13483	0.8
241.21730	1.2
269.21252	9.5
287.22281	57.6
288.22714	6.8
299.20013	1.3
301.23831	1.9
329.21310	10.3
337.48779	0.8
377.13376	0.8
401.23471	3.7
402.23740	1.4
431.21811	1.1
431.26489	88.6
432.26855	12.5
449.27548	62.7
450.27866	7.8
491.28595	100.0
492.28943	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	30.8
59.47044	0.7
59.97977	0.7
60.01607	0.8
61.98695	1.5
69.03352	1.2
71.01252	5.1
73.02818	1.3
73.83067	0.7
75.00745	0.8
81.03333	1.1
85.02815	1.8
89.02332	3.7
93.03344	0.7
95.01266	1.6
98.19781	1.6
99.00761	0.9
101.02331	2.0
108.02052	62.1
109.02858	20.8
113.02339	2.0
116.78542	0.7
119.03418	1.1
119.04955	0.9
121.02833	1.1
123.00733	1.2
125.02329	0.7
132.02075	5.8
133.02859	4.5
134.03638	6.8
135.04451	5.6
137.02348	1.3
149.06032	1.3
152.01057	71.3
153.01860	19.2
154.02242	1.1
160.01566	32.8
161.02356	20.1
161.04355	0.9
162.02666	1.0
163.03920	1.1
165.01898	1.4
175.03918	29.4
176.04327	1.4
179.03400	3.5
193.04926	3.4
195.10214	2.0
243.06506	0.8
265.07190	0.8
289.88058	0.9
315.07239	18.5
323.07700	3.2
337.09369	0.9
368.85553	0.7
447.12949	2.2
459.09299	1.2
491.11954	100.0
492.12250	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01251	8.7
61.71006	0.5
69.83402	1.6
69.83816	1.2
71.01249	5.5
83.01253	0.7
85.02823	2.0
89.02331	2.7
89.02795	0.5
93.03335	0.7
95.01281	0.9
101.02331	2.4
104.79655	0.5
107.04913	0.9
108.02048	16.9
109.02825	1.6
112.82284	0.6
113.02347	2.4
117.03352	1.1
119.03394	0.7
121.65047	0.4
123.04405	8.0
132.02090	1.0
133.02847	31.5
134.03554	1.8
135.04417	33.1
136.04768	1.9
137.02342	0.9
143.03423	0.6
149.05989	1.9
152.01057	43.2
153.01512	1.8
159.04381	0.8
161.02348	100.0
162.02670	5.6
167.03404	43.2
168.03746	2.1
175.03905	1.7
176.04291	0.5
177.01749	0.7
177.05472	5.2
178.02597	1.1
179.03426	25.7
180.03783	1.1
200.95148	0.5
203.03404	1.9
220.03716	1.2
221.04492	8.7
251.05598	0.9
259.37787	0.5
263.05606	1.2
267.07687	0.6
280.05759	1.4
294.20972	0.5
323.07703	96.9
324.08032	9.6
447.12823	0.8
491.11893	33.7
491.17126	1.4
492.12262	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97751	0.4
57.03301	0.7
59.01250	30.4
61.98702	1.7
65.20406	0.4
66.65949	0.4
69.03342	0.5
69.28973	4.0
71.01253	6.1
72.99168	0.5
73.02822	1.2
75.00774	0.6
75.12070	0.4
81.03334	1.4
85.02818	3.2
87.00764	0.5
89.02319	4.9
93.03319	1.0
95.01271	2.1
97.02821	0.5
101.02331	3.2
103.47772	0.4
108.02055	59.9
109.02860	18.8
110.03177	1.0
113.02329	2.1
117.03337	0.6
119.03400	2.3
120.20998	0.4
120.21777	0.4
121.02863	1.1
123.00768	1.7
123.04428	1.3
124.01653	0.4
125.02335	1.2
131.47978	0.5
132.02057	7.4
133.02852	5.2
134.03636	7.6
135.00764	0.9
135.04419	4.7
137.02339	1.4
147.04402	0.5
147.35933	0.5
149.06009	1.3
151.04004	0.5
152.01059	68.8
153.01848	17.9
154.02112	0.8
154.72548	0.4
160.01569	30.7
161.02354	18.7
161.04451	1.0
162.02686	0.8
163.03886	1.5
165.01871	1.0
167.03357	0.5
175.03920	24.2
176.04286	1.3
177.01869	0.5
178.02614	0.7
179.03445	3.4
179.05522	1.4
181.04977	0.5
187.00346	0.5
193.04979	3.7
195.10249	0.8
200.45026	0.4
225.03915	0.6
228.04178	0.7
243.06505	0.8
285.04376	0.5
315.07224	17.0
316.07538	1.6
323.07718	4.0
332.56747	0.5
337.09213	1.3
403.06793	0.5
447.12900	2.1
459.09106	1.4
468.03259	0.5
491.11945	100.0
492.12277	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	491.0831
Annotation	Tricetin 3'-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
57.03308	0.8
59.01247	10.7
59.95125	0.5
61.98679	1.1
63.03568	0.4
65.00196	3.2
70.39009	0.6
70.39359	1.7
71.01247	6.2
72.99174	1.7
73.02816	1.0
75.00757	2.2
83.01271	0.6
85.02824	3.8
86.92625	0.5
87.00751	1.2
89.02295	2.3
95.01249	1.6
97.02797	0.9
99.00767	2.4
101.02327	1.8
103.00237	0.7
108.02011	0.5
109.99950	0.5
111.00721	0.9
113.02336	8.9
115.00245	1.3
123.04408	0.5
125.02351	0.4
129.01802	0.6
131.03423	0.6
133.02869	0.9
134.03607	1.0
136.98701	6.6
139.00290	0.5
149.99426	0.6
151.00237	0.8
163.00243	0.9
165.98964	1.0
172.05229	0.6
174.03122	0.8
175.02490	3.1
175.03835	0.9
187.03796	0.6
199.03984	1.4
200.04659	1.0
201.01872	1.6
202.02634	1.3
211.13460	0.6
213.01842	1.0
214.02730	0.7
216.04263	2.5
227.03387	1.6
228.04213	2.6
230.02150	0.8
239.14272	0.6
243.02959	1.5
255.02989	1.4
256.03711	1.4
267.13837	1.7
271.02515	1.1
272.03235	1.5
283.02563	0.8
299.01923	2.7
300.02740	44.4
301.03143	5.1
311.12894	1.7
313.03680	1.2
314.04221	2.1
315.05096	100.0
316.05408	10.1
329.13998	1.3
359.20605	1.0
409.05243	0.5
417.33508	0.5
419.06158	0.5
429.08289	0.5
491.08160	11.3
491.19437	1.0
491.25345	0.9
492.08481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98697	0.5
57.01442	0.5
59.01249	100.0
60.01589	1.2
61.98708	0.8
70.27415	0.6
70.27755	2.0
71.01244	3.2
73.02827	1.9
85.02847	1.9
87.00711	0.7
89.02339	0.9
90.91394	0.5
93.03311	0.8
101.02338	2.2
105.60516	0.5
113.02354	1.6
121.31173	0.6
122.33264	0.6
131.79489	0.6
132.03716	0.7
141.25285	0.6
244.03647	0.6
259.02609	0.6
264.49066	0.6
271.02509	1.0
272.03354	2.5
285.00381	1.3
286.47003	0.6
287.02020	5.2
327.18222	2.0
327.21774	0.8
330.04138	0.7
345.19391	1.8
387.20181	4.3
420.07092	3.4
489.27258	2.4
489.33850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21409	0.5
56.93907	0.5
59.01250	100.0
60.01583	1.0
67.82866	0.5
71.01250	8.7
73.02826	4.9
73.13371	0.6
83.01272	1.8
85.02380	0.9
85.02797	3.8
87.00764	1.1
89.02314	3.1
90.55190	0.5
97.02773	0.6
101.02317	8.1
101.02918	0.7
103.03905	0.8
104.08232	0.5
109.02819	0.6
111.00813	0.6
113.02352	3.4
119.03404	1.7
125.02347	1.2
131.03389	0.6
143.03459	1.2
161.04507	2.5
163.06053	2.1
179.05568	1.1
204.11586	0.7
205.07141	0.7
225.15067	1.7
283.12003	2.2
327.05228	1.0
351.60941	0.6
369.19177	5.7
370.19534	1.1
372.59741	0.6
387.20181	4.0
388.20688	0.8
429.17761	3.9
429.22449	1.4
471.47171	0.7
489.11642	0.7
489.20081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
58.58250	0.9
59.01249	100.0
60.01566	0.9
70.15594	0.9
71.01250	19.3
71.51862	0.9
71.52244	1.6
72.99174	1.2
73.02815	8.0
76.40589	0.8
83.01263	4.8
85.02821	8.2
87.00764	1.9
89.02320	4.3
95.01257	1.5
99.00742	2.6
101.02321	17.5
109.02805	1.2
113.02325	6.4
119.03345	1.5
125.02265	1.7
125.19061	0.8
136.58914	0.9
143.03368	1.8
158.30548	0.8
159.02907	1.8
161.04462	8.6
181.01285	1.0
188.16281	0.8
195.78044	0.8
196.32779	0.8
230.18227	0.8
267.15988	0.9
283.11838	17.2
284.12036	1.0
285.56259	0.9
297.31161	0.8
369.19232	4.3
387.20221	3.3
429.17435	26.8
430.17792	3.7
489.12747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.8
69.52081	11.8
69.52484	3.6
71.01254	86.5
72.99186	31.7
75.58338	2.1
87.00758	28.4
89.02344	9.8
98.20571	2.9
101.02358	2.7
113.02396	5.1
115.00261	30.2
116.00578	2.3
129.01834	10.0
147.02898	100.0
172.03375	1.9
179.05580	6.2
195.64040	2.1
238.05241	2.1
271.80167	2.2
341.10831	30.4
493.85361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18973	0.9
55.14896	0.9
57.03310	1.2
59.01252	100.0
60.01566	1.3
61.98716	1.4
62.28365	0.9
71.01255	16.2
71.51519	1.1
71.51864	1.2
72.99190	1.1
73.02817	9.5
75.00774	0.9
83.01271	4.9
85.02827	7.8
87.00779	1.1
89.02328	4.8
97.02792	1.4
99.00735	2.1
101.02316	13.8
103.03908	1.3
109.02872	1.4
113.02344	7.5
118.87280	0.9
119.03412	0.9
125.02338	1.4
137.18266	0.8
141.15482	1.1
154.27411	0.9
159.02995	0.9
161.04483	5.5
163.03062	0.9
181.01357	1.2
199.42329	1.0
283.11902	19.1
284.12231	1.0
325.03357	1.1
369.19009	5.2
387.20242	4.7
429.17435	21.8
430.18033	2.7
484.78482	1.1
489.12924	1.3
511.96506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1403
Annotation	3',4',7-Tri-O-methylisoorientin
Peak:m/z	Relative Intensity
52.83001	0.7
55.01756	0.7
59.01250	11.7
61.18438	0.6
61.98716	0.8
65.57974	0.6
69.46470	4.1
71.01254	2.7
74.90258	0.7
83.01267	0.7
85.02827	1.4
87.00745	1.8
89.02339	1.1
90.49383	0.6
90.98491	1.6
95.01277	0.9
101.02348	2.2
113.02316	2.0
121.02842	0.7
125.02254	0.8
126.09758	0.6
135.00769	0.9
137.02350	0.9
151.00359	0.7
161.04498	0.7
163.00325	0.7
177.09087	2.1
226.31404	0.8
227.03519	1.1
228.04161	1.0
242.02193	2.4
243.02950	4.8
244.03735	1.6
255.02951	2.1
256.03769	2.3
257.04456	1.6
258.01712	5.3
258.04196	0.9
259.02475	6.5
269.04556	1.9
270.01709	9.7
270.05118	1.8
271.02493	22.6
271.05475	1.2
272.03256	62.5
273.03653	5.7
282.02039	0.9
283.02478	16.0
283.05698	1.3
284.03162	2.7
285.04007	4.6
286.04651	0.9
287.02121	1.3
295.02390	1.3
297.00650	1.6
297.04034	24.6
298.04495	3.6
299.02011	2.6
299.05341	0.8
300.02625	1.5
301.03442	1.2
304.02328	4.8
309.04071	1.3
311.05591	5.7
311.09000	1.1
312.06226	2.2
313.03491	1.5
325.03482	3.1
325.07190	4.6
326.07767	2.2
327.08722	25.9
327.21741	1.4
328.09213	2.5
330.03775	1.4
339.04739	0.8
339.08707	13.9
340.09396	6.2
341.10272	4.3
353.10339	4.0
366.07266	2.3
367.07938	1.3
369.09781	100.0
370.10104	12.3
381.09839	6.0
382.10196	1.1
383.11511	1.6
399.10825	67.1
400.11191	7.9
411.11176	0.9
429.11804	0.8
429.24814	1.4
441.11743	1.0
447.25845	0.9
447.42761	0.8
454.83255	0.7
471.12952	10.6
472.13138	1.5
489.14029	82.1
489.26871	5.7
490.14441	11.8
498.30301	0.7
509.71286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	44.7
60.17714	2.4
61.98709	7.2
65.00197	2.4
71.01257	9.6
71.14941	4.6
73.02830	6.9
81.03334	4.1
83.01266	4.4
85.02828	3.5
89.02331	4.2
93.03333	7.0
95.01315	3.3
95.04942	3.5
97.02822	4.8
101.02350	6.8
109.02836	5.7
110.38101	2.0
117.03356	10.0
121.02852	8.2
123.04454	4.0
125.02336	12.1
133.02873	8.0
134.02390	3.0
135.04425	5.6
137.02348	12.2
138.03130	3.3
147.04430	2.6
149.02356	6.6
150.03195	2.5
151.00343	5.7
151.03915	9.4
153.01855	6.6
156.04530	5.0
160.03839	2.1
161.02386	4.8
162.01880	3.4
163.00349	6.0
163.02693	2.7
163.03964	4.5
163.06056	6.5
164.01012	2.1
165.01836	13.2
166.02663	9.5
167.03383	8.3
174.05524	2.7
176.03535	6.0
177.01909	4.7
179.03444	19.8
180.03766	2.8
189.01982	3.9
191.03462	7.6
193.01398	6.8
197.04491	2.7
203.03450	4.2
205.07059	2.7
206.04529	28.6
219.03040	3.5
230.04575	2.9
269.04599	6.5
271.06174	4.8
278.06985	3.4
281.04544	8.4
282.05292	13.2
283.06094	28.6
284.03177	4.3
284.05975	5.1
285.04028	3.8
295.06064	6.8
297.03928	14.2
298.07419	4.2
299.05499	11.8
311.05615	39.2
313.07227	4.3
314.04282	2.6
322.07278	6.3
323.05707	8.3
326.09033	27.8
327.05118	34.1
328.05460	4.4
339.05145	4.0
340.08365	16.5
341.06497	13.3
350.06647	17.2
351.07031	2.9
357.06277	13.6
368.07748	100.0
369.08121	9.6
370.09219	4.1
380.07678	5.4
397.08945	2.4
398.08878	29.8
399.09296	2.9
431.09839	25.4
432.10297	3.2
447.09525	9.7
470.11063	13.5
488.12076	83.3
489.12177	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.8
61.98701	3.7
71.01249	10.4
71.52430	1.8
72.99145	1.3
73.02827	4.7
83.01287	2.7
85.02834	7.0
87.00732	4.6
89.02319	2.7
93.03345	1.5
99.00723	1.7
101.02325	9.2
109.02868	1.5
113.02354	6.9
116.03929	1.3
121.06424	2.1
122.46521	1.2
137.02354	1.6
137.09604	5.5
161.04475	6.9
165.69650	1.2
175.11285	2.6
177.12697	1.8
180.84921	1.2
187.11212	4.1
203.10733	1.4
204.11482	3.5
205.12273	46.1
206.12590	3.8
229.12398	2.9
247.13339	5.9
255.02815	1.5
259.13391	2.7
277.14404	3.1
283.02502	2.1
284.03033	1.6
285.04117	2.8
349.16620	3.5
367.17538	5.2
368.07877	1.4
395.01849	1.3
409.18716	3.4
450.91116	1.3
487.16675	1.8
487.24133	2.0
488.11789	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	487.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19024	0.6
52.97557	0.6
54.00042	0.5
59.01251	11.8
61.98687	1.1
65.00206	1.1
71.01240	2.5
71.52514	0.7
73.02844	1.6
83.01269	1.8
85.02803	0.9
87.00741	0.9
93.03335	13.1
93.06978	1.4
95.01298	0.8
101.02340	2.3
102.05547	0.7
109.02840	1.1
113.02343	1.1
117.03352	10.4
117.06953	1.2
119.03291	0.6
119.04937	0.8
121.06487	2.6
125.02309	1.1
130.04126	0.7
135.04373	1.3
137.02364	0.9
145.02872	1.2
145.06534	4.0
152.97908	0.6
156.05748	0.8
158.03648	0.8
159.04385	1.1
161.02345	21.2
161.09552	1.0
162.02728	1.2
163.07579	1.9
163.70412	0.6
171.04344	1.5
172.05234	0.9
173.05956	1.5
175.11275	1.0
177.05402	0.6
177.09129	1.9
187.07442	0.9
191.10725	1.2
201.05450	2.9
201.09148	1.8
203.07089	1.0
203.10742	2.0
205.08647	4.3
209.11630	0.7
215.07147	1.1
217.05038	1.0
217.08690	1.4
219.10201	2.2
228.04189	1.2
229.08737	0.9
231.06619	2.5
235.09787	1.0
239.10680	1.8
243.06546	1.2
245.04541	1.8
245.08177	3.6
247.09731	2.2
267.06561	0.9
273.07690	8.1
277.10562	1.0
303.08728	3.4
323.12827	2.4
325.10797	6.1
325.20074	1.0
337.10739	1.4
339.12418	6.9
340.12537	1.2
367.11853	100.0
368.12189	14.1
379.11993	1.1
397.12927	25.1
398.13138	3.0
409.12973	1.2
469.14975	1.5
487.16537	4.2
487.25577	7.7
488.16183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70143	0.4
59.01252	5.7
61.05433	0.4
61.98698	0.9
65.00171	0.7
69.03311	0.7
70.90602	0.5
70.90931	0.7
71.01244	1.7
79.01777	0.9
81.03342	0.5
83.01267	1.5
85.02804	0.6
89.02319	0.6
93.03338	11.5
93.06982	0.6
95.01249	1.2
95.04900	0.6
101.02312	1.1
108.02039	1.0
113.02317	1.0
117.03343	8.8
117.06969	1.2
119.04932	0.9
121.06482	2.4
125.02332	0.9
133.10147	0.4
134.03665	0.6
135.04413	2.2
137.02338	0.8
145.02873	0.7
145.06493	4.2
147.08000	0.6
157.06487	0.7
158.03610	0.6
159.04324	0.6
161.02350	20.7
161.09608	1.3
162.02690	1.0
163.07538	2.0
171.04454	1.3
173.02374	0.4
173.05936	1.1
173.09579	0.8
175.11131	0.5
176.01054	0.5
177.09140	1.9
185.09521	0.6
187.07581	1.2
189.05542	1.0
189.09178	0.6
191.10748	0.9
201.05502	1.8
201.09148	1.5
203.07042	1.0
203.10695	1.5
205.08650	4.4
213.09117	0.6
215.03470	0.4
215.07108	0.5
215.10863	0.5
217.04973	1.1
217.08694	2.2
219.10179	2.4
225.05374	0.4
228.04311	0.8
229.04849	0.5
229.08667	1.1
231.06525	2.8
235.09686	1.4
239.10767	1.4
242.05843	0.5
243.02876	0.5
243.06595	1.6
245.04575	2.4
245.08131	4.0
247.09799	2.7
254.05756	0.7
256.03513	0.4
257.04526	0.4
257.08240	0.5
259.09573	0.5
265.08588	0.5
267.06747	0.6
269.04657	0.6
273.07690	6.7
274.08008	0.8
275.05734	0.5
277.10684	0.6
279.06470	0.5
279.13928	0.5
281.11908	0.6
295.13229	0.7
303.08704	3.3
310.05002	0.5
323.12759	2.7
323.16150	0.4
325.10825	6.1
326.11154	0.8
337.10916	2.6
339.12427	8.5
340.12720	0.9
346.93597	0.4
351.12216	0.7
367.11841	100.0
368.08575	0.5
368.12167	15.8
379.11725	2.0
397.12912	24.4
398.13199	3.5
409.13013	1.0
427.13785	0.8
445.24445	0.9
451.63071	0.4
469.14899	2.3
470.15652	0.6
487.16354	5.3
487.25458	3.2
488.16559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49834	0.7
57.75648	0.6
59.01252	7.0
61.98698	1.7
65.00217	0.8
69.03320	0.8
71.01243	1.9
71.52119	0.7
72.07791	0.8
79.01756	1.5
80.02511	0.9
80.51315	0.7
81.03313	0.8
83.01251	1.9
85.02783	0.6
93.03336	17.5
93.06940	0.9
95.01267	1.5
97.02816	0.9
107.01289	1.3
108.02065	1.9
109.02824	1.5
113.02342	1.6
117.03343	12.5
117.07010	1.8
119.04930	0.7
121.02833	1.1
121.06490	4.1
123.08011	1.0
125.02319	0.8
130.04100	1.2
135.04420	1.7
137.02367	1.7
141.22701	0.7
145.02826	1.3
145.06473	7.8
156.05707	0.9
157.06554	1.0
158.03636	1.2
159.04385	1.0
161.02348	22.6
161.09654	1.7
162.02789	1.8
163.07558	2.7
171.04384	1.6
172.05202	1.5
173.05994	1.3
175.11305	0.8
177.09134	2.4
187.07553	1.2
189.01950	0.8
189.09225	1.0
201.05487	2.2
201.09134	3.1
203.07112	1.5
203.10764	2.2
205.08655	6.1
215.03546	1.0
217.05040	1.5
217.08603	1.6
219.10190	3.1
228.04163	1.3
229.08617	1.3
231.06512	4.9
235.09688	1.6
239.10794	2.5
243.03020	1.2
243.06580	2.3
245.04507	3.1
245.08215	7.0
247.09750	3.6
273.07681	15.1
274.08072	1.0
295.13464	1.1
303.08612	6.0
311.12820	0.9
323.12909	2.6
325.10788	9.0
326.11127	0.9
337.10855	2.6
339.12402	9.1
351.12625	0.8
367.11844	100.0
368.12158	12.0
379.11783	2.4
397.12912	35.8
398.13217	4.2
409.12982	1.2
464.75754	0.8
469.15271	2.3
487.00104	0.8
487.16019	17.6
487.24579	1.7
488.16513	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	487.1247
Annotation	Isoswertisin 2''-acetate
Peak:m/z	Relative Intensity
55.29556	0.4
59.01259	5.1
66.90918	0.4
69.03340	0.5
69.66550	2.4
71.01257	1.0
83.01291	0.5
84.42816	0.4
85.02850	0.6
89.02336	0.7
93.03316	0.9
95.01283	1.6
97.02853	0.8
101.02337	1.5
103.03879	0.7
107.01299	2.9
108.02045	1.4
109.02850	5.5
111.00789	0.6
119.03362	0.5
121.02861	3.9
123.00784	1.5
124.01574	2.5
125.02359	7.4
130.38374	0.4
135.04446	0.8
137.02344	1.1
145.08524	0.5
149.02386	0.7
151.00264	9.7
152.00571	0.6
161.06013	0.5
163.03925	1.5
164.04713	18.9
165.05008	1.1
169.01294	0.8
173.05983	0.8
179.07069	14.1
180.07397	0.6
185.05981	1.3
187.07552	1.3
201.05469	0.7
212.04759	0.8
213.05525	1.0
229.04996	0.8
239.06993	0.8
251.07086	0.6
256.03723	0.7
257.04474	0.6
259.02667	0.5
268.07230	0.4
271.02563	0.6
272.03409	0.5
279.03085	0.5
279.06549	1.2
280.03821	0.5
281.04565	1.5
282.05096	0.5
283.02472	3.8
283.05811	0.9
285.04245	0.8
293.04633	0.7
293.08151	0.8
295.02817	0.7
295.06088	3.2
296.06677	1.0
297.04028	9.2
297.07272	0.8
298.04324	1.3
307.06122	2.9
308.03302	0.7
309.04059	8.1
309.07657	1.9
310.04678	1.8
320.06845	1.7
321.07654	4.8
322.07983	0.7
323.05594	8.9
323.09357	0.6
324.06461	2.9
325.07159	13.3
326.07507	1.1
333.07574	0.5
337.03580	0.8
337.07178	12.7
338.07843	4.8
339.08731	3.5
349.07141	1.5
351.05005	2.3
351.08807	3.6
352.05728	2.6
353.06488	0.5
358.04929	0.6
364.05859	1.5
365.06564	1.1
366.07419	0.6
367.08228	53.7
368.08658	6.2
379.08337	3.6
380.08563	0.8
381.09750	1.4
382.06595	1.0
397.09274	45.7
398.09546	6.1
409.09329	2.2
427.10208	0.5
439.10251	1.2
451.10254	0.8
469.11465	6.5
473.09976	0.5
487.12466	100.0
488.12759	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	487.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.8
65.00184	21.8
66.91383	10.7
68.99675	17.4
69.03326	29.7
71.01252	13.6
79.01749	13.7
81.03309	19.4
83.01245	28.9
85.02811	19.1
90.94479	11.9
91.01756	12.2
93.03318	37.1
95.01245	34.7
97.02820	35.9
99.00731	61.1
105.03324	15.6
107.01252	29.6
109.02832	50.4
109.14854	11.7
111.00789	91.1
111.04382	14.9
113.02354	16.8
121.02832	37.5
123.00769	62.1
123.04437	15.2
124.01597	16.4
125.02338	99.4
126.22360	11.6
127.00278	15.6
131.04897	13.2
133.02835	20.8
135.00755	23.4
136.98665	13.1
137.02356	64.7
139.00282	98.5
139.03853	28.9
141.01839	92.2
147.04338	15.1
149.02339	35.3
151.00258	61.5
151.03888	13.1
152.01015	13.2
152.20543	12.2
153.01840	100.0
154.02393	13.3
154.99724	34.8
159.04477	18.4
161.02354	32.7
163.00273	50.2
163.03879	17.8
164.01003	13.6
165.01871	55.6
166.99770	37.1
167.03358	50.8
173.02396	17.4
173.05879	12.5
175.03935	32.8
176.01045	14.6
177.01889	70.3
178.99747	57.8
180.00587	12.2
181.01358	82.5
182.02026	32.8
183.02887	50.8
185.00896	21.3
187.03891	28.4
189.01794	20.3
189.05484	16.5
190.99780	12.9
191.03362	34.1
192.00525	15.4
193.01361	87.9
195.03000	13.7
203.03400	67.6
205.01340	35.0
205.04938	22.4
206.02014	23.5
206.99319	22.7
207.02850	25.5
208.00121	14.8
209.00800	70.6
215.03412	17.4
217.01363	19.7
217.05075	19.5
219.02980	59.8
221.00861	35.3
223.02365	16.5
225.00270	23.4
231.02856	61.7
233.04492	30.4
235.02339	33.6
243.02928	29.5
245.00810	15.7
247.02420	40.5
249.04097	26.6
258.01569	25.4
259.02374	56.1
261.03870	60.5
262.01251	13.3
263.01855	17.0
263.05273	12.3
265.03522	13.9
275.01981	63.2
277.03397	67.5
287.01956	86.6
288.02353	14.5
289.03333	30.7
290.00565	17.1
291.01407	23.4
291.04858	11.0
301.05820	23.0
302.06406	15.1
303.01379	29.3
305.02991	74.6
306.03546	12.4
313.05502	14.3
319.01071	13.8
319.04355	15.4
321.02441	15.1
325.05478	12.7
329.05032	36.0
333.02606	16.4
335.03641	18.8
349.01895	23.1
381.08121	16.5
397.07217	35.3
407.06213	13.2
409.07452	16.7
423.05551	20.6
425.07169	52.2
436.06705	22.1
451.04642	15.8
453.06622	67.3
454.07471	39.3
469.06293	97.0
487.07083	93.4
488.08560	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14978	0.2
57.03323	2.1
58.68834	0.2
59.01253	0.7
60.32097	0.1
61.98702	0.2
63.50295	0.2
67.01757	2.0
70.63567	0.4
75.00745	0.8
81.89050	0.2
83.90054	0.2
85.02837	1.4
87.00755	9.2
87.13851	0.2
104.57816	0.2
111.00765	100.0
112.01094	2.8
115.91957	0.1
116.05191	0.1
129.01810	0.3
130.99811	0.2
135.02840	0.8
139.56773	0.2
152.18709	0.2
154.99800	0.4
156.46582	0.2
173.00830	7.7
184.08235	0.2
195.13829	0.5
277.21771	0.3
293.21170	0.4
295.22778	1.9
296.23315	0.2
311.22217	1.7
485.23706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.3
58.07447	1.0
59.01246	6.3
67.01755	2.3
68.41687	0.9
71.01249	2.7
71.51656	0.9
71.52082	1.6
72.99166	2.3
74.87941	1.0
75.00745	25.2
82.03062	0.9
85.02820	1.1
85.71719	1.0
87.00748	9.0
89.02299	3.0
99.00745	3.1
99.81750	1.0
111.00763	100.0
111.15571	1.1
112.01094	2.4
117.01821	0.9
135.02885	27.9
166.13173	1.1
173.00848	9.8
195.13812	7.8
277.21664	8.4
278.21912	1.3
295.22763	81.3
296.23114	11.8
311.22269	1.7
485.27936	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	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54711	0.8
54.15275	0.8
55.11277	0.8
56.87842	0.8
59.01249	100.0
60.01573	1.7
61.78057	0.9
66.18362	0.8
78.95754	1.0
99.00737	1.2
105.04601	0.9
111.00726	2.2
121.02657	0.9
158.62695	1.0
295.22589	1.2
311.22110	1.5
387.16513	1.0
485.05179	1.1
505.05826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
56.40862	0.3
59.01250	10.2
61.98727	0.7
69.03329	10.7
69.47239	1.6
69.47654	0.9
71.01251	5.7
72.99185	0.9
73.02819	0.6
83.01253	0.9
83.04910	1.3
85.02829	1.7
86.28715	0.3
87.00749	1.1
89.02313	4.4
95.01286	0.7
95.04878	1.2
97.06466	0.7
101.02328	5.9
108.98370	0.3
109.34691	0.3
111.00774	0.9
111.08064	0.3
113.02324	2.4
119.03394	1.3
125.09637	0.5
134.07289	0.4
143.03363	0.4
149.09641	0.5
149.13219	1.0
151.11221	0.4
159.11707	0.5
161.04410	2.2
161.13309	0.7
167.10670	1.5
179.05495	1.1
179.10675	0.7
187.11156	0.4
187.14836	1.0
193.12277	2.8
203.14333	0.5
205.12303	4.4
205.15916	2.9
219.13814	0.4
221.15404	7.1
222.15813	0.4
231.13872	13.4
232.14180	1.2
235.08160	0.9
249.14932	100.0
250.15286	8.8
253.09265	21.3
254.09610	1.0
289.33563	0.5
485.23956	6.3
486.24228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1714
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
58.02842	15.3
59.01252	11.3
69.79674	8.2
71.01244	4.7
72.99195	1.8
74.02344	31.0
81.04452	1.8
82.02857	4.2
84.04430	2.4
85.02810	3.7
86.02354	15.4
86.05987	3.2
87.05514	7.3
89.02316	1.9
96.99795	5.4
97.03926	3.5
98.19859	2.4
99.05518	27.8
101.02329	3.3
101.07075	7.0
102.05495	5.5
107.06055	2.3
109.03948	6.4
109.07637	1.6
111.05544	2.4
112.03952	2.4
113.02332	4.2
113.03497	2.1
121.03982	1.5
123.05532	2.4
125.03536	3.6
126.03719	32.5
127.05026	4.3
128.03429	71.3
129.03796	2.4
135.05528	8.7
141.06616	5.3
143.04523	100.0
143.06976	2.8
145.06053	3.5
146.04526	9.0
153.06639	7.0
155.08287	1.8
161.04462	2.7
163.03992	1.6
166.09769	6.9
167.04546	3.5
167.08212	3.5
171.03896	2.2
179.04535	28.8
181.06079	1.9
185.05571	2.0
192.07787	3.6
197.05559	4.5
210.06842	2.7
210.08781	28.1
212.07472	9.0
228.09903	3.4
254.07793	57.9
255.08127	4.8
272.08881	75.3
273.09198	5.1
297.04044	3.8
298.04721	2.3
299.05591	2.9
305.13724	1.8
327.05103	15.3
356.12817	15.8
357.06137	4.7
366.06250	2.2
401.02829	1.6
425.18527	3.2
447.09323	13.6
448.09653	3.1
467.15906	18.2
468.16266	3.3
485.17062	89.4
486.17441	15.5
501.04694	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	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72235	0.9
52.11081	1.0
58.02848	11.6
59.01234	2.8
61.98691	3.1
64.98512	1.1
70.02849	1.1
71.01257	2.5
71.52763	1.0
72.00775	1.4
72.78760	0.9
74.02340	24.1
78.95770	4.6
81.04427	1.2
82.02853	3.5
84.04446	1.2
86.02351	10.0
86.05984	1.9
86.98991	2.4
87.05502	7.4
88.03901	1.9
90.00069	2.9
97.03929	2.6
98.07178	1.1
99.04939	1.5
99.05529	21.1
101.07092	2.7
102.05489	4.5
107.06007	1.7
109.03967	4.0
109.07607	1.6
111.05508	2.4
112.03941	2.9
113.07034	1.3
116.01671	2.2
123.05528	3.1
123.08023	2.5
125.03494	3.1
127.05013	5.1
128.03435	63.5
129.03778	1.7
129.99591	2.1
131.04485	1.6
135.05537	6.0
137.07027	2.3
141.06586	5.7
143.04529	91.2
144.04883	1.9
145.06084	3.9
146.04475	9.5
152.99501	5.8
153.06593	7.3
155.08099	1.6
160.00664	26.5
166.09795	3.2
167.04463	6.9
167.08214	3.1
170.03210	1.5
171.07677	2.0
177.03336	11.0
179.04553	19.7
180.04854	1.2
181.06161	2.1
184.10803	1.7
185.05528	3.5
192.07748	1.6
197.05635	3.2
210.08777	15.1
211.09221	1.0
242.07791	2.1
249.14879	1.4
254.07808	31.1
255.08113	1.8
260.08978	1.1
272.08859	46.5
273.09158	3.8
288.06570	16.2
299.55920	1.1
306.07651	100.0
307.07959	6.5
374.48126	1.0
423.89264	1.2
484.20984	2.8
485.22662	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	484.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97990	0.2
59.01249	0.6
61.98703	100.0
69.43936	1.7
71.01270	0.7
73.02814	0.3
98.19769	0.4
101.02316	0.3
107.15405	0.3
117.05487	0.8
233.95772	0.2
424.22858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57310	0.7
58.02850	9.8
59.01240	2.8
61.98697	2.1
66.03360	0.8
68.04948	0.9
69.79884	3.8
70.02824	1.7
71.01270	1.2
72.00796	1.6
74.02346	23.9
74.04328	0.8
74.56187	0.9
78.95781	3.5
81.04480	1.3
81.08974	0.7
82.02848	3.6
84.04421	1.4
85.68444	0.8
85.93837	0.9
86.02348	8.2
86.06008	1.5
86.98971	2.7
87.05503	6.0
88.03910	1.6
90.00056	2.7
97.03948	2.5
98.19792	1.1
98.91138	1.0
99.05522	20.5
101.07086	3.3
102.05498	3.8
107.06014	1.1
108.02029	1.8
109.02845	1.2
109.03982	3.2
111.05530	2.2
112.03930	2.2
116.01658	1.9
120.01138	1.6
121.03942	1.2
123.05539	2.7
123.08035	1.6
124.03930	1.6
125.03481	2.3
127.05024	3.8
128.03430	63.0
129.03748	1.5
129.99550	0.9
135.05548	6.3
137.07137	1.2
141.06589	5.9
143.04526	87.4
144.04878	2.3
145.06088	3.7
146.04477	7.5
149.07115	1.2
152.01065	1.4
152.99466	2.7
153.06598	7.0
160.00659	26.0
162.67834	0.9
166.09755	2.8
167.04507	5.8
167.08160	3.0
169.04144	0.8
171.04008	1.2
171.07739	1.0
177.03310	8.7
179.04559	19.0
181.06157	1.9
184.10710	1.0
185.05525	4.0
192.07684	2.4
197.05592	3.1
198.08781	1.4
210.08792	16.2
213.03326	1.1
228.09894	1.2
231.04538	0.8
242.07751	2.4
254.07809	31.8
255.08038	1.1
272.08878	48.4
273.09116	3.0
288.06619	14.0
301.03574	1.3
306.07648	100.0
307.07904	7.0
307.49265	0.9
313.72253	0.8
331.04727	0.9
344.18381	0.9
484.21381	2.8
499.25037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52747	1.8
69.53149	0.5
77.76642	0.3
78.95768	6.7
93.96895	0.3
96.96809	0.5
98.19820	0.6
150.97919	0.3
152.99492	15.3
153.80757	0.3
171.00534	1.2
227.03252	3.3
245.04262	1.8
255.23262	100.0
256.23621	10.3
309.00165	0.3
332.58487	0.3
467.14426	0.3
483.27301	29.5
484.27640	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10729	0.3
54.14112	0.3
56.53110	0.3
71.08898	0.3
71.09223	0.5
71.36769	0.3
78.95776	18.8
79.96935	0.3
88.81855	0.3
96.96838	1.5
152.99495	31.7
153.99869	0.5
171.00560	1.1
214.28381	0.4
227.03188	4.7
228.03676	0.4
243.77849	0.4
245.04327	1.1
255.23273	100.0
256.23624	9.9
391.22458	0.7
394.26117	0.3
483.27298	52.6
484.27615	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2598
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2',6'-O-diacetate
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.3
61.98713	0.4
63.81380	0.2
71.01265	0.7
73.02837	0.5
78.95793	0.7
83.01276	0.5
87.67719	0.2
87.89809	0.2
89.02344	0.5
96.95895	0.4
101.02374	0.7
113.02349	0.6
137.66841	0.2
152.99419	1.3
172.87926	0.2
177.13113	0.3
184.05444	0.3
282.65057	0.3
287.26840	0.3
340.76340	0.2
381.23004	0.7
435.72708	0.3
458.66418	0.3
483.33694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76329	0.4
59.01253	100.0
60.01588	1.2
61.42702	0.4
61.98702	0.4
69.47108	2.9
71.01267	1.0
71.75988	0.3
73.02843	0.8
78.33267	0.3
78.95783	0.9
79.57200	0.3
80.96400	0.4
83.01273	0.8
85.02843	0.5
89.02341	0.6
96.95911	0.4
98.19849	0.9
101.02341	0.7
113.02371	0.4
137.02322	0.4
142.99745	0.7
152.99556	1.1
175.02289	0.4
385.96884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36147	0.5
59.01250	100.0
60.01589	1.0
61.98707	0.8
69.86935	2.9
71.01247	4.5
71.02691	0.5
72.99178	0.7
73.02825	4.5
78.95797	0.9
83.01268	1.6
89.02348	0.9
96.95905	0.6
98.20505	0.6
99.00709	0.5
101.02325	4.4
108.09422	0.5
109.02888	0.5
113.02327	1.6
121.02842	10.1
121.03664	0.7
122.03230	0.7
125.02336	0.9
130.08658	0.7
131.03342	0.7
142.99812	0.5
143.03381	0.8
152.99544	1.2
174.01697	0.6
206.51566	0.5
225.05588	0.7
313.07269	1.4
315.86716	0.5
334.37607	0.5
379.04260	0.8
401.08762	4.4
402.09232	0.8
483.23001	0.6
483.32037	1.3
496.44400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.6
57.03313	3.0
58.00477	1.1
59.01252	58.2
61.98702	1.5
68.64592	0.6
68.99687	0.6
69.03320	0.8
71.01254	35.0
71.07465	1.4
71.07866	0.5
72.99184	1.3
73.02821	18.0
74.03152	0.6
75.00748	1.0
78.95819	0.6
79.74897	0.6
81.03339	0.9
81.88994	0.5
83.01256	12.9
85.02827	20.2
85.99963	1.4
87.00760	2.4
89.02317	5.1
93.03399	0.6
95.01265	2.9
97.02844	1.4
99.00763	7.9
99.33250	0.6
99.88654	0.5
101.02325	48.8
102.02644	0.6
103.03903	2.5
113.02340	14.7
119.03433	1.4
125.02354	2.1
129.01839	0.8
137.02347	0.7
143.03435	1.6
145.05032	0.9
159.02863	3.6
161.04465	11.4
163.06082	1.0
185.11691	0.8
205.03383	1.0
229.07147	1.0
235.08089	0.7
247.08209	0.7
277.16556	67.6
278.16891	4.6
283.02426	4.5
321.15518	0.8
363.66595	0.6
414.88281	0.7
423.22357	100.0
424.22684	11.9
483.13290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27964	0.1
55.25033	0.1
57.03328	2.1
59.01250	1.9
61.98704	0.3
66.36263	0.1
67.01765	2.1
71.00357	0.3
71.00677	0.2
71.01288	0.2
75.00744	0.7
82.30533	0.1
83.44859	0.2
85.02835	1.1
87.00753	6.4
95.61697	0.1
108.80692	0.1
111.00765	100.0
112.01096	2.9
112.98680	0.2
116.17793	0.2
129.01889	0.4
133.99135	0.2
135.02869	0.5
154.99815	0.4
160.40794	0.2
173.00829	7.3
174.01187	0.2
175.44037	0.2
291.19638	0.3
293.21216	1.5
294.21536	0.2
309.20654	1.2
483.22296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27964	0.1
55.25033	0.1
57.03328	2.1
59.01250	1.9
61.98704	0.3
66.36263	0.1
67.01765	2.1
71.00357	0.3
71.00677	0.2
71.01288	0.2
75.00744	0.7
82.30533	0.1
83.44859	0.2
85.02835	1.1
87.00753	6.4
95.61697	0.1
108.80692	0.1
111.00765	100.0
112.01096	2.9
112.98680	0.2
116.17793	0.2
129.01889	0.4
133.99135	0.2
135.02869	0.5
154.99815	0.4
160.40794	0.2
173.00829	7.3
174.01187	0.2
175.44037	0.2
291.19638	0.3
293.21216	1.5
294.21536	0.2
309.20654	1.2
483.22296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
57.03326	2.9
58.00471	2.3
59.01249	38.1
60.01585	0.5
67.01768	0.3
68.99693	0.5
69.03331	3.2
69.45616	1.8
71.01252	100.0
71.04881	1.2
72.01575	1.9
72.99177	4.2
73.02818	24.2
74.03154	0.4
75.00736	1.6
79.01777	0.3
80.47942	0.2
81.03326	1.7
82.26578	0.3
83.01257	15.5
83.04893	0.3
84.01609	0.5
85.02824	26.2
85.99963	6.8
86.03153	0.5
87.00748	19.3
87.04391	4.2
88.01064	0.3
89.02316	14.3
95.01256	3.7
97.02832	4.3
99.00761	6.5
99.04383	3.5
99.08044	1.0
101.02319	45.5
101.05963	1.6
101.99490	0.3
102.02667	1.2
103.03885	9.2
109.02841	0.7
111.00769	1.0
111.04371	0.3
113.02325	18.1
113.05950	1.3
114.02651	0.5
115.03901	3.8
115.07541	2.7
117.05473	1.3
119.03393	5.8
121.02892	0.3
125.02332	9.7
125.03254	0.5
126.02670	0.4
127.03873	1.2
129.01830	1.4
129.99533	0.3
131.03398	2.0
133.02847	2.7
139.00273	0.3
141.01817	1.4
143.03400	4.2
143.07047	12.7
144.07368	0.6
145.01338	0.5
145.04976	2.8
149.02364	0.4
157.04985	0.6
159.02908	3.1
161.04468	17.1
161.08101	19.2
162.04857	0.4
162.08459	1.0
163.00233	0.6
163.03862	0.9
163.06026	16.0
164.06346	0.7
165.01826	0.5
174.29585	0.2
175.03912	0.9
179.05602	0.3
187.09679	27.4
188.10005	1.2
191.03346	0.5
193.01314	0.6
199.03880	0.4
201.01826	0.3
203.03429	0.4
205.03453	0.9
205.07100	3.4
206.07463	0.3
215.09169	4.4
216.09532	0.3
219.08731	0.9
229.07069	1.5
241.05043	0.4
247.08165	3.5
253.04984	0.4
259.11850	0.3
265.09259	0.4
277.12915	28.2
278.13211	2.0
284.03244	2.5
285.03973	1.9
297.04062	3.8
298.04752	2.5
299.05569	4.7
300.05896	0.4
305.09000	0.4
305.12457	0.7
307.10303	2.6
311.05728	0.7
313.73364	0.2
327.05084	23.9
328.05402	3.0
331.13892	0.5
339.05023	0.7
357.06152	6.3
358.06448	0.9
369.06271	0.4
393.06424	0.4
409.88974	0.3
411.45444	0.2
423.18707	53.5
424.19006	5.7
424.24652	0.2
447.09268	12.0
448.09714	2.5
451.18326	3.0
452.18628	0.3
483.21652	0.5
483.27426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
55.04785	0.6
57.03312	1.1
58.00467	1.0
59.01252	57.7
59.89371	0.5
60.01557	0.4
63.46906	0.5
64.61110	0.5
70.89977	1.0
70.90331	0.7
71.01248	16.6
72.99152	0.9
73.02818	6.2
75.00735	0.5
75.40559	0.6
83.01246	4.0
85.02824	9.8
87.00726	1.2
89.02309	5.0
93.03332	1.3
95.01257	2.4
97.02830	0.9
99.00744	2.6
101.02324	15.1
102.02631	0.7
109.02806	0.6
111.00743	1.6
113.02330	6.7
119.03387	1.9
125.02318	1.1
129.01746	0.8
131.12288	0.5
137.02333	3.7
138.02672	0.9
141.01843	0.6
159.02925	0.8
161.04489	1.9
167.03389	1.5
229.18169	0.5
259.19098	2.3
263.06216	0.5
281.52097	0.5
298.77551	0.6
301.20236	0.6
319.21298	0.8
351.04593	0.7
351.54349	0.9
361.05502	1.5
420.69556	0.6
421.24429	4.2
463.25333	3.1
481.26526	100.0
482.26859	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97414	0.8
70.76727	0.7
76.49337	0.9
78.95776	62.8
82.87878	0.9
96.96835	4.4
98.19772	2.0
114.99670	0.7
115.33508	0.9
133.32310	0.8
148.20633	0.8
150.97928	1.7
152.99489	93.0
153.99844	1.3
171.00558	16.8
227.03195	9.5
229.44110	0.9
245.04282	76.0
246.04655	2.1
253.21701	54.8
254.22090	4.8
279.80920	1.0
337.38211	0.9
481.25717	100.0
482.26016	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30520	0.7
67.20895	0.7
70.53049	1.4
70.53414	1.4
78.95774	41.5
96.96857	3.8
143.96742	0.9
150.97974	1.0
152.99490	59.6
153.99802	1.0
171.00557	16.7
222.49794	0.7
225.44435	0.8
227.03171	3.8
245.04280	100.0
246.04678	2.9
253.21701	58.3
254.22044	5.9
264.48883	0.8
468.27567	0.8
481.25729	35.5
482.25967	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
61.98695	0.9
69.79435	4.6
71.01256	6.1
72.06992	0.8
72.99179	1.9
75.00742	1.6
78.95777	3.7
82.84384	0.8
83.01250	3.0
84.57024	0.8
85.02803	1.2
86.72252	0.8
87.00742	3.1
90.90440	0.8
92.88931	0.9
99.00772	5.4
101.02303	1.0
104.20325	0.8
111.00745	4.6
112.98683	15.6
113.99466	1.0
115.00238	6.3
116.10897	0.8
127.02081	0.8
127.07511	0.8
134.04558	4.1
135.02895	1.9
142.99760	7.2
165.12775	1.2
173.00842	2.6
174.01611	100.0
175.02283	7.6
180.07870	1.2
208.03912	0.9
308.16232	0.9
321.24261	0.9
345.20563	1.3
359.22415	2.1
363.21985	1.6
373.20251	2.2
375.21573	1.5
377.23563	1.6
387.08133	1.1
403.21002	1.0
421.22287	1.3
463.23416	1.1
481.24750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.7
65.46083	1.4
70.72408	4.2
71.01260	12.1
72.99178	3.0
75.00758	2.3
83.01254	4.5
85.02847	1.4
87.00752	3.9
88.64973	1.5
99.00758	7.6
106.20256	1.5
110.02672	1.3
111.00817	8.3
111.01469	1.6
112.98695	35.2
113.99480	2.9
115.00291	9.0
121.02837	1.5
135.02902	4.6
140.04855	1.4
142.99770	13.7
145.01294	1.7
146.80510	1.5
149.72176	1.3
153.09105	2.7
155.43242	1.5
161.33830	1.4
173.00821	5.5
174.01619	100.0
175.02353	10.2
180.07825	2.5
196.51004	1.4
321.24316	1.8
345.20889	2.4
359.22275	5.2
360.22403	1.6
363.21823	2.9
373.20300	4.9
403.21246	1.8
463.23419	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28518	0.4
55.01756	0.4
57.03309	0.8
59.01249	1.7
61.48548	0.4
61.98690	0.4
67.25858	0.4
67.27643	0.5
69.03329	1.4
69.28121	3.2
69.28522	1.0
71.00954	0.5
71.01261	5.2
71.36024	0.4
73.02820	1.6
78.73347	0.5
79.01765	0.5
81.03333	1.3
83.01256	1.2
85.02831	6.2
89.02312	0.7
93.03316	0.6
95.01265	2.9
96.99222	0.5
99.00760	0.8
101.02316	2.9
108.02055	64.2
108.45987	0.4
108.78197	0.4
109.02852	39.8
110.03189	1.2
113.02287	1.3
119.10584	0.4
121.02859	0.8
123.00785	2.9
123.04411	0.4
139.11159	2.2
151.03914	1.3
152.01059	67.1
153.01852	18.8
154.02214	0.5
161.04460	1.1
163.03909	1.3
165.01886	0.5
183.10213	2.4
185.11853	0.9
225.03883	0.5
315.07159	2.0
421.20712	1.2
481.17142	100.0
482.17474	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	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
55.05771	1.7
57.03314	3.8
58.00450	1.7
59.01251	15.0
62.07827	1.7
67.01750	3.2
68.99673	4.8
69.03321	6.1
69.47104	11.2
71.01259	13.0
73.02821	6.1
81.03322	16.4
83.01255	13.4
83.04892	3.1
85.02845	12.2
87.00755	4.2
89.02339	4.2
93.03340	14.9
93.94630	1.8
95.01259	6.1
95.04899	8.9
96.99170	3.9
97.02833	16.5
98.19806	3.9
98.45083	1.8
99.00751	9.8
99.04401	10.2
101.02345	10.6
107.01261	5.3
109.02843	16.5
111.00761	18.4
111.04395	4.6
113.02336	11.4
117.03347	25.1
119.03371	2.5
119.04910	2.8
121.02839	5.7
123.00752	5.5
123.04415	7.1
124.01572	2.9
125.02333	75.9
127.00282	3.8
129.01872	2.4
133.02831	7.5
134.78146	1.8
135.04428	7.8
137.02338	37.4
138.02811	2.5
139.00255	9.4
139.03903	7.9
140.00966	1.8
141.01822	12.5
144.45332	1.7
149.02344	12.3
151.00252	5.0
151.03918	8.2
153.01848	51.0
154.02177	3.7
155.03397	7.3
159.04434	6.6
161.02339	16.1
163.00308	2.2
163.03902	3.0
164.00972	2.4
165.01820	10.3
166.02599	1.9
167.03406	100.0
168.03709	2.9
169.01349	8.5
175.03844	2.1
177.01865	5.0
178.99788	4.8
179.03418	12.9
181.01338	25.9
183.02916	17.2
191.03409	4.5
193.01350	37.4
195.02936	9.5
195.06812	2.3
197.04489	19.9
199.02452	2.5
201.05492	2.5
203.03481	4.6
205.01405	4.0
206.02095	2.1
207.02904	6.4
209.11739	3.8
213.04025	4.1
215.03497	4.2
219.02730	2.5
223.02438	3.3
233.04500	3.6
235.02449	30.6
245.04562	2.5
251.01942	8.4
253.09235	2.2
253.80811	2.0
265.03546	6.3
273.06192	15.9
281.06802	4.1
287.07773	15.5
299.05371	2.9
301.05862	16.7
301.20203	7.6
303.07230	6.3
305.34265	2.0
315.05090	6.6
319.06787	10.7
319.21207	3.0
331.04510	2.5
343.04059	10.2
351.54733	1.9
355.06631	7.0
361.05484	17.4
362.05789	2.9
373.05716	3.2
391.06631	3.5
435.09189	22.2
436.09946	3.4
463.09232	4.0
463.25620	8.3
464.09409	2.7
481.09888	12.8
481.26556	83.9
482.10303	3.5
482.26804	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	481.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92816	6.3
59.01245	33.1
59.37613	6.6
61.98652	6.6
62.49687	6.8
67.23968	7.3
69.03333	15.4
69.37447	51.2
70.26699	7.2
71.01246	25.8
72.50550	8.4
78.95792	14.6
81.03336	28.1
83.01252	24.9
85.02817	24.2
89.02316	13.2
93.03338	32.8
95.01271	13.7
95.04906	9.7
96.95902	58.3
96.96856	27.6
97.02817	20.9
98.02348	12.8
98.20558	14.0
99.00762	20.2
99.04407	15.4
101.02305	15.5
107.01211	10.6
108.02052	18.6
109.02840	27.7
111.00754	22.2
113.02335	11.1
119.04903	8.0
121.02853	28.0
123.00792	12.7
123.04421	18.0
124.01585	11.4
125.02328	81.0
135.04434	11.5
137.02322	48.2
138.03091	7.8
139.03915	24.8
141.01801	25.6
149.02324	20.3
151.00284	17.2
151.03915	23.7
152.01077	20.5
153.01854	47.3
161.02351	17.3
161.08960	7.6
163.00258	28.9
163.03877	12.4
164.01056	12.2
165.01834	82.4
165.12807	8.0
166.02611	46.0
167.03416	100.0
168.00557	18.2
169.01303	9.3
177.01848	34.0
178.99774	24.2
179.03397	16.6
181.01352	32.7
183.02892	36.0
183.13861	10.3
187.03879	9.6
191.03336	15.2
191.05646	11.6
193.01385	70.0
194.01956	9.9
195.02902	21.1
196.03697	14.9
197.04515	12.8
205.01389	20.6
207.02957	51.1
209.00934	14.9
211.02345	13.2
215.03415	8.1
217.05148	7.9
219.02823	40.5
221.00882	53.7
223.02414	23.5
223.04538	22.0
224.03197	23.8
227.12868	17.8
235.02412	18.5
245.04605	7.9
245.13858	12.4
251.02087	19.3
257.04404	10.8
257.12646	8.0
259.06180	13.4
269.04419	22.5
271.06000	17.2
273.04181	10.8
283.06046	20.7
287.05225	14.3
287.07959	11.4
289.03351	9.6
297.03983	26.1
299.05640	48.4
301.03494	12.1
311.05594	42.4
313.03348	18.4
315.05099	22.7
327.05035	44.6
331.04315	9.3
341.05725	22.9
343.04114	47.2
344.05341	31.8
345.05832	11.4
357.06152	9.0
361.05603	64.1
362.05716	10.9
373.05600	16.1
391.06827	16.7
395.21304	8.3
418.31323	7.6
431.09753	45.1
435.09119	9.1
446.08374	8.2
447.09396	41.5
463.08749	21.0
464.09406	17.2
481.09698	77.0
481.26654	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29857	0.4
56.95412	0.4
57.59367	0.4
59.01251	2.5
61.98701	100.0
62.91749	0.4
69.45330	0.6
69.45739	2.8
71.01237	1.0
71.75014	0.4
85.02843	0.4
90.84184	0.4
108.02040	0.8
112.31626	0.4
152.45462	0.4
154.08516	0.5
197.79590	0.4
232.53610	0.4
286.12518	0.4
350.02518	0.5
420.25894	0.6
481.16754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	28.1
62.86951	4.5
65.00192	11.7
65.03815	4.9
68.99674	8.6
69.03341	14.8
71.01269	25.5
71.51721	5.7
73.02801	7.6
75.00724	5.6
76.55165	4.6
76.78265	4.8
78.95771	19.7
81.03326	25.9
83.01247	18.0
83.41896	4.8
85.02834	19.1
89.02312	5.6
93.03335	28.0
95.01250	17.9
95.04887	9.6
96.95900	42.3
96.96835	24.1
97.02847	32.9
98.02346	15.8
99.00758	26.8
99.04395	10.7
101.02277	10.3
107.01248	16.7
107.04900	7.6
108.02059	12.2
108.38696	5.9
108.77346	4.6
109.02856	38.6
111.00751	21.9
111.04375	5.7
113.02303	8.3
117.03339	12.6
119.04895	5.7
121.02846	32.3
121.03577	5.5
123.00740	11.5
123.04418	23.5
125.02337	87.5
133.02861	16.8
135.00780	8.0
135.04408	24.1
136.01547	4.6
137.02345	60.4
139.00305	8.7
139.03937	28.1
140.04222	5.1
141.01877	31.8
147.04480	10.5
149.02342	30.5
151.00270	18.9
151.03911	29.4
152.01073	11.1
152.99426	4.8
153.01834	49.3
161.02312	16.8
163.00279	28.6
163.03929	12.0
164.01076	10.2
165.01837	86.5
166.02618	49.7
167.03410	100.0
168.00549	10.7
168.03709	6.6
169.01376	9.8
176.01024	6.0
177.01878	34.7
177.96931	6.1
178.99828	35.5
179.03432	29.8
181.01401	37.6
182.02017	7.7
183.02913	36.0
187.07655	6.9
187.09468	5.2
189.01865	8.7
190.99719	6.9
191.03409	17.9
192.00632	6.1
193.01378	89.9
194.02026	10.7
195.02925	28.7
196.03667	12.3
197.04468	12.0
201.05516	6.1
203.03418	7.4
205.01389	27.3
207.02954	49.7
209.00871	10.5
215.03409	7.6
219.02904	48.6
221.00835	50.9
223.02455	39.3
223.04422	8.9
224.03174	25.0
225.03784	9.9
227.03366	9.0
227.12860	18.3
231.02957	10.2
231.06592	7.5
233.04480	8.2
235.02394	21.9
237.03908	10.0
241.05125	5.9
243.06534	7.3
245.04503	14.2
245.13913	6.9
251.01978	18.7
255.02821	7.2
257.04547	12.4
259.06201	12.0
261.03787	6.2
265.03403	7.0
269.04630	29.4
270.04907	7.5
271.06128	13.2
273.03946	13.1
282.05322	7.6
283.06143	26.9
285.04050	13.0
287.05408	15.0
287.08060	9.4
297.04105	24.8
298.04718	7.7
299.05621	34.6
300.02780	6.5
300.06082	8.2
301.03354	9.5
303.04367	9.0
305.04276	5.5
311.05582	58.9
312.05875	6.5
313.03445	9.5
315.04980	12.5
317.06583	7.9
327.05048	46.3
329.06433	11.5
331.04507	14.3
341.05634	25.1
343.04361	43.4
344.04855	33.4
345.05838	6.8
357.06140	11.8
361.05551	60.5
362.06079	10.6
373.05524	20.1
391.06406	11.8
431.09888	64.4
432.10095	9.3
446.08228	7.6
447.09225	38.0
463.08661	16.0
464.09390	31.3
481.09943	84.2
481.21823	6.5
481.27444	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
56.65324	0.3
57.03312	0.7
58.00459	0.7
59.01251	17.2
61.98700	4.5
64.17830	0.4
70.37789	0.4
71.01253	14.9
71.51581	0.4
72.99171	1.1
73.02809	2.6
75.00732	0.4
78.95779	0.4
83.01254	2.1
85.02821	4.3
87.00742	1.4
89.02322	4.5
92.55556	0.4
93.03342	2.7
95.01259	1.1
96.91834	0.3
97.06464	0.7
99.00742	0.8
99.08005	0.4
101.02328	6.5
108.02041	0.5
111.00793	0.7
113.02314	3.6
113.09567	0.7
119.03381	1.7
125.02328	1.3
127.08580	0.4
127.11216	0.4
137.02345	3.9
140.67795	0.3
152.01045	0.6
167.03424	1.1
173.43762	0.4
193.15982	0.6
199.13396	0.5
237.14926	0.5
237.18553	1.7
239.16489	5.9
240.16788	0.4
255.19604	10.4
256.20056	1.0
257.17560	27.5
258.17960	2.5
267.37799	0.4
273.12491	2.0
283.02451	1.7
291.04166	0.6
299.05463	0.6
299.18784	0.5
317.19583	0.5
351.06073	2.0
396.25766	0.4
399.23987	0.7
401.21732	1.8
403.06833	0.6
417.24939	5.4
418.25259	0.8
419.22849	27.2
420.23160	3.2
443.23160	0.7
461.23849	6.1
462.24615	0.6
479.24969	100.0
480.25272	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03302	1.2
59.01246	2.1
68.48399	0.4
69.03320	0.7
69.29661	3.6
71.01246	0.6
71.04849	0.5
78.95778	13.7
83.04889	1.0
96.39635	0.4
97.02818	1.2
97.06479	0.7
99.08031	2.3
104.97298	0.5
109.06421	0.7
110.98421	10.2
111.08018	0.5
113.09612	2.5
121.10088	1.1
125.09619	1.4
127.11118	0.7
129.09094	2.3
136.99980	0.5
139.11174	3.2
151.11147	0.6
152.99448	0.9
153.09042	0.4
155.10631	0.4
163.11169	1.3
165.12766	1.1
167.01074	5.1
167.10661	0.9
169.12271	1.1
171.10185	13.3
171.11641	0.8
171.93509	0.4
172.10535	0.9
181.12251	2.5
183.13808	2.1
185.02148	8.5
185.11685	1.1
193.12288	5.3
195.13835	1.6
197.11786	4.7
199.13348	2.1
199.64207	0.5
201.11235	0.8
207.10258	0.7
209.11752	1.8
211.13362	10.6
212.13647	0.5
225.11246	1.2
227.12839	1.1
249.22275	1.2
275.20132	1.0
293.21210	18.4
294.21536	1.7
311.22272	100.0
312.22623	11.6
315.69763	0.4
337.19827	0.4
479.24155	36.0
480.24573	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	479.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.1
61.98700	1.6
62.23571	0.8
69.29482	2.3
69.29888	5.5
69.53016	0.8
71.01253	16.5
71.02377	3.1
71.04894	1.0
72.99192	2.1
73.03934	5.3
75.00735	0.9
85.02823	1.2
85.03965	0.8
87.00768	0.9
88.03914	12.2
89.02312	3.0
90.11098	0.9
93.03333	1.2
97.02800	2.5
97.06483	1.2
99.00761	7.3
101.02330	3.6
103.05001	2.2
107.01231	1.0
108.02065	3.8
109.02852	1.6
109.06422	0.9
110.03501	1.4
113.02324	2.0
115.00255	18.5
116.04918	2.3
119.03344	0.9
121.02842	0.9
123.00782	0.9
123.04416	3.0
124.01472	1.0
125.02308	1.1
125.09602	3.2
129.10229	8.9
132.02933	11.8
137.02321	1.8
139.08669	1.0
141.10266	0.9
146.06047	4.0
151.00244	1.6
151.08670	1.3
152.01083	8.0
153.01820	3.1
163.11211	4.2
164.07091	5.2
166.02641	1.8
167.03409	11.8
167.05614	4.1
168.11336	2.2
169.09770	1.5
171.10170	3.3
172.05357	1.0
179.03445	0.9
181.04951	2.2
181.12289	10.1
186.12418	20.8
189.05455	1.0
190.06111	1.3
197.11777	1.4
198.12407	1.1
199.13329	8.0
207.08377	1.2
207.10226	16.7
208.10449	1.8
224.12718	2.2
225.11279	26.5
226.11577	1.6
241.13448	2.5
242.11783	2.2
243.12347	20.7
244.12692	1.9
253.09169	1.9
256.92578	1.0
258.16052	1.9
262.54831	0.8
267.90216	0.9
271.02524	1.6
297.06223	4.3
299.01907	1.1
301.03207	1.6
311.07651	3.6
315.18243	7.7
316.02185	1.3
316.18674	1.1
317.02914	2.0
333.19339	10.2
339.07617	0.8
345.19357	2.2
359.04068	0.9
363.20370	16.2
364.18707	25.2
365.19037	2.1
405.21188	2.2
417.21524	1.3
435.22372	3.3
461.20389	1.9
479.10556	2.6
479.21304	100.0
480.21628	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	479.0832
Annotation	Telephioidin
Peak:m/z	Relative Intensity
57.03328	3.8
59.01256	33.9
60.13741	3.3
61.98693	5.5
65.00208	6.4
69.03342	4.2
70.85176	4.6
71.01264	22.4
72.99174	19.7
73.02840	4.3
75.00746	10.9
79.90668	3.7
81.03320	4.8
83.01266	13.6
85.02814	6.5
87.00771	5.1
89.02342	16.2
90.01843	4.2
91.00237	19.9
93.03327	11.4
95.01271	8.9
96.99176	3.9
97.02830	8.8
99.00785	5.5
99.04398	5.9
101.02328	12.1
105.03347	5.4
107.01311	5.9
109.02834	37.5
111.00783	10.9
113.02340	8.4
119.03365	4.5
121.02850	8.2
123.00791	9.2
123.04453	4.7
124.01588	5.1
125.02355	32.9
133.02853	18.7
133.84311	3.9
135.00803	4.3
135.04427	38.8
137.02359	45.0
139.00259	4.7
139.03917	5.6
141.01822	3.9
149.02371	17.2
151.00291	17.7
151.03903	10.9
153.01833	14.1
161.02359	9.0
163.00264	17.0
163.03874	7.7
164.01062	4.5
165.01852	32.1
166.02625	7.2
167.03441	20.9
171.10182	12.1
175.03909	13.2
177.01846	30.0
178.99818	13.9
179.03401	17.4
181.01357	8.2
187.03920	5.1
189.05551	4.9
190.99825	11.3
191.03401	9.0
193.01329	30.5
194.02180	4.7
195.02924	8.2
197.04399	5.2
197.06081	4.6
201.11183	5.8
202.99742	5.7
203.03490	7.0
205.01361	28.6
207.02902	7.0
209.04543	5.7
213.05457	5.6
221.00864	11.7
223.02409	34.2
225.11287	13.8
227.03363	5.0
228.04179	4.7
231.02982	8.2
235.02386	11.0
238.48410	3.4
241.05055	9.9
242.02168	4.3
245.04607	6.7
249.00403	14.5
255.03008	6.1
257.04483	6.6
258.01627	4.0
259.06076	4.2
261.04028	5.7
269.04446	8.0
271.02429	14.5
271.05551	5.1
272.03345	5.0
273.03772	5.0
276.29330	3.5
285.03992	23.0
286.04623	5.8
287.02203	7.4
287.05576	21.2
297.04071	7.4
298.04736	6.4
299.05573	16.0
313.03424	28.1
314.04120	5.1
315.05035	42.7
316.02267	34.4
316.05466	6.5
317.02972	16.6
317.06497	6.9
327.05090	28.9
329.03265	7.0
329.06921	5.6
330.03806	4.5
331.04568	10.6
341.02975	10.1
343.06589	13.0
345.06155	8.2
347.04129	4.5
357.06143	7.3
359.03989	68.2
359.07779	9.7
360.04495	11.3
371.03983	4.6
381.06906	3.7
389.05078	21.5
417.08536	4.5
435.09616	5.8
437.20422	5.8
444.26871	4.2
446.08481	7.8
461.07074	12.5
479.07980	100.0
479.24820	12.5
480.08682	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	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.7
61.01719	0.4
61.98703	100.0
69.47800	1.2
69.48230	1.2
70.62279	0.4
71.01255	2.5
72.99213	0.5
73.02828	0.8
75.00795	0.4
75.59641	0.4
83.01244	0.6
85.02832	1.5
87.00798	0.5
89.02335	0.5
97.02865	0.4
99.00773	0.7
101.02348	1.2
111.00806	0.5
113.02330	0.8
121.02908	0.4
125.02386	0.7
137.02327	0.5
151.00291	0.5
170.44136	0.4
171.10210	0.8
181.62807	0.4
199.06821	0.4
201.11317	0.6
207.10262	0.4
215.12759	0.4
225.11281	0.8
253.09198	0.5
269.10522	0.5
270.10703	0.9
271.11099	0.7
272.11154	1.0
283.02408	0.6
358.06027	0.5
377.15405	0.4
416.16342	0.5
418.16919	3.8
479.08493	0.5
483.88852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
58.96229	0.3
60.70974	0.3
62.96285	0.4
65.50436	0.3
70.75567	0.7
73.47865	0.2
75.87969	0.2
78.95777	100.0
95.50359	0.3
96.96848	8.1
99.09679	0.3
112.29522	0.3
140.01094	0.3
152.99493	17.7
171.00562	19.6
172.00861	0.4
215.26082	0.3
223.99734	0.3
278.83389	0.3
281.32681	0.3
344.61200	0.3
404.25653	1.5
405.94534	0.3
478.29401	60.2
479.29764	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	479.0832
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
59.01263	40.3
71.01260	29.4
71.51222	6.9
71.51642	13.8
72.99175	14.9
81.03379	13.2
85.02837	9.8
89.02323	17.5
91.00256	7.9
93.03339	16.3
97.02810	10.2
99.09241	7.6
101.02329	12.6
106.93736	7.9
107.04903	7.4
109.02852	24.1
111.00830	8.5
112.94561	6.7
113.02368	12.0
121.02812	8.5
123.04410	10.3
125.02335	19.0
133.02826	18.9
135.04440	74.5
137.02325	54.9
139.03902	8.9
149.02364	18.9
151.00313	14.3
151.03978	9.9
153.01799	11.0
163.00316	15.0
163.96292	6.8
165.01826	23.8
167.03406	37.5
171.10303	36.8
171.11458	6.9
177.01892	17.0
177.03326	8.1
178.32733	6.7
179.03400	36.5
181.01436	8.8
190.99734	11.0
191.03416	9.2
193.01289	12.1
201.11298	10.5
203.03371	7.8
205.01350	25.3
207.03094	8.1
209.04497	8.8
220.32921	7.9
221.00853	12.7
223.02444	34.4
225.11324	30.5
229.01460	7.7
245.04541	10.8
253.09448	13.2
255.03168	7.9
269.04706	8.6
271.02585	22.0
272.03137	8.8
273.04279	6.9
275.60190	7.6
285.04056	19.6
287.02252	16.3
287.05582	18.8
298.04865	13.5
299.05627	29.1
299.09042	8.0
313.03564	30.3
315.05255	33.3
316.02435	67.1
317.02884	26.3
327.05148	57.1
343.04608	8.4
345.05908	8.8
347.04181	11.0
357.06000	15.2
359.04034	62.8
359.07935	32.7
389.04791	16.7
393.10248	10.0
409.75745	8.1
461.06979	12.2
479.07535	100.0
479.24710	12.1
480.08585	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	478.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92438	1.6
57.01401	1.8
65.00190	4.7
65.69962	2.1
65.99727	3.0
70.38351	4.3
70.38716	4.0
81.03328	3.3
83.01267	2.7
95.01260	5.9
96.13836	1.9
97.02832	3.3
107.01274	8.7
107.30183	1.9
109.02832	4.3
121.02843	6.2
123.00780	6.8
123.04385	3.9
125.02330	16.4
132.04401	2.1
135.00731	2.0
135.83968	1.8
137.02379	13.9
142.50220	1.8
149.02385	4.7
151.00278	25.2
151.03894	8.9
153.01949	2.4
158.04753	2.1
161.02379	4.5
162.01834	3.6
163.00240	4.7
163.02626	3.3
164.01041	2.1
164.03452	6.0
165.01860	5.9
166.02667	3.5
167.03442	8.2
169.01346	4.0
176.03471	4.8
176.40610	2.2
177.01862	2.8
179.03409	4.8
180.94818	2.0
188.04852	3.6
190.01376	4.4
193.01343	22.0
199.03831	2.7
203.03458	3.2
206.04517	22.7
215.03406	3.2
219.02908	3.1
223.02394	4.3
227.03273	2.1
229.01447	9.8
230.02144	4.1
231.03012	4.0
232.02541	5.8
236.05598	3.1
243.02980	13.7
244.03764	28.7
245.04471	3.4
255.02878	2.2
257.00949	5.4
258.01633	7.1
259.02469	12.8
259.25464	2.2
271.02509	20.7
272.03265	38.6
273.03934	14.2
285.00528	2.9
285.03949	4.5
287.01776	9.4
298.03635	2.3
299.02084	2.5
300.02740	18.4
301.03290	6.5
303.05066	5.4
304.02271	5.5
310.03412	2.1
311.46881	2.3
313.02789	2.5
313.05984	5.8
317.03018	2.4
326.08908	18.6
330.03824	20.1
331.04266	3.0
340.04648	26.4
341.04990	2.9
357.05533	2.6
358.05673	63.9
359.06070	8.8
370.05649	16.2
388.06741	22.8
402.06070	3.4
420.06931	12.6
437.07263	8.0
438.07495	6.8
442.07925	6.3
442.59344	2.4
460.08868	64.2
461.09329	5.5
478.09897	100.0
479.10376	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	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.75565	0.9
60.01605	0.9
61.98710	1.9
63.68490	0.9
71.01247	1.1
78.95775	12.9
80.89266	0.8
89.02352	1.2
91.03877	4.8
100.49980	0.8
110.98428	6.0
111.08043	2.7
121.10139	1.2
151.11090	0.8
152.99533	1.1
158.52075	0.8
160.28992	0.8
167.01044	5.8
171.00566	1.7
171.10185	7.1
172.10489	1.1
174.46280	1.0
185.02151	3.8
193.12297	1.3
197.11812	10.6
198.12239	1.0
206.89830	1.0
211.13359	2.4
225.14999	1.5
280.31784	0.9
291.19666	8.0
301.03430	1.3
309.20728	21.0
310.21075	2.2
343.24872	37.8
344.25211	4.1
477.22632	18.2
477.28864	1.6
478.22729	2.4
499.25140	1.0
499.90607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70825	0.7
57.03293	1.0
58.00461	1.4
59.01252	100.0
59.69537	0.8
60.01600	0.8
61.98678	1.7
69.03321	0.8
70.78458	1.6
71.01240	4.0
73.02846	1.3
77.89191	0.8
78.95775	12.4
82.66049	0.7
89.02309	3.1
91.03870	3.8
92.76396	0.9
97.06480	1.0
99.08054	1.3
101.02322	2.8
104.48723	0.8
109.06493	1.1
110.98406	11.8
111.08035	9.6
113.02314	1.7
125.09618	1.0
127.07510	1.0
152.99480	1.4
153.12665	1.0
161.04463	2.0
167.01076	7.5
169.12250	4.1
171.10165	1.3
179.05496	1.1
181.12178	0.9
185.02159	6.2
193.12262	3.0
197.11771	45.5
198.12085	3.6
199.13342	2.2
209.11827	0.8
211.13359	5.3
225.14853	2.9
225.16887	1.1
227.12907	1.1
243.16008	1.2
246.69330	0.9
247.20615	1.1
263.20078	2.0
265.17929	1.4
273.18701	1.4
291.19681	14.3
292.20154	2.5
301.03561	1.2
304.07919	0.9
309.20709	50.6
310.21017	5.4
343.24890	32.9
344.25299	3.9
408.79065	1.0
417.24646	1.6
433.33456	1.1
477.22610	37.5
478.22916	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	7.5
57.03328	3.6
57.34782	1.3
58.00486	2.9
59.01251	74.7
61.98700	8.8
69.03336	4.1
71.01253	100.0
71.52206	2.0
72.01585	1.6
72.99177	4.5
73.02819	32.3
75.00748	2.8
80.18461	1.4
81.03305	3.2
83.01249	10.1
84.02073	1.4
85.02823	37.8
87.00758	6.7
87.29832	1.4
89.02317	52.7
93.03333	1.5
95.01277	7.1
97.02827	5.5
99.00754	25.9
99.04375	1.9
101.02322	69.8
109.02810	2.2
111.00778	2.2
113.02331	31.9
115.03909	5.4
118.97951	1.9
119.03379	8.8
123.00817	1.4
125.02332	14.3
129.28159	1.6
131.03401	8.8
136.07558	1.5
143.03403	6.2
149.04466	16.0
152.07047	2.1
159.02879	5.2
161.04463	36.2
165.12791	2.7
179.05563	2.0
191.05548	8.2
195.00436	1.5
200.21622	1.2
219.06725	1.7
221.06554	2.6
233.06609	15.9
283.32605	1.5
293.08832	5.8
301.03500	6.1
315.13495	3.2
345.19144	50.5
346.19568	6.3
417.25058	4.6
477.06213	1.9
477.23419	80.9
478.23837	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.2
57.03323	4.0
58.00459	2.8
59.01250	77.0
61.98706	1.6
67.01780	0.6
69.03323	3.3
69.27792	1.6
69.28220	3.1
71.01252	100.0
72.01592	1.8
72.99180	3.9
73.02820	29.4
75.00751	2.2
81.03329	1.3
83.01259	9.3
84.01581	0.5
84.02079	0.7
85.02821	27.8
85.99958	1.1
87.00744	5.8
87.04394	2.5
89.02316	74.9
90.02665	1.4
95.01267	5.6
97.02828	5.3
98.20520	0.7
99.00754	26.9
99.04391	1.6
101.02322	61.2
101.05961	1.6
102.02673	1.0
111.00777	1.6
113.02331	29.6
114.02686	1.0
115.03886	4.4
116.04259	0.6
118.32914	0.5
119.03389	12.4
125.02340	11.6
127.03878	0.9
129.01778	0.7
131.03395	12.3
132.03714	0.5
137.02312	0.5
143.03401	4.2
144.03810	0.5
149.04457	33.2
159.02870	4.6
159.06535	6.1
161.04465	29.5
162.04813	1.2
164.27232	0.5
175.11517	0.4
176.29840	0.5
179.05522	5.1
179.96918	0.4
191.05539	8.4
205.03523	0.7
215.05453	0.7
221.06609	1.1
221.90213	0.5
233.06616	10.3
234.07008	0.5
249.09732	2.8
251.07707	2.0
275.07803	1.0
293.08740	4.8
294.09161	0.6
345.19153	46.7
346.19550	5.8
381.14102	3.6
439.51483	0.6
477.23386	96.3
478.23694	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	477.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.6
59.01246	6.1
69.03331	1.8
71.01247	1.9
71.04887	1.0
71.07338	1.7
73.25149	0.9
78.95775	21.6
80.02541	1.8
81.03333	4.6
83.01249	12.3
83.04900	6.7
90.89174	0.9
95.04882	2.9
97.02799	1.6
97.06458	4.1
98.03634	1.3
99.08018	1.0
104.97285	0.9
106.27949	1.0
109.02814	1.3
109.06484	1.2
110.03632	0.9
110.98415	19.1
111.08041	2.2
123.04413	2.4
123.08034	3.2
125.06004	2.2
125.09618	12.0
126.09930	1.3
127.11179	1.0
135.08018	2.6
137.09610	1.6
139.11194	7.7
140.11488	1.0
141.09113	1.8
147.11607	1.4
149.09592	1.1
151.11224	5.7
152.99492	2.3
153.12784	1.6
162.10371	1.5
163.11206	11.1
164.11464	1.2
165.03546	1.0
165.09152	1.0
165.12758	18.7
167.01064	7.8
167.10681	7.9
168.11368	1.1
171.10097	1.4
175.11180	1.0
177.12807	1.5
178.46696	0.9
179.10666	1.6
181.12302	8.2
183.13908	1.8
185.02142	19.3
191.10698	7.5
193.12227	2.3
193.15921	4.9
197.11830	1.6
207.10202	1.5
209.11766	100.0
210.12093	8.0
211.13298	2.6
219.17545	1.6
225.11264	1.3
247.20657	14.0
248.21024	1.0
263.20102	1.5
265.21683	5.9
273.18616	3.6
281.21127	3.3
291.19662	92.9
292.19980	10.8
309.20706	91.6
310.21100	10.5
477.22552	50.9
478.23108	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	477.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.5
61.98701	0.9
69.51053	0.5
69.82841	0.6
71.01244	2.3
71.40993	0.5
72.90149	0.5
72.99193	3.4
75.00748	32.5
80.01128	0.6
87.00757	0.8
89.02319	5.1
102.96941	0.5
117.01837	2.2
135.02893	100.0
136.03247	1.8
179.03436	0.7
207.13750	0.6
218.97754	0.5
341.10934	1.2
390.20950	0.6
432.35519	0.6
477.11429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03323	1.3
59.01247	13.5
69.03320	3.3
69.45798	2.6
69.46218	3.8
71.01251	9.0
71.04895	2.5
73.02820	1.4
74.02325	1.0
75.00720	0.9
83.01245	1.2
84.66537	0.7
85.02823	2.3
85.93777	0.8
86.90234	0.7
87.00726	2.6
89.02322	7.0
95.01296	0.9
97.06443	0.9
98.20565	1.5
99.00779	0.9
101.02316	7.6
108.02041	2.6
109.02872	0.8
113.02332	4.2
115.00221	1.3
118.97962	3.1
119.03378	2.1
123.08026	1.4
125.09589	2.2
137.02318	0.9
149.04411	0.9
150.03102	1.1
151.00267	2.5
151.03967	1.1
151.11157	1.7
152.01068	2.0
153.12756	1.4
161.04453	2.1
161.09636	2.6
165.05496	0.9
169.02673	0.8
175.02318	1.6
178.99730	1.1
179.07079	1.0
179.10681	7.1
197.11763	92.6
198.12120	6.7
223.09760	2.3
241.10713	6.4
253.09262	5.3
271.33569	0.9
272.03287	1.4
273.04031	1.0
301.03497	10.4
306.80878	0.9
459.18628	1.1
477.19714	100.0
478.20221	14.3
478.26389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01261	5.0
63.02284	1.0
65.00198	2.0
69.03336	0.7
69.28892	5.3
71.01253	5.8
72.99169	0.7
73.02832	1.0
73.41940	0.6
81.03337	1.1
83.01271	2.0
85.02820	3.9
87.00797	1.1
89.02329	1.9
93.03350	1.2
95.01280	2.5
97.02867	0.8
99.00744	0.9
101.02298	3.0
107.01277	4.5
108.02057	48.9
109.02859	18.7
113.02336	3.0
117.03343	0.7
118.97926	0.6
119.01311	0.6
121.02831	2.9
123.00811	1.8
123.04410	1.0
125.02347	1.1
133.02852	21.0
134.03568	1.0
135.00795	1.0
135.04405	8.9
137.02371	1.7
143.03560	0.7
149.02336	0.8
149.06053	0.5
151.00276	13.5
151.03951	1.1
152.01060	65.6
153.01848	21.2
154.02196	0.9
159.04390	0.9
161.02354	60.3
162.02731	3.2
163.00301	2.8
163.03970	1.8
165.01898	2.3
167.03401	1.0
169.01398	1.1
169.12328	1.2
175.02415	1.0
177.02025	0.6
177.05397	0.7
178.99815	6.1
179.03412	5.9
180.03813	0.6
181.04977	0.8
183.04420	0.7
187.00209	0.8
187.03920	0.9
197.11775	4.2
201.05272	0.6
202.24985	0.6
203.03470	0.8
211.03999	1.0
221.04565	1.5
227.03537	1.3
229.01482	0.6
229.05034	1.4
245.04648	1.8
255.03023	2.2
271.02536	1.1
273.04041	1.9
283.02588	1.0
287.02048	1.7
297.00656	1.0
301.03519	46.7
302.03851	4.2
315.01984	3.0
315.07236	40.8
316.07507	3.0
323.07843	1.8
433.11502	5.8
459.09357	0.8
466.55133	0.6
470.04718	0.6
477.10526	100.0
477.19800	3.7
478.10880	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	477.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40584	0.4
57.03320	0.7
59.01255	7.7
61.98692	0.3
63.02262	1.1
65.00196	2.7
67.01746	0.4
67.21609	0.4
68.99663	0.6
70.80439	1.2
70.83166	0.4
71.01256	7.4
72.99180	2.4
73.02816	1.5
75.00735	1.4
81.03327	0.6
83.01257	2.2
85.02824	5.1
85.83960	0.4
86.07464	0.4
87.00768	2.0
89.02323	1.5
91.00243	0.7
93.03351	2.8
95.01283	2.4
97.02810	0.5
99.00726	2.0
101.02332	1.7
103.00264	0.9
107.01263	3.8
108.02055	19.6
109.02859	5.7
109.99944	0.4
111.00740	1.5
113.02335	6.2
115.00278	2.3
117.03373	1.0
118.97949	0.7
121.02834	2.9
123.00758	1.7
123.04380	1.0
124.01533	0.7
125.02325	1.8
129.01851	0.7
131.04866	0.5
133.02859	0.4
135.00774	0.9
135.04428	1.8
137.02356	0.8
139.00266	1.5
141.24417	0.4
143.04898	0.6
149.02348	1.2
150.03125	0.5
151.00279	11.5
151.03923	0.9
152.01070	10.9
153.01849	4.6
155.04918	0.9
157.06422	0.6
158.03636	0.7
159.04413	1.2
161.02426	0.7
163.00310	2.1
163.03983	0.8
164.00963	0.5
165.01904	0.7
165.05534	0.8
165.99037	0.5
167.03577	0.5
167.04910	0.7
169.01411	0.9
171.04416	0.6
173.05989	0.9
175.02441	2.4
175.03806	0.7
178.99794	4.9
179.03484	0.6
183.04422	1.6
185.05991	0.7
187.03842	0.9
189.05463	0.6
195.02895	1.8
197.11713	2.1
199.03983	0.7
201.05537	3.9
203.03349	0.6
208.00029	0.8
211.03896	3.6
217.05064	0.8
227.03474	2.6
228.03944	0.7
229.05016	3.0
239.03445	2.0
241.14377	0.6
243.02951	1.1
245.04547	4.3
255.02972	6.8
256.03580	1.6
257.04437	0.6
271.02487	1.8
272.03122	1.0
273.03998	2.1
273.19318	0.4
283.02487	4.2
284.02963	0.6
300.02576	0.7
301.03525	100.0
302.03854	9.2
313.03510	0.6
357.05597	0.5
415.10345	1.7
433.11322	4.0
434.11304	0.7
442.50351	0.4
477.06735	8.1
477.11359	2.7
477.19788	0.9
478.07092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69698	0.1
56.37723	0.1
56.42736	0.1
59.01249	1.6
65.00198	0.5
67.01758	0.2
68.99703	0.2
69.42110	1.2
71.01250	1.3
72.99177	0.3
73.02812	0.3
75.00748	0.4
83.01267	0.2
85.02812	1.2
87.00759	0.8
88.62495	0.2
89.02295	0.5
93.03341	0.2
95.01275	1.0
96.99178	0.2
99.00715	0.7
101.02313	0.4
106.97024	0.2
107.01236	0.2
109.02842	1.5
109.99966	0.4
111.00716	0.8
113.02329	1.4
115.00225	0.2
119.01281	0.2
121.02809	0.3
123.00766	0.7
124.98704	0.4
125.02346	0.2
131.04875	0.2
132.02052	0.2
133.02849	7.8
134.03229	0.5
135.00775	0.2
135.04424	3.1
136.01483	0.2
136.04724	0.2
136.98698	1.0
137.02348	3.3
139.00276	2.8
140.00667	0.2
147.00850	0.2
151.00273	0.5
161.02316	0.2
161.04436	0.2
163.00278	0.8
164.01086	0.4
164.98207	1.6
165.01868	2.7
165.12773	0.2
165.99026	0.4
166.99753	2.0
171.04399	0.2
173.02261	0.2
173.05965	0.2
175.02397	0.5
175.03909	0.8
178.99756	0.3
179.03497	0.2
183.04395	0.3
185.02304	0.2
185.06030	0.4
187.03918	0.9
188.04506	0.2
190.99788	0.4
192.00592	1.1
193.01173	0.2
197.02505	0.2
197.09796	0.2
197.11719	0.4
199.03912	0.7
201.01791	1.0
201.05432	1.0
203.03505	0.8
209.11778	0.2
211.03992	1.0
212.09479	0.8
213.01897	0.4
213.05530	0.3
214.02716	0.3
215.03517	0.9
216.04208	0.2
217.04900	0.2
226.02744	0.2
227.03537	1.2
227.11848	2.2
229.05020	1.2
231.02864	0.3
239.03560	0.7
240.04163	0.2
241.01434	0.2
241.14355	0.7
242.02100	0.8
243.02940	2.3
245.04503	0.4
255.02966	2.6
256.03458	0.4
257.04562	1.4
270.01730	0.6
271.02533	2.6
271.10919	1.5
272.03076	0.4
273.03973	0.7
276.78625	0.2
283.02563	0.9
284.03180	0.5
285.03992	1.4
286.04620	0.4
299.02106	1.0
300.02774	2.2
301.03525	100.0
302.03867	8.4
313.11847	0.4
314.04324	2.7
315.04919	0.8
315.09671	0.2
359.17450	0.2
371.04022	0.2
450.07608	0.2
477.05737	9.3
477.23831	0.3
478.06558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04831	0.2
56.48412	0.2
69.38378	0.2
78.95776	100.0
90.29383	0.2
96.96839	8.0
98.19709	0.4
131.01300	0.2
132.42818	0.3
140.01059	0.4
152.99490	15.2
153.99754	0.4
158.53603	0.2
169.72221	0.3
171.00558	19.0
172.00867	0.3
214.04871	0.4
265.59686	0.3
402.24182	1.4
476.27826	52.6
477.28094	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	477.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39880	0.7
59.01241	1.8
63.02266	2.9
65.00194	4.1
65.06970	0.7
70.09796	0.8
71.00937	1.0
71.01254	2.3
72.99191	0.7
75.00722	0.9
83.01260	4.4
85.02812	1.8
93.03361	1.3
97.91013	0.6
107.01284	8.6
108.02039	1.2
109.02851	5.2
109.53605	0.7
113.02323	2.6
119.01276	1.0
121.02814	7.8
135.00824	0.7
139.03938	0.8
143.38710	0.7
149.02386	1.2
151.00266	26.6
152.00681	1.1
159.04391	0.9
161.02338	1.4
163.00246	4.6
164.01035	0.7
169.01408	0.7
170.49451	0.6
175.02399	1.2
178.99791	10.4
183.04457	1.4
185.02277	0.6
187.03833	0.8
201.05515	1.1
211.03949	2.0
227.03419	2.0
229.04990	1.3
239.03275	0.7
245.04536	3.5
255.02965	5.2
256.03525	1.0
257.04523	0.7
271.02448	1.6
273.04062	1.7
283.02521	0.8
291.16180	0.6
301.03519	100.0
302.03833	8.9
477.06638	14.8
478.07166	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	476.2781
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.55474	0.2
62.96273	0.3
70.12129	0.4
78.95776	100.0
85.11431	0.2
96.96841	8.7
116.52060	0.2
126.33755	0.2
150.97899	0.3
152.98134	0.2
152.99490	17.9
171.00555	20.5
172.00891	0.3
214.04793	0.3
234.42642	0.2
402.24139	1.6
476.27814	49.5
477.28137	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	475.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65283	0.7
59.01252	100.0
60.01584	1.3
61.59488	0.7
61.98707	1.0
62.83640	0.7
70.08891	2.5
71.01246	2.2
78.95776	3.3
83.04901	1.2
86.88540	0.7
89.02286	1.2
91.03876	4.8
97.06472	1.2
98.19832	0.8
101.02330	1.7
105.72021	0.7
109.06448	1.3
110.98418	3.0
111.04446	1.2
121.02856	0.9
162.82571	0.8
167.01065	2.6
171.10242	1.8
185.02037	1.2
193.12286	2.3
211.13307	1.0
222.42574	0.7
225.14932	3.4
243.16103	1.2
245.19019	0.9
289.18121	12.6
290.18353	1.5
307.19144	1.5
341.23309	35.3
342.23706	4.5
380.77429	0.9
475.21039	6.1
475.28381	2.5
476.21451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	0.6
51.12381	0.6
59.01252	100.0
60.01593	1.3
61.98706	1.7
71.01253	2.4
71.51283	1.0
71.51651	0.8
76.64214	0.7
78.95780	0.7
81.03307	0.7
89.02329	1.2
91.03889	4.7
97.06480	1.4
99.04465	0.9
101.02378	0.8
132.22195	0.7
167.27904	0.6
171.10236	2.5
193.12218	1.6
206.57727	0.7
211.13402	1.2
225.14886	3.2
226.15344	0.8
243.16005	0.9
249.35503	0.7
259.02695	0.8
266.67239	0.8
301.03656	1.1
331.43201	0.8
341.23325	35.1
342.23618	3.5
415.27396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24731	0.5
57.03321	1.0
58.00462	1.4
59.01249	100.0
60.01587	1.0
61.98707	1.6
69.33024	4.3
71.00853	1.0
71.01250	18.6
72.99187	1.4
73.02842	1.4
75.00780	0.6
77.35499	0.4
83.01272	1.0
85.02817	2.9
87.00755	1.3
87.50198	0.4
89.02316	26.1
95.01278	1.1
101.02318	11.6
109.02848	1.4
113.02332	9.2
117.18896	0.4
118.97964	2.0
119.03374	11.2
131.03423	1.5
137.02374	0.7
143.03398	3.0
143.86096	0.5
143.87535	0.4
149.04506	0.8
161.04437	4.7
162.01994	0.5
179.05528	9.0
212.27490	0.5
221.11760	2.7
239.12895	1.4
299.64291	0.5
382.42001	0.5
415.23190	2.9
475.22473	0.8
475.28989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.60789	0.2
59.01253	100.0
59.36093	0.3
60.01593	1.0
61.98693	0.6
69.31197	2.4
71.01257	2.7
72.99183	0.4
73.02831	0.7
75.00744	0.3
80.89885	0.2
83.04906	0.4
85.02829	0.7
87.00732	0.3
89.02325	2.2
93.03338	0.4
95.01265	0.4
101.02341	2.0
113.02305	1.4
119.03407	1.0
125.02325	0.4
137.02345	1.4
143.03421	0.3
148.48030	0.2
151.03941	0.3
161.04483	0.9
179.05569	0.7
191.03526	0.3
193.05057	0.4
195.13779	0.3
221.11786	2.9
239.12967	1.7
240.13176	0.3
253.09283	0.3
269.21335	0.3
283.02637	0.5
283.05692	0.3
357.13284	0.3
415.23416	0.9
475.22427	0.8
476.12399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
58.00461	0.8
59.01249	100.0
60.01593	1.2
61.98716	0.7
71.01250	19.9
71.31583	1.0
72.99202	0.7
73.02829	1.9
83.01249	0.9
84.62114	0.6
85.02822	3.4
87.00755	1.3
89.02315	32.1
95.01266	1.0
99.00767	1.6
101.02320	12.4
101.02923	1.0
109.02837	0.9
113.02323	10.4
119.03396	12.3
125.02307	0.9
131.03407	2.2
143.03392	3.2
149.04449	2.5
160.01608	0.7
161.04465	5.1
167.11076	0.6
169.58479	0.6
175.03912	0.8
179.05528	11.7
221.11740	1.4
343.17657	1.3
415.23080	1.4
462.81064	0.6
475.22156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
58.00463	0.5
59.01250	22.4
61.98693	0.9
65.78617	0.4
70.66450	0.9
70.66776	0.5
71.01254	10.4
71.51408	0.5
72.53738	0.3
72.99207	0.5
73.02814	1.5
78.95832	0.5
83.01274	1.0
83.04895	0.6
84.43432	0.4
85.02819	2.8
87.00739	1.0
89.02317	9.2
92.54103	0.4
95.01269	0.6
95.04906	0.6
97.06497	0.8
99.00760	0.6
101.02319	7.8
102.02679	0.4
113.02323	3.8
119.03387	3.4
127.13809	0.4
130.28755	0.4
131.03352	0.5
133.04861	0.5
143.03368	0.5
153.20007	0.4
159.11673	0.8
161.04488	2.5
175.11316	0.4
177.12764	10.8
178.13080	0.6
179.05511	0.9
195.13835	100.0
196.14185	6.9
203.10783	0.9
211.56911	0.5
221.11755	2.9
235.08235	1.1
239.12869	11.6
240.13234	1.3
253.09248	10.6
254.09676	0.5
313.16397	0.5
415.23401	0.5
457.20752	0.5
475.21820	79.8
476.12054	0.5
476.22156	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	475.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09855	1.8
57.03321	4.4
59.01252	21.7
60.65628	1.6
61.98699	1.7
65.03869	1.5
66.56107	1.4
69.03339	2.6
71.01254	2.7
71.52548	1.6
78.95781	27.3
81.03329	5.9
83.01250	10.9
83.04909	5.4
93.03291	1.6
95.04895	5.1
97.02841	6.2
97.06490	5.5
110.68002	1.7
110.98421	22.1
111.08043	2.4
113.05954	1.7
119.08468	2.2
121.06448	3.1
123.04413	8.1
123.08073	4.2
125.09615	17.7
128.33185	1.7
135.08072	3.7
137.05913	1.5
137.09612	11.0
141.12762	2.0
142.02600	1.9
147.11794	2.0
163.07639	2.5
163.11183	16.3
165.09114	1.7
165.12773	5.4
167.01106	6.8
167.10742	1.9
171.10199	1.9
177.12738	3.6
179.10727	3.9
181.12274	4.5
185.02115	21.4
185.11775	13.8
191.10768	4.2
191.14328	15.6
207.10202	10.3
209.11763	74.5
210.12151	6.9
211.13324	2.3
217.15930	2.2
225.11288	11.1
243.17462	2.1
245.19067	38.0
246.19427	3.2
246.54445	1.5
263.20035	3.0
271.17075	3.5
289.18094	100.0
290.18484	12.0
307.19147	66.0
308.19543	6.2
475.21021	50.7
475.27502	2.3
476.21542	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	45.1
61.10692	0.9
69.48866	7.0
71.01257	2.0
73.02806	1.0
75.00747	17.3
79.37897	0.9
89.02331	1.1
90.24996	1.1
90.63200	1.0
90.69832	0.9
101.02330	2.3
122.42636	1.0
123.48144	1.0
135.04436	1.4
146.03636	34.8
147.04149	1.7
161.04639	1.2
161.05981	11.7
164.04709	25.1
179.07062	100.0
179.41048	1.1
180.06032	0.9
180.07365	5.4
402.26477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.0
61.56391	0.5
61.98703	100.0
69.59921	2.8
71.01261	2.0
73.02838	0.6
73.31265	0.6
87.64749	0.5
88.63264	0.6
89.02338	1.9
91.69166	0.6
93.03357	0.6
98.20590	0.5
119.03337	0.9
123.05723	0.6
131.76758	0.6
135.83482	0.7
137.02356	1.3
148.05206	22.7
149.05498	1.0
154.26495	0.5
163.07559	31.4
164.07916	1.2
221.11742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62488	0.3
53.75854	0.3
56.48109	0.3
57.09940	0.3
59.01252	0.5
61.97869	0.3
61.98703	0.3
62.96287	0.4
64.77874	0.3
69.69876	2.0
74.58326	0.3
76.31072	0.3
78.95776	100.0
79.22051	0.3
89.16435	0.4
96.96842	8.9
98.20500	0.7
140.01083	0.8
152.99489	16.5
171.00552	16.5
172.00989	0.4
196.03786	0.7
214.04767	0.5
220.42674	0.4
277.21744	4.1
400.22733	1.0
474.26239	52.6
475.26529	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	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73436	4.5
57.31328	4.7
59.01244	10.9
65.27567	4.6
69.57503	12.0
69.57915	23.6
71.01237	25.0
72.99178	38.5
75.00742	12.2
77.40913	5.1
83.85432	4.5
89.02299	14.4
89.17221	4.5
98.20557	5.6
103.00254	7.0
113.02347	6.6
115.00263	19.7
115.83683	5.1
115.93237	5.0
119.12551	4.1
132.02901	8.8
132.94565	9.0
133.01332	100.0
133.04994	5.8
135.02910	25.5
244.35686	5.1
341.10782	10.3
350.33057	5.2
475.13791	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90332	0.3
51.21118	0.3
59.01249	100.0
60.01583	1.3
61.74235	0.2
70.43026	0.5
70.43423	0.6
71.01254	2.3
73.02818	0.7
80.26582	0.3
83.01270	0.5
85.02834	0.8
89.02319	0.4
96.76249	0.4
101.02345	1.6
113.02334	0.9
135.28099	0.3
150.74110	0.3
161.04376	0.4
168.25961	0.3
179.06946	0.3
182.42265	0.3
188.78624	0.3
221.37849	0.3
279.66901	0.3
287.57263	0.3
353.19684	0.6
371.20917	1.6
413.22025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.39464	0.4
60.01587	0.9
71.01266	1.4
73.02822	0.4
85.02842	0.9
88.15076	0.3
89.02309	0.6
90.85166	0.3
101.02325	0.9
104.95235	0.3
113.02334	0.7
161.04449	0.5
199.37608	0.4
229.97980	0.4
338.08109	0.3
353.19818	0.7
371.20761	1.3
404.22443	0.4
407.98611	0.3
413.21951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11511	0.5
53.83849	0.6
57.03323	2.6
59.01249	56.1
61.98700	1.3
69.03331	3.1
69.48254	3.7
71.01254	5.2
71.04884	1.6
73.02820	1.5
78.91320	0.6
79.59733	0.5
83.01270	0.7
85.02825	1.9
85.06488	0.5
87.00771	1.2
89.02308	2.0
95.01271	0.6
99.04404	5.0
101.02312	2.9
113.02322	2.0
119.03392	0.8
121.02847	1.0
125.02314	0.7
140.66341	0.6
141.09048	0.6
152.94106	0.6
161.04414	1.0
176.74768	0.6
181.12341	0.6
184.78899	0.5
195.32158	0.5
209.11852	0.7
216.48813	0.6
235.08182	0.7
251.16496	100.0
252.16818	9.7
253.09355	1.0
271.02454	0.8
284.03186	0.9
285.03989	4.6
286.04816	2.3
287.22159	1.5
293.17508	1.2
296.11594	12.3
297.04111	0.7
302.60693	0.7
311.12152	3.3
313.03528	3.1
356.13550	1.0
431.26620	3.4
473.27988	3.4
474.27676	0.8
495.16776	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
69.51539	6.4
71.01249	3.2
72.28087	0.8
73.02815	1.7
89.02319	1.4
101.02377	1.4
111.98618	0.9
113.02333	1.5
128.03493	0.9
227.12737	0.9
299.05093	1.2
307.66589	1.0
473.27579	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01574	0.7
61.98714	0.9
62.98567	0.4
65.29312	0.5
71.01237	1.1
71.51770	0.5
73.02829	1.0
74.03614	0.4
89.02325	1.1
94.18700	0.4
101.02336	0.6
113.02332	0.7
119.03429	0.5
128.03448	0.6
128.66728	0.5
140.07001	0.6
161.04498	0.5
200.89284	0.5
212.31282	0.5
225.58920	0.5
228.38763	0.6
260.16406	0.5
352.04074	0.5
413.22141	1.4
431.11108	0.6
473.28546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66582	0.8
59.01252	100.0
60.01578	1.3
61.98686	1.7
69.64476	4.9
82.14915	0.8
104.72945	0.8
114.53294	0.9
117.65101	0.9
120.14489	0.8
134.04604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47741	0.3
56.45078	0.3
59.01252	100.0
60.01594	1.2
61.98708	0.9
69.18693	3.2
71.01253	2.5
71.61760	0.3
73.02818	2.5
83.01266	0.9
85.02843	0.7
89.02344	1.1
101.02316	2.8
108.02068	2.4
109.02875	0.7
113.02322	1.4
119.03400	0.5
125.02351	0.4
130.08691	0.3
131.03473	0.4
152.01065	1.8
153.01851	0.5
161.04514	0.8
205.12442	0.3
249.14900	0.7
325.79953	0.3
342.26059	0.3
471.18869	1.4
472.19379	0.5
472.25864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92381	6.7
65.00188	13.1
68.99696	10.7
69.03315	17.7
69.41109	50.7
71.01251	7.2
78.09393	5.9
78.39301	6.6
81.03319	10.5
83.01247	25.3
85.02831	12.3
93.03310	10.4
95.01269	22.8
95.19185	6.6
97.02814	44.4
99.00760	19.2
107.01261	24.4
107.07216	8.1
109.02831	37.8
111.00759	35.5
113.02306	11.0
119.01238	9.4
119.04890	16.8
121.02834	22.8
123.00730	24.3
123.04440	8.5
124.01523	9.9
125.02359	77.2
133.02829	17.5
135.04407	12.1
137.02341	61.7
139.00253	42.0
139.03908	19.7
140.01117	11.9
141.01814	54.2
141.06947	5.8
149.02335	30.4
151.00296	53.3
151.03938	16.4
152.28574	6.9
153.01846	46.3
159.04413	15.2
161.02322	24.4
163.00266	40.9
163.03926	10.6
164.01047	10.0
165.01817	52.9
166.99744	19.4
167.03381	31.2
171.04320	8.1
173.02322	10.4
174.03107	12.0
175.03896	23.9
177.01872	33.4
178.99762	14.3
179.03456	15.3
181.01320	28.0
183.02861	20.6
187.03900	18.9
189.01884	17.4
189.05579	9.6
190.02597	11.1
190.99760	19.0
191.03438	26.5
193.01326	49.6
199.03870	10.5
201.01836	14.1
202.02588	9.0
203.03450	48.1
204.04184	11.2
205.01349	36.6
205.04985	27.9
206.99191	12.0
207.02922	18.2
209.00821	37.9
210.01254	8.7
211.02481	7.9
215.03436	23.3
217.05035	22.1
218.05310	7.6
219.02994	37.0
221.00877	9.0
223.02351	19.0
229.01280	11.1
230.02184	8.5
231.02914	41.8
232.03607	9.9
233.04535	66.6
235.02328	13.2
243.02901	30.4
245.00983	12.2
245.04559	49.5
246.01575	12.0
246.04417	7.5
247.02431	29.3
249.03972	36.0
250.73486	6.9
257.04471	8.7
258.01749	9.2
259.02423	43.7
261.04007	57.9
263.02136	8.2
263.05219	7.7
271.02408	25.3
272.03238	20.7
273.00183	10.1
273.03979	19.2
275.01920	7.4
275.05548	15.7
277.03424	13.6
287.01981	66.6
288.02560	12.1
289.03555	99.3
290.00711	13.7
291.05066	13.2
299.01947	7.4
301.03217	14.7
303.01517	13.6
303.07278	9.1
305.02820	12.6
317.02930	35.4
319.04431	47.0
331.04819	7.1
333.02475	66.1
347.03824	10.7
351.03558	10.6
352.04532	13.3
363.03506	19.7
381.08490	11.2
382.08936	10.7
409.07886	17.6
419.06122	7.8
420.06860	15.0
424.18997	8.7
435.05603	16.4
437.07117	26.6
453.06747	100.0
454.07272	13.3
471.07611	69.3
472.08719	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	470.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01295	10.9
62.76440	10.1
69.51968	49.9
69.52374	29.7
78.08073	9.9
88.76800	10.3
97.02870	17.3
102.72591	10.6
102.77361	10.2
109.02840	19.6
112.91492	11.4
119.05048	11.2
121.02866	15.3
125.02353	26.4
137.02312	19.1
139.00352	11.4
163.00275	11.2
178.99731	10.9
193.01324	13.6
203.03429	11.8
205.01372	11.4
245.04558	13.4
287.02597	19.1
287.05508	100.0
317.03265	14.1
317.06677	19.6
407.09854	12.7
436.76071	11.6
471.07813	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	9.3
61.98702	2.5
65.82877	2.7
68.33765	2.5
70.02693	12.6
71.01251	3.9
72.99178	15.2
75.00755	15.7
79.91586	2.3
83.01258	5.2
87.00768	2.7
96.95893	3.0
99.00767	11.7
112.98686	10.3
113.99501	3.0
117.01836	3.0
121.02841	3.1
123.60520	2.5
129.14357	2.7
135.02898	27.3
142.99777	11.0
145.01294	4.1
151.03896	3.6
156.00562	6.8
165.09180	3.7
165.12785	12.0
173.00819	7.6
174.01614	100.0
175.02249	7.7
175.07616	5.4
182.09381	2.9
204.11447	2.9
205.04889	3.7
211.13179	2.5
225.14833	3.2
233.04575	4.7
242.17567	10.1
279.23334	17.5
289.21667	4.1
291.23352	3.5
295.22672	15.3
296.49249	2.8
304.36661	2.5
307.22891	25.8
315.19754	6.8
317.21194	4.9
319.22717	7.0
321.24329	3.6
323.22318	2.6
329.21350	7.4
333.20691	34.9
335.22223	6.1
345.20551	3.8
347.22253	25.3
348.22729	4.4
349.56946	3.1
351.21710	34.6
352.22018	5.6
369.22574	3.0
371.22525	2.8
373.20145	19.6
374.20792	3.9
389.23407	7.8
391.21347	9.5
403.21347	11.8
404.21735	3.7
409.22339	7.2
415.21054	5.8
433.22281	16.4
451.23294	16.9
469.25073	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.8
57.03322	2.9
58.00487	1.7
59.01252	35.9
60.08010	0.7
69.03314	2.3
69.47973	1.2
69.48375	4.5
71.01253	100.0
72.01581	2.0
72.99182	3.4
73.02820	25.9
73.89916	0.7
75.00754	3.2
81.03342	1.9
83.01259	7.7
85.02825	27.9
85.99972	4.5
87.00750	13.4
87.04388	2.5
89.02318	39.2
90.02680	1.0
95.01273	4.6
97.02828	6.3
98.19743	1.3
99.00754	20.2
99.04378	4.8
101.02323	48.6
101.05967	1.8
102.02686	1.5
109.02816	1.0
111.00761	2.7
113.02335	27.4
113.05954	1.0
115.03912	6.7
115.07554	2.6
117.05405	0.8
119.03387	3.0
125.02327	11.6
127.03984	0.7
129.01814	2.2
131.03410	8.4
143.03429	4.2
143.07048	10.5
145.04955	1.4
149.04448	10.1
155.03366	0.9
159.02934	3.8
161.04474	20.7
161.05838	1.0
161.08102	12.8
161.09352	1.1
162.04796	1.2
173.04442	4.5
187.09706	10.2
191.05598	3.7
205.03641	1.2
205.07121	7.4
215.09169	3.6
233.04677	1.0
233.06668	7.5
235.16020	0.7
255.38359	0.8
277.12906	22.8
278.13486	1.7
293.08817	3.9
303.49139	0.9
305.12302	1.5
327.49619	0.7
341.92831	0.7
347.54248	0.7
359.93796	0.7
375.73596	0.7
409.12646	1.0
409.17157	65.1
410.17447	7.7
437.16614	96.1
438.16913	10.1
469.19492	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	469.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	6.1
57.03324	7.0
59.01254	14.3
65.86156	2.4
68.99683	10.8
71.01259	31.6
71.20754	5.1
72.99178	18.1
73.02823	3.9
75.00736	12.4
75.02460	5.3
83.01257	19.6
84.99181	2.8
85.00897	5.7
85.02818	7.6
87.00290	2.3
87.00754	11.6
88.98695	6.1
94.80286	2.2
96.99181	3.5
99.00754	40.5
99.02467	3.6
100.98656	4.3
101.02346	7.4
101.69601	2.2
103.00278	5.8
109.00896	2.9
111.00771	40.0
111.01486	4.1
112.98692	93.8
113.98946	2.4
114.98322	3.0
115.00254	15.7
115.02004	5.7
117.01826	9.9
121.66432	2.4
124.98669	3.6
127.00308	3.8
128.03490	3.7
129.01817	16.8
130.02164	3.1
135.48782	2.8
136.39648	2.1
142.99796	13.4
143.01414	4.9
143.03412	4.7
145.01337	91.1
145.03052	3.8
154.99745	3.6
157.01306	5.7
171.00972	10.8
173.00850	23.6
175.66301	2.3
199.00461	3.9
201.02046	4.1
203.03580	5.4
205.03535	5.7
231.03151	16.2
245.04623	4.0
263.05847	59.4
264.06119	3.7
288.16473	2.6
297.94098	2.8
333.06482	2.8
365.09253	3.5
391.06967	5.7
396.38831	2.4
409.07739	3.0
451.09058	10.4
469.10123	100.0
470.10458	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	469.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79412	1.5
57.03312	1.7
59.01220	4.5
64.92933	1.4
65.00185	3.9
67.01740	2.7
68.99688	2.6
69.03290	7.3
70.99516	2.1
70.99833	2.2
71.01217	6.2
79.01733	3.5
81.03302	6.7
83.01257	8.2
85.02805	3.9
87.00734	2.4
89.02357	2.1
91.01725	2.5
93.03297	5.2
95.01270	12.6
97.02837	12.7
99.00774	7.8
105.03349	1.9
107.01283	10.5
108.02015	2.7
109.02835	12.3
111.00755	23.0
111.04347	2.3
113.02279	5.2
119.01238	1.7
119.04877	2.7
121.02870	7.6
123.00784	13.2
123.04353	6.4
124.01501	4.4
124.98712	2.6
125.02338	32.8
127.00210	2.5
131.04886	2.2
131.23056	1.7
133.02774	6.6
133.06389	1.9
135.00684	4.5
135.04390	3.1
136.98698	3.2
137.02351	21.6
139.00278	29.5
139.03845	6.1
140.00992	3.7
141.01859	19.8
145.02789	2.3
145.99809	2.0
147.04382	3.0
148.01422	2.4
148.72987	1.6
149.02350	11.6
149.06001	1.7
150.99146	2.1
151.00282	32.4
151.03838	5.8
152.00945	1.8
153.00674	2.4
153.01843	30.4
154.02557	2.3
154.99690	6.2
155.03299	1.8
157.01097	2.2
159.04347	4.7
161.02365	8.3
161.05942	4.2
163.00262	13.3
163.03798	6.6
164.01016	3.6
164.98206	3.5
165.01871	16.8
165.98889	3.4
166.99838	8.9
167.03438	16.5
169.01241	7.1
171.04402	4.1
173.02357	3.4
174.03046	2.1
175.03853	7.3
176.00977	4.5
177.01855	19.1
177.05370	1.9
178.99817	13.1
179.03320	6.0
180.97713	2.1
181.01364	22.6
183.02890	11.7
187.03818	7.4
189.01863	8.6
189.05423	3.3
190.02510	4.5
190.99742	4.5
191.03416	12.6
192.00462	2.8
193.01372	27.3
195.02843	3.9
197.04492	7.6
199.03836	2.3
201.01735	4.5
201.05470	2.1
202.02469	3.1
202.99739	3.0
203.03546	10.9
204.04088	2.7
205.01379	16.7
205.05032	14.3
206.01973	6.0
206.99297	14.8
207.03008	8.8
207.99985	2.9
209.00906	14.2
211.02237	2.6
213.01840	3.5
213.03908	1.8
214.02522	2.2
215.03467	9.7
217.01405	8.5
217.04868	4.1
218.01949	5.0
218.99310	3.9
219.02899	18.5
221.00894	15.3
221.04353	2.4
222.01431	1.7
223.02303	6.6
227.03491	2.0
229.01295	4.6
230.02051	3.0
231.02924	14.8
232.00055	3.6
232.03462	2.4
233.00661	6.7
233.04517	20.5
234.01485	3.8
235.02393	10.8
243.03059	9.4
244.00015	2.7
245.00975	18.5
245.03329	2.7
245.04416	3.7
246.01418	3.2
247.02487	12.8
248.02905	2.6
249.00278	4.1
249.03893	5.3
251.01817	2.5
257.00787	4.4
257.04379	3.1
258.01715	11.0
259.02444	31.8
259.99661	3.0
260.02811	4.6
261.00180	5.3
261.03857	20.7
261.06320	2.6
262.00952	5.2
263.01807	5.0
263.05618	2.7
265.03510	2.5
271.02469	12.3
272.03204	8.0
273.00296	12.3
273.03802	7.3
274.01166	8.1
274.03897	2.3
275.01938	28.4
276.02203	2.3
277.03546	17.3
279.05173	2.3
285.00232	3.7
285.03616	3.1
286.00845	2.5
286.99139	2.7
287.01962	31.9
288.02536	9.6
289.00006	2.7
289.03293	8.2
290.00589	3.8
290.03583	2.1
291.01297	4.3
291.04889	7.5
293.03192	1.8
299.01651	6.3
300.99896	2.2
301.03098	22.1
302.00375	2.0
303.01514	15.0
303.07254	8.1
304.02121	3.0
305.03046	32.9
306.00320	8.6
306.03241	3.4
307.00916	2.3
307.04468	5.1
313.03104	3.4
315.01160	5.4
317.02875	17.5
318.03076	2.6
319.00690	7.4
319.04416	4.7
320.01297	2.0
321.02338	2.8
327.03653	2.4
329.04883	8.6
329.70599	1.9
331.00720	8.8
331.04422	19.1
333.02231	6.6
335.03873	7.5
341.05020	2.7
347.03802	3.9
349.02219	13.6
349.05557	13.5
361.01697	1.9
379.02710	6.0
379.06897	3.0
381.07980	6.6
395.06100	9.5
397.07877	12.7
403.06070	1.8
407.06094	8.8
408.06528	4.5
421.07843	13.5
423.05908	10.0
424.06036	3.7
425.07275	20.2
426.07318	2.7
433.99844	1.8
435.05389	6.4
436.01202	2.5
436.06467	29.2
437.06479	3.8
438.07468	3.5
441.06537	2.6
451.05017	33.4
452.05692	8.5
469.05869	100.0
470.06146	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	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62391	2.4
51.37042	2.1
57.03311	3.6
59.01242	7.9
61.98700	6.6
69.65525	15.2
71.01246	14.6
72.99178	8.6
75.00748	28.9
83.01228	7.6
87.00739	10.5
90.22018	2.5
91.71739	2.2
99.00766	14.6
99.69451	2.4
102.35959	2.6
111.00750	5.4
111.08012	2.9
112.98680	24.2
115.00272	17.2
117.01828	2.4
129.01772	3.3
135.02052	2.9
135.02882	29.8
142.99751	28.1
156.00479	3.1
157.13766	2.8
165.12784	6.5
173.00816	15.3
174.01610	100.0
175.02408	24.2
180.07582	2.8
191.10677	2.5
206.94141	3.0
277.21713	14.5
278.22058	3.8
293.21295	12.6
305.21194	23.0
312.74002	2.4
317.21082	4.2
321.20987	3.1
331.19070	21.6
345.20624	22.4
349.20319	6.1
369.20776	4.2
371.18787	23.2
372.18933	3.2
387.21729	3.8
389.19620	7.3
413.19800	3.8
431.20572	3.7
449.21652	16.5
467.22891	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75246	1.2
54.70047	1.5
55.01761	1.7
57.03307	1.7
58.47943	1.5
58.54093	1.5
59.01249	100.0
66.63751	1.7
69.03332	1.4
70.91743	2.7
71.01251	36.3
71.58537	1.3
72.01576	1.7
72.99181	3.9
73.02819	24.9
75.00758	1.9
81.03342	4.1
82.94835	1.3
83.01261	4.8
83.04896	14.2
85.02817	14.4
87.00747	7.4
87.04401	3.3
89.02315	31.9
97.02878	2.0
97.73320	1.4
98.02348	1.8
101.02321	50.9
103.03879	16.7
113.02341	7.2
115.03903	4.0
119.03356	13.0
121.93626	1.4
125.02322	3.3
127.03904	2.8
131.03404	12.1
143.03413	14.6
145.04961	6.9
161.04536	1.5
163.06029	68.4
171.10181	33.5
172.10393	1.8
179.05510	5.6
205.07100	25.7
207.15033	1.8
224.17633	3.1
227.23109	1.6
253.09422	2.7
265.09274	6.3
266.22879	1.5
266.51367	1.5
326.20187	1.6
333.22772	1.9
351.23761	2.0
356.70474	1.8
397.92410	1.4
407.19180	28.9
408.19354	4.0
449.31323	13.2
465.30533	1.8
466.30994	2.9
467.09082	1.9
467.21228	3.9
467.32407	39.1
468.32730	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.6
57.03320	2.5
59.01252	66.7
61.98713	2.2
62.32320	1.3
69.30682	8.4
69.31100	2.1
71.01255	42.2
72.99172	2.3
73.02821	18.2
74.67825	1.0
83.01257	12.2
85.02824	23.8
87.00758	2.6
89.02307	5.2
95.01262	2.6
95.91988	1.1
99.00749	7.6
101.02328	45.9
101.98664	1.0
103.03855	1.7
111.00750	1.5
113.02332	19.6
125.02308	1.6
127.87106	1.1
143.03406	1.9
153.01833	1.4
159.02890	5.1
161.04471	20.0
163.06013	1.5
205.03395	1.5
216.88689	1.4
261.13428	68.2
262.13773	5.6
300.78818	1.1
407.19226	100.0
408.19583	11.5
467.06299	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	466.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39406	0.5
59.01243	2.6
61.98703	100.0
69.47809	1.0
69.48224	2.4
71.01244	0.6
78.95766	1.7
88.03931	0.5
91.37051	0.4
98.20505	1.0
110.67653	0.5
152.99510	0.9
271.02338	0.6
289.43008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03323	1.0
59.01253	50.2
60.01599	0.7
69.03324	0.3
69.53149	0.5
69.53561	1.2
71.01257	11.1
71.19379	0.2
71.69117	0.2
72.99191	0.5
73.02818	4.3
83.01258	2.8
83.16760	0.2
85.02829	6.8
85.76085	0.3
85.99969	0.4
87.00774	0.8
89.02296	1.5
95.01286	0.7
97.02879	0.3
98.20570	0.2
99.00734	1.7
101.02326	9.9
111.00771	0.8
113.02335	4.0
119.03401	0.4
125.02385	0.3
129.01826	0.3
129.09138	0.5
143.03419	0.4
159.02901	0.6
161.04497	2.4
187.41872	0.3
223.93089	0.3
229.14360	2.2
241.48505	0.3
243.19656	0.9
253.09203	0.4
272.02841	0.2
285.20633	0.6
306.75128	0.3
337.02869	0.3
344.72739	0.3
405.24854	3.1
406.25012	0.6
407.39633	0.3
445.23325	0.3
447.25949	4.2
448.26315	0.7
465.27032	100.0
466.27359	15.9
480.51486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.6
57.03315	2.4
58.00457	1.5
59.00953	1.2
59.01250	18.7
65.10841	0.6
71.01241	16.2
71.04892	1.3
72.99174	2.5
73.02816	6.5
75.00729	0.8
82.15415	0.7
83.01270	5.1
85.02831	10.2
87.00743	1.4
89.02320	3.6
95.01248	1.5
97.02815	0.7
99.00748	2.8
101.02325	13.9
104.77226	0.6
111.00735	1.2
113.02329	6.8
113.09579	1.3
115.68882	0.6
116.76548	0.7
125.02316	1.3
125.09656	0.9
127.11180	1.1
129.09119	1.3
143.10657	2.1
157.12299	0.9
161.04451	2.5
167.03340	1.0
178.65735	0.6
209.11763	0.9
211.13423	0.7
229.14395	17.8
230.14650	1.5
237.18539	0.7
253.09277	2.1
257.21179	0.9
285.20746	5.8
303.04749	0.7
303.13806	1.0
303.21750	8.0
304.21848	0.9
345.06259	0.7
447.25916	8.1
448.26584	0.9
465.27029	100.0
466.27383	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	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
59.01252	4.7
61.98711	3.0
62.28614	0.5
71.01264	3.3
71.51888	0.7
71.52275	0.8
83.01244	0.9
85.02812	0.8
89.02315	1.7
101.02319	2.8
101.59967	0.6
108.02038	1.8
109.02831	5.0
113.02326	1.7
119.03407	0.9
121.02826	0.9
123.00819	0.5
125.02340	4.3
133.02872	1.4
137.03490	0.5
144.07175	0.5
149.02434	0.6
151.00237	0.7
152.01009	0.6
153.01753	0.6
161.04480	0.6
163.05911	0.6
165.05382	0.8
167.03368	1.2
177.01788	0.9
185.06157	0.6
185.11755	6.7
193.01282	0.8
199.03908	0.8
200.04741	0.8
213.05461	1.5
227.03442	1.3
228.04282	2.5
228.13258	0.7
229.05009	3.6
229.14430	5.5
239.03458	1.3
240.04146	0.7
241.05019	1.4
242.02200	0.7
243.02669	0.9
253.09216	2.1
255.03040	2.9
256.03766	9.9
257.04373	3.3
269.04501	1.0
271.02499	3.8
272.03152	2.0
283.02518	2.4
284.03244	9.5
285.04016	20.3
286.01620	0.6
286.04333	2.7
297.04001	1.5
298.80948	0.6
303.04932	0.7
303.21643	0.6
312.02682	1.8
313.03531	46.6
314.03922	4.2
315.05106	1.0
316.02206	4.1
325.03317	1.2
343.04538	17.2
344.04898	2.3
345.06161	2.7
355.04605	2.2
375.07294	0.5
415.06702	1.4
418.60660	0.6
433.07736	100.0
434.08038	14.1
437.10883	0.9
465.10245	8.2
465.19818	5.6
465.26682	1.2
466.11050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
55.86347	1.0
57.03318	3.5
59.01246	12.6
61.98695	1.9
67.01749	1.2
68.20732	0.9
68.99666	1.3
69.03329	22.6
71.01253	5.5
71.31034	1.3
72.99171	1.2
73.02823	1.8
75.65130	0.8
77.88470	0.9
80.02555	1.3
81.03330	14.2
83.01261	6.7
83.04892	1.8
85.02828	7.1
89.02309	1.7
93.03349	4.9
95.01285	4.3
95.04904	8.9
97.02831	46.4
99.00752	15.7
99.04391	13.0
101.02336	3.0
105.03320	1.0
107.04942	1.0
108.02066	1.5
109.02832	12.5
111.00767	20.5
111.04420	5.4
113.02329	4.5
117.03336	7.4
121.02842	4.7
123.00773	2.1
123.04424	5.4
124.01549	2.8
124.22133	1.0
125.02335	34.7
126.02600	1.0
127.03864	2.4
133.02853	9.6
135.04405	4.8
137.02348	15.6
139.00293	14.3
139.03920	18.1
140.01074	7.3
141.01837	34.8
149.02330	3.7
151.00220	1.5
151.03929	5.0
153.01833	22.1
154.02158	1.3
155.03426	2.7
159.04420	3.7
161.02362	2.0
161.04391	1.0
163.00276	0.9
163.03954	1.7
165.01843	8.4
167.03410	80.3
168.03748	2.8
171.02916	1.4
177.01846	4.3
177.05492	1.0
178.02473	1.4
179.03424	6.0
183.02910	100.0
184.03238	5.4
191.03423	1.5
193.01340	4.0
195.02983	2.4
197.04485	11.0
203.03453	4.9
205.01381	1.6
207.02888	3.1
207.04868	1.8
209.04521	1.3
213.03975	10.5
235.02455	12.5
241.89407	0.9
251.01785	1.0
261.06110	11.2
285.06213	2.2
287.07736	6.2
299.05548	1.2
303.07227	48.1
304.07578	3.2
327.05075	2.6
345.02060	1.8
345.06061	26.3
346.06439	2.6
375.07269	2.8
441.35953	0.9
465.10284	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	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
59.01252	4.7
61.98711	3.0
62.28614	0.5
71.01264	3.3
71.51888	0.7
71.52275	0.8
83.01244	0.9
85.02812	0.8
89.02315	1.7
101.02319	2.8
101.59967	0.6
108.02038	1.8
109.02831	5.0
113.02326	1.7
119.03407	0.9
121.02826	0.9
123.00819	0.5
125.02340	4.3
133.02872	1.4
137.03490	0.5
144.07175	0.5
149.02434	0.6
151.00237	0.7
152.01009	0.6
153.01753	0.6
161.04480	0.6
163.05911	0.6
165.05382	0.8
167.03368	1.2
177.01788	0.9
185.06157	0.6
185.11755	6.7
193.01282	0.8
199.03908	0.8
200.04741	0.8
213.05461	1.5
227.03442	1.3
228.04282	2.5
228.13258	0.7
229.05009	3.6
229.14430	5.5
239.03458	1.3
240.04146	0.7
241.05019	1.4
242.02200	0.7
243.02669	0.9
253.09216	2.1
255.03040	2.9
256.03766	9.9
257.04373	3.3
269.04501	1.0
271.02499	3.8
272.03152	2.0
283.02518	2.4
284.03244	9.5
285.04016	20.3
286.01620	0.6
286.04333	2.7
297.04001	1.5
298.80948	0.6
303.04932	0.7
303.21643	0.6
312.02682	1.8
313.03531	46.6
314.03922	4.2
315.05106	1.0
316.02206	4.1
325.03317	1.2
343.04538	17.2
344.04898	2.3
345.06161	2.7
355.04605	2.2
375.07294	0.5
415.06702	1.4
418.60660	0.6
433.07736	100.0
434.08038	14.1
437.10883	0.9
465.10245	8.2
465.19818	5.6
465.26682	1.2
466.11050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03331	2.6
59.01250	1.1
59.07146	0.4
67.01773	0.5
67.59615	0.4
68.99689	0.5
69.03331	0.8
71.00884	0.8
71.01264	0.8
71.04882	1.1
73.54856	0.4
75.10952	0.4
79.95412	0.5
81.03329	16.8
83.01245	4.1
84.02034	0.5
93.03321	1.3
95.01281	0.5
95.04907	8.4
97.02834	4.9
99.04395	17.0
100.04742	0.7
105.03365	1.0
107.01305	0.5
108.02055	0.8
109.02827	7.3
111.04401	1.5
121.02837	1.3
123.04418	8.1
124.04721	0.4
125.02339	36.5
126.02660	1.3
133.02852	13.7
134.03165	0.6
135.04399	1.1
137.02339	5.5
137.05928	0.6
139.03926	3.5
147.04413	0.5
149.02359	1.9
151.00256	0.5
151.03926	1.2
161.02335	0.5
163.00188	0.5
163.03935	2.5
165.01865	1.4
167.03413	100.0
168.03749	4.2
175.03967	0.8
177.01872	4.0
179.03337	2.0
191.03400	1.4
192.00555	0.9
193.01343	4.4
197.04488	16.0
205.01401	1.1
206.02209	0.7
207.02927	1.3
209.04474	2.7
219.02863	0.6
225.35474	0.5
227.05563	0.5
233.04607	0.5
235.02452	15.7
236.02861	0.7
259.02408	0.8
265.03513	3.7
269.06674	1.0
287.07736	7.7
288.08109	0.5
327.05176	1.3
345.06143	21.9
346.06543	1.8
355.06775	0.8
375.07452	2.8
465.09625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41329	0.4
59.01246	1.8
59.74802	0.5
61.98703	100.0
62.06073	0.4
65.50869	0.5
71.01282	0.7
74.00897	0.5
78.95771	4.9
96.95897	0.8
96.96866	0.5
106.72532	0.4
115.59935	0.4
135.04424	1.9
137.02332	0.7
137.91211	0.4
152.99493	7.6
153.99895	0.9
171.00533	0.5
174.06822	0.6
190.88794	0.5
209.11835	0.6
258.16190	2.7
271.02347	0.5
301.00043	0.5
464.09106	0.7
464.21201	1.6
465.22507	1.1
466.25491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40890	1.1
53.58434	1.2
59.01251	4.3
59.37216	1.2
65.00208	3.4
70.80347	2.8
71.01254	1.7
81.03336	5.4
83.01263	3.6
93.03365	2.8
94.99040	1.3
95.04896	1.7
97.02822	3.3
99.04411	3.7
105.03355	2.2
107.01258	4.1
109.02817	3.9
119.07074	1.6
121.02835	4.6
123.00737	1.8
123.04404	4.6
125.02359	14.7
133.02821	2.4
135.04420	2.2
137.02374	7.4
139.03937	1.9
149.02338	7.0
151.00281	38.9
151.03847	1.6
152.00674	1.6
153.01819	2.3
155.03365	4.7
161.02330	2.0
163.00259	10.0
164.01071	1.7
165.01859	19.0
167.03423	19.0
177.01907	4.1
178.99762	1.3
179.03432	3.3
181.01308	3.7
190.00877	1.3
190.99745	1.5
193.01360	33.3
194.01659	1.9
197.04524	2.4
200.01099	3.5
205.01399	8.1
223.02444	34.8
224.02771	2.0
235.02429	5.4
242.99324	2.4
254.99461	1.6
256.00070	2.2
257.00873	1.8
285.00436	64.1
286.00809	5.8
287.07849	1.4
297.00452	3.6
303.01547	1.9
303.05090	2.1
312.99951	14.1
315.01480	100.0
316.01764	10.0
319.70706	1.4
327.01337	4.9
329.02982	1.3
343.00964	22.1
344.01373	3.0
345.02515	39.3
345.06348	5.0
346.02805	2.4
357.02661	2.8
369.02576	1.7
375.03571	18.6
376.03748	1.9
387.03503	12.7
405.04767	10.7
415.03110	9.7
416.03439	1.5
433.04120	26.3
434.04626	2.1
447.05542	7.1
465.06683	47.4
465.12906	2.9
466.07266	7.5
484.96063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
61.98703	100.0
70.66334	0.9
71.01280	0.6
75.75558	0.3
85.32611	0.3
101.24748	0.3
125.02342	0.3
131.31885	0.3
134.30640	0.3
158.13390	0.3
167.03439	0.7
243.02884	0.3
258.01672	0.5
271.02521	0.6
272.03265	0.4
301.03619	1.4
327.01425	0.4
331.04575	0.7
344.04257	0.7
374.05460	0.7
403.24646	0.3
421.07925	0.7
447.05582	0.6
464.08667	1.6
465.08981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53111	0.5
51.92986	0.5
59.01253	2.4
61.98705	100.0
71.01252	0.8
71.23206	1.1
78.95778	10.0
79.95614	0.9
95.95175	0.4
96.95914	3.3
96.96864	1.0
100.05338	0.4
134.57803	0.5
152.99503	15.6
153.99883	0.9
171.00470	1.1
209.11842	0.8
210.12164	0.7
227.12849	0.6
228.13091	0.8
464.20566	3.1
465.22253	3.3
465.50766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76744	0.3
57.03309	0.6
59.01227	1.4
61.49059	0.3
64.35949	0.3
71.00331	0.8
78.95773	6.1
83.04905	0.4
93.42191	0.3
101.68481	0.4
110.98413	6.3
113.09616	2.6
117.23299	0.4
149.26550	0.4
152.99425	0.5
167.01097	2.5
177.12796	0.6
179.14285	1.2
181.12230	0.6
185.02130	5.2
185.59502	0.3
195.12041	0.8
195.13834	16.9
196.14197	1.1
207.04927	0.4
233.22693	0.4
277.21719	14.1
278.22049	1.4
295.22772	100.0
296.23111	11.4
331.36716	0.4
373.19952	0.5
405.31979	0.4
421.70709	0.5
463.24667	18.0
464.25055	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01249	2.1
67.62133	0.6
70.79144	0.5
71.09548	1.0
71.09883	0.7
78.95779	24.4
104.97354	1.3
110.98418	19.7
113.09606	3.2
167.01056	17.3
168.01398	0.7
171.10185	1.7
177.12761	0.6
179.14398	1.7
185.02110	5.5
194.98746	1.1
195.13838	17.6
196.14194	1.8
209.11797	1.7
209.35373	0.5
233.22664	0.8
272.03302	0.7
277.21722	18.1
278.21991	1.7
293.21112	1.1
294.21579	0.7
295.22775	100.0
296.23120	9.6
338.70847	0.6
463.24658	45.4
464.24963	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	464.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34415	6.9
57.03323	8.2
59.01252	25.1
65.00206	9.9
70.84753	13.7
71.01247	9.9
77.79730	6.9
81.03330	19.5
83.01257	11.5
93.03346	22.1
97.02790	15.1
97.82568	6.7
98.02378	8.8
99.04395	11.5
107.01254	9.8
109.02859	26.9
113.02332	7.8
117.03334	13.2
121.02901	14.3
123.00795	6.9
123.04417	15.3
125.02334	72.0
132.04449	12.2
133.02818	13.0
137.02364	29.5
149.02380	21.0
151.00288	36.9
153.01846	10.7
161.02370	15.4
163.00288	12.2
165.01836	23.0
167.03410	96.0
167.76685	7.3
174.05527	8.3
177.01823	8.3
182.04506	12.4
193.01421	68.6
197.04527	12.4
205.01419	7.7
205.47299	6.5
211.02446	29.1
217.04974	9.6
218.04561	12.4
223.02457	27.8
224.02911	6.3
235.02571	9.6
241.03471	11.8
243.02841	8.7
245.04599	10.9
257.04514	16.8
259.06238	9.0
261.04034	9.3
273.03867	7.9
285.03986	14.6
302.06607	12.9
303.05099	21.6
315.01465	14.7
326.06635	36.1
344.07712	100.0
345.06128	15.3
356.07840	15.5
374.08807	46.2
401.29459	6.9
419.77151	7.0
446.10858	16.8
464.11911	57.7
465.11990	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	463.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00415	1.6
53.46404	1.4
57.72496	1.6
59.01244	5.1
68.99695	2.9
71.01244	2.0
71.52014	2.0
78.95781	8.9
99.00751	5.7
107.04939	1.8
108.02046	3.2
109.06483	1.8
110.98422	2.9
117.03362	2.6
119.04883	2.4
121.02806	4.8
131.04936	2.2
133.02829	8.0
134.03625	5.0
135.04439	2.3
143.04929	2.3
147.04385	7.1
148.99973	6.8
149.02306	6.5
150.06665	2.5
152.99532	2.3
159.04410	2.2
160.01520	1.7
161.02325	4.8
161.05989	3.9
163.03893	5.0
163.05276	1.7
166.10791	1.6
167.01028	1.7
171.10124	2.4
173.06023	2.9
175.07581	2.3
177.05499	2.1
178.06265	7.3
187.07613	1.6
189.01863	13.3
189.05533	2.6
191.03419	4.0
194.98796	19.3
195.13776	2.5
203.14375	2.4
206.05728	2.8
209.11743	6.2
215.10930	1.8
215.14401	3.9
216.07811	1.9
217.05074	1.9
227.12845	2.1
233.15337	2.5
247.16925	2.1
251.05452	2.0
259.13571	1.7
271.02423	2.7
272.03217	5.6
274.69827	1.6
276.13690	1.5
277.14679	2.2
277.21622	5.9
295.22748	22.9
296.23029	2.4
309.17004	4.7
320.16385	2.2
327.19601	2.2
334.14078	2.7
341.21182	6.5
342.21521	2.2
343.04504	3.9
345.20612	7.4
345.24310	2.8
346.14240	3.3
359.22214	8.8
371.18372	2.4
373.20169	90.4
374.20563	13.7
375.21567	3.3
385.20099	2.9
389.23376	34.2
390.23703	4.9
394.16165	10.7
403.21313	24.9
404.21808	2.7
463.10806	11.5
463.23376	100.0
464.23648	18.3
482.98050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
55.33504	0.3
56.00407	0.4
57.03324	1.5
58.00470	0.5
59.01252	100.0
60.01593	1.2
60.04909	0.4
61.98704	0.9
68.99680	0.6
69.03325	1.3
69.19511	2.2
69.19933	1.4
71.01255	17.7
71.04907	0.5
72.99193	1.5
73.02823	7.7
75.00764	0.9
76.88380	0.4
79.29198	0.4
81.03336	1.1
82.15110	0.4
83.01264	2.6
83.04905	0.6
85.02824	11.6
87.00753	7.2
89.02311	4.5
89.02747	0.4
93.03366	1.6
95.01283	1.4
95.04905	0.4
97.02822	2.0
98.20545	0.9
99.00761	3.8
99.04400	0.5
101.02322	9.7
102.02642	0.5
108.02074	0.8
109.02844	0.6
111.00766	1.0
113.02327	10.7
115.03912	0.9
123.04424	2.0
124.01581	1.0
125.02341	2.6
125.05996	1.7
127.11221	1.2
129.01863	0.6
131.03458	1.1
137.02391	1.6
139.03928	0.5
141.05498	1.3
143.03432	0.9
151.03912	0.5
153.05612	0.4
155.03482	1.1
159.02963	0.8
161.04485	4.4
169.05051	0.9
183.13914	1.1
186.09413	0.5
191.05649	0.4
199.13391	1.5
205.07086	0.5
209.11777	8.6
210.12341	0.5
227.12842	4.2
233.06728	0.6
235.41725	0.4
241.14551	0.5
253.09250	2.1
271.02597	0.8
272.03345	1.0
283.19159	0.5
289.16641	5.0
290.17050	0.8
293.08920	0.8
300.02832	0.5
301.03571	0.5
301.20364	0.5
329.37723	0.5
343.04691	1.0
348.53320	0.4
370.20889	0.5
403.19733	8.2
404.20154	0.7
411.69757	0.4
421.20810	18.9
422.20966	2.1
463.08987	1.0
463.20142	0.6
463.26361	2.0
463.31177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13543	0.3
55.01758	0.9
57.03318	0.5
58.00468	0.5
59.01252	9.8
69.03370	0.4
69.65270	1.0
69.65687	1.0
70.31194	0.3
71.01255	7.0
71.40710	0.3
72.99185	0.5
73.02831	1.8
81.03368	0.3
83.01268	0.8
85.02821	2.1
86.67366	0.3
87.00760	1.4
89.02322	4.8
95.01255	0.5
97.02860	0.4
97.06464	0.5
99.00734	0.4
101.02325	7.2
111.08034	0.3
112.44611	0.3
113.02322	2.7
119.03404	1.0
120.34799	0.3
126.74257	0.4
133.04988	0.5
133.42487	0.3
143.03391	0.7
161.04446	2.6
165.12766	7.1
166.13148	0.5
179.05495	0.6
183.13828	100.0
184.14159	5.9
199.13362	0.5
209.11768	3.6
227.12827	10.2
228.13220	1.1
235.08183	1.7
253.09239	8.6
283.02682	0.4
417.24612	0.7
445.20297	0.4
463.21762	66.2
464.22067	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03335	0.6
57.41678	0.3
59.01250	6.4
69.03355	0.3
69.34917	2.1
71.01254	4.5
72.99183	0.6
73.02809	1.3
78.95789	0.6
83.01262	0.4
83.83816	0.3
85.02836	1.9
87.00761	0.9
89.02325	2.8
90.98506	0.3
95.01270	0.4
99.00768	0.4
101.02319	3.4
111.08075	0.6
113.02327	1.9
119.03400	0.9
125.02328	0.3
129.01865	0.3
133.04980	0.3
143.03383	0.3
161.04439	0.9
165.12762	8.6
179.05539	0.4
183.13831	100.0
184.14177	6.8
199.13297	0.4
205.03432	0.4
209.11806	2.5
223.04433	0.3
227.12849	10.7
228.13139	0.8
235.08215	1.3
253.09282	5.1
254.09601	0.4
271.02393	0.4
301.03424	0.5
301.16489	0.4
301.19751	0.3
445.20462	0.5
463.21793	50.6
464.22110	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15368	0.8
55.01753	1.0
59.01252	17.9
61.98703	15.7
65.00188	2.1
69.80508	2.6
69.80905	1.8
71.01257	11.4
72.99181	3.1
73.02811	1.1
75.00748	100.0
81.03320	2.0
83.01238	2.6
85.02815	3.8
87.00745	1.0
87.04413	1.2
89.02312	8.5
91.56773	0.8
93.03327	2.1
95.01270	1.3
95.04889	1.0
97.02820	2.5
98.20556	1.0
99.00755	0.9
99.04381	1.2
101.02331	6.3
105.18055	1.0
107.01227	1.3
109.02813	5.0
111.00780	1.8
113.02335	3.4
119.03394	3.9
119.04860	0.9
121.02831	2.0
123.00768	1.3
123.04403	0.8
125.02327	6.8
130.09216	0.8
133.02849	5.5
134.37154	0.8
135.04410	3.1
136.98706	1.0
137.02364	6.4
139.00220	0.9
141.01866	1.3
143.03493	1.0
147.00829	1.2
147.04404	1.4
149.02347	7.9
150.03067	1.2
151.00226	3.6
151.03897	2.7
153.01831	3.6
155.03441	1.0
161.02356	2.4
161.04480	3.7
163.00281	3.6
163.03857	1.6
164.01068	1.8
165.01845	5.8
167.03362	3.7
175.04042	1.1
175.51582	0.9
177.01945	4.2
179.03438	4.3
179.05518	3.4
181.01366	2.3
182.01999	1.0
187.03963	2.1
189.01817	2.6
191.03360	2.4
193.01401	5.9
195.02856	1.4
203.03419	1.2
205.01378	1.7
206.02081	2.4
207.02893	8.5
209.11777	17.8
213.52542	0.9
215.03459	2.1
217.05173	0.9
219.02896	1.0
223.02446	1.7
225.05522	1.1
227.03520	2.0
227.12936	6.5
229.04956	1.2
231.03030	1.2
233.00822	1.2
235.02478	1.3
241.05081	1.6
242.02292	1.0
243.03018	1.6
253.05183	1.5
253.09259	3.2
256.03738	1.2
257.04556	2.5
258.01657	1.4
259.02518	1.7
269.04581	4.8
270.05307	1.0
271.02518	1.8
271.06082	2.5
272.03146	1.5
283.02451	1.5
284.02975	1.0
284.51776	0.9
285.04053	4.0
286.04459	1.3
297.04095	4.2
298.01318	2.1
298.04654	2.1
299.02271	1.6
299.05594	5.4
300.02725	16.7
300.05936	1.0
301.03448	9.3
313.03522	7.9
314.04272	6.0
315.04999	7.3
325.03510	3.7
327.04974	2.4
329.06638	1.2
331.04477	1.2
343.04559	50.2
344.05002	6.7
355.04562	2.0
357.06281	1.6
364.01196	1.1
373.05600	17.9
374.05844	2.5
385.05612	1.5
403.06656	3.3
403.19901	2.6
445.07977	4.8
446.08633	1.1
463.08786	56.2
464.09164	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	1.2
57.03360	0.9
59.00987	1.1
59.01304	13.9
59.81290	0.5
60.54317	0.4
70.39074	1.6
71.00897	1.1
71.01254	19.0
72.99249	1.4
73.02818	6.7
75.00811	1.8
80.02610	1.3
81.03374	0.8
83.01259	2.4
83.04906	3.9
84.02103	0.9
85.02831	8.3
87.00840	1.6
87.94859	0.5
89.02313	7.6
93.03375	0.7
95.01357	1.7
97.02896	1.1
99.00741	2.7
101.02323	13.0
102.02683	0.8
109.02908	0.9
109.99968	0.6
113.02335	6.6
119.03458	1.8
125.02394	1.6
129.01888	0.9
131.03409	0.7
135.04492	0.7
137.02359	1.2
137.05962	0.6
143.03441	1.3
149.04500	0.8
159.02902	0.9
161.04468	10.0
163.11183	2.5
165.12781	2.5
169.12289	1.3
179.05606	0.6
181.05037	0.8
181.12436	0.7
185.11769	3.7
191.10748	0.6
199.13324	6.2
205.03336	0.8
209.11772	100.0
210.12125	6.5
227.03424	0.6
227.12846	23.0
228.13171	1.8
233.06531	0.6
235.08217	0.8
243.02927	1.4
253.09256	14.5
255.02966	4.1
257.04492	1.1
271.02472	3.8
272.03201	1.2
281.06586	1.4
283.02280	1.0
300.02725	3.8
301.03476	3.3
331.14197	0.8
331.17612	8.7
332.17801	0.8
463.02768	0.7
463.08606	8.9
463.21362	21.2
464.08780	1.3
464.21552	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03315	1.3
58.00444	1.3
59.01252	13.3
59.45738	0.6
68.73232	0.5
71.01254	15.5
71.51678	0.9
72.99199	0.9
73.02819	5.1
75.00725	1.5
75.98207	0.6
80.02549	1.4
81.03331	1.6
83.01252	2.2
83.04900	4.9
84.02052	1.3
85.02823	7.5
86.97686	0.6
87.00741	1.9
89.02326	7.4
94.00492	0.6
95.01266	1.6
99.00764	2.2
101.02328	12.2
109.02850	1.9
111.00759	1.0
113.02359	5.5
115.03879	0.9
119.03401	2.0
125.02269	1.1
131.03369	0.8
135.08116	0.8
143.03426	1.1
147.04465	0.7
149.04483	1.2
151.00278	0.7
159.02849	1.2
161.04472	7.2
163.11229	3.2
165.12798	1.7
167.51323	0.6
169.12291	1.3
179.05562	0.9
185.11708	3.6
191.10684	0.8
199.13333	7.8
205.03308	0.6
209.11775	100.0
210.12117	6.4
215.03619	0.8
223.04620	0.6
227.12860	30.7
227.15135	1.4
228.13191	2.4
233.06659	0.9
233.62108	0.6
243.02844	2.3
253.09261	14.9
254.09550	1.0
255.02875	1.1
257.08136	0.8
258.01663	6.5
259.02399	9.0
270.01791	1.0
271.02484	9.7
272.03271	8.3
273.03986	1.6
285.04028	2.6
298.01111	1.3
300.02695	2.7
301.03510	28.9
302.03830	2.6
313.03537	1.9
331.04572	14.9
331.17548	5.6
332.04868	1.7
332.17816	0.6
367.04291	0.6
427.16229	0.7
445.07721	1.7
463.08725	11.6
463.21707	19.6
464.08978	2.2
464.22119	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37555	0.2
59.01254	4.3
61.98695	1.3
67.01748	0.3
68.99672	0.5
69.03318	0.7
71.01242	0.8
73.02790	0.5
78.95779	0.7
81.03334	1.9
83.01263	0.4
85.02820	0.5
87.00741	0.3
93.03324	0.8
95.01262	4.0
97.02826	0.8
101.02325	0.3
105.03350	0.8
107.01267	3.5
107.04932	0.3
108.02087	0.2
109.02876	1.3
109.99955	0.3
111.00779	0.5
111.04406	0.5
113.02303	0.5
119.01244	0.2
121.02841	2.0
123.00768	3.4
123.04382	0.5
124.01596	1.1
125.02339	5.8
133.02852	0.5
135.04391	0.6
136.01579	0.8
136.65425	0.2
137.02344	2.6
141.01837	0.6
145.02821	0.5
149.02327	1.0
149.99490	77.1
151.00285	12.5
151.03871	0.3
152.00774	0.4
152.99521	0.3
161.02382	0.4
163.00246	0.3
163.03870	0.7
165.01883	2.1
167.03415	0.4
169.01328	0.9
173.02386	0.2
176.00848	0.2
177.01845	0.9
179.03404	0.4
191.03397	0.3
193.01338	1.5
197.79707	0.2
199.13333	0.5
205.01361	0.3
209.11798	1.0
227.12794	1.5
253.09357	0.2
272.03049	0.3
273.93185	0.2
290.53470	0.2
295.04623	0.9
311.07724	0.2
355.06699	100.0
356.07040	9.5
373.07721	0.8
463.21121	0.4
463.30817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89275	1.3
51.03751	1.4
53.15244	1.5
55.01746	3.5
57.03315	3.5
59.01253	66.0
61.98689	2.2
64.71431	1.5
68.04915	1.3
69.03326	1.4
71.01255	53.1
71.52001	1.3
72.99199	7.4
73.02822	17.7
74.02353	14.4
75.00738	3.4
83.01243	6.8
85.02824	18.3
87.00748	7.2
89.02320	38.0
95.01269	2.6
97.02850	4.1
97.03948	1.7
99.00764	18.2
99.05528	2.7
99.08064	1.6
99.90077	1.5
100.00254	1.8
101.02331	35.1
101.69604	1.5
108.08036	2.3
108.89948	1.3
109.03950	3.5
110.09652	7.1
111.00794	7.6
111.01488	1.3
111.05519	6.4
112.98696	7.4
113.02330	16.2
115.00218	7.5
115.03872	1.6
118.97939	2.6
119.03399	5.0
121.06351	1.4
122.09647	1.8
125.02360	7.4
125.03128	1.4
125.07087	5.4
129.01846	3.6
131.03413	7.7
137.02318	2.5
138.05507	2.8
142.99687	3.2
143.03430	1.9
143.04518	6.5
143.06979	2.6
145.01280	4.7
149.04466	17.9
150.09114	1.7
155.76408	1.6
159.02856	2.2
161.04471	11.2
164.09433	3.0
169.06084	2.1
169.12262	2.9
173.00826	5.3
175.02475	1.7
177.03310	20.7
179.05502	1.7
179.11836	32.3
180.12138	3.2
181.12108	1.7
185.11754	5.9
191.05583	7.5
199.13391	9.7
205.03468	14.7
209.11780	19.4
211.10823	3.3
221.06538	4.8
223.10831	100.0
224.11092	7.0
225.12384	1.7
227.12856	13.3
228.13324	2.1
233.06578	4.2
251.07733	1.7
253.09142	3.4
257.09647	18.1
258.09708	1.9
265.18195	2.2
272.03088	2.0
283.19107	4.3
285.20837	2.0
285.28882	1.6
293.08752	2.8
300.02689	2.8
301.03430	6.8
301.11929	4.8
301.20050	5.2
331.17572	6.9
343.08344	3.2
343.12625	1.9
347.12827	4.5
353.10892	3.1
375.63242	1.8
403.23297	2.9
445.24228	2.3
463.08618	5.2
463.25903	83.1
464.26471	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	1.1
59.01251	12.7
61.08199	0.5
61.98707	1.1
69.24434	7.1
69.99575	0.7
71.01258	11.9
72.99184	1.2
73.02816	2.8
75.00752	1.4
80.16321	0.7
83.01248	1.7
83.04897	1.7
85.02824	4.5
86.20428	0.7
87.00766	1.1
89.02317	6.7
95.01270	1.4
99.00768	3.4
99.04364	0.9
101.02326	6.1
108.02063	1.3
109.02821	3.8
109.67946	0.6
113.02334	6.3
114.02717	0.9
119.03394	1.8
125.02331	1.6
131.03391	0.8
141.12805	0.7
143.03409	1.0
149.04486	2.3
151.00302	1.1
161.04500	3.3
163.00284	2.2
163.11206	1.4
167.10638	0.8
169.12326	1.7
171.04456	1.2
179.03452	0.8
185.06067	1.0
185.11754	5.0
187.03961	1.2
189.02011	0.8
190.99828	1.7
199.04022	1.2
199.13322	9.0
209.11768	32.5
210.12155	1.5
214.02747	0.9
215.03468	4.1
227.03450	2.8
227.12857	15.3
228.04204	1.0
228.13062	1.0
229.04898	2.0
230.02092	0.9
230.05270	1.4
231.05534	1.0
233.88968	0.9
241.04961	1.0
241.14429	0.8
242.02126	0.8
243.02983	5.8
243.05209	1.1
244.03285	0.9
245.04501	1.1
253.09274	6.8
255.02934	3.3
258.01685	26.1
259.02457	34.9
260.02826	1.6
270.01550	1.1
271.02472	40.2
272.03229	30.8
273.03879	6.4
283.02631	1.3
285.04047	14.6
286.04410	6.0
287.04633	11.9
298.01337	4.2
299.01907	1.4
300.02774	4.0
301.03522	100.0
302.03882	8.4
313.03589	5.7
314.03946	0.7
315.04901	1.4
331.04590	62.0
331.17511	2.0
332.04865	6.0
339.04828	1.0
343.04578	3.1
361.05350	0.8
367.04630	1.3
385.05652	3.6
420.66223	0.8
445.07755	6.7
463.08777	41.3
463.21765	5.2
464.09097	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.3
61.98687	1.8
63.50079	0.7
65.00180	2.8
67.01754	0.8
68.67158	0.8
69.03307	0.9
71.00175	1.6
71.01242	3.8
73.02799	0.9
75.00745	2.1
77.30212	0.7
79.01758	1.0
81.03317	1.6
83.01254	1.7
89.02304	2.1
91.01756	1.2
93.03332	3.4
93.76195	0.9
94.86102	0.8
95.01263	1.9
95.04910	0.9
97.02812	1.8
99.00741	0.8
101.02310	2.4
107.01261	2.2
107.04902	1.4
108.02109	0.7
109.02856	9.0
111.00742	2.1
113.02357	1.5
114.48651	0.7
117.03362	1.6
119.03402	1.1
119.04924	0.9
120.85986	0.9
121.02842	5.6
123.00739	2.3
123.04392	0.7
125.02353	5.0
133.02855	16.4
134.03137	0.7
134.03606	0.7
135.04411	6.6
136.01556	0.7
136.98656	2.1
137.02356	7.5
140.81100	0.8
145.02838	1.7
147.00726	1.0
147.04405	0.9
148.01521	0.7
149.01208	1.3
149.02350	15.0
150.03073	1.1
151.00230	2.9
151.03926	4.5
153.01840	2.8
153.09027	1.4
159.04356	1.2
161.02362	4.3
161.04370	1.4
163.00305	5.7
163.03923	4.0
164.00993	0.9
165.01863	9.0
167.03368	2.3
171.04379	1.0
173.02341	1.0
177.01857	4.7
178.99721	1.9
179.03416	4.5
179.05559	1.2
181.01262	1.2
187.03896	1.7
189.01842	3.1
190.99802	1.4
191.03430	4.0
193.01347	7.7
195.02914	1.1
199.03952	2.1
199.09845	0.7
200.04855	0.8
201.01868	2.2
201.05620	1.0
202.99800	1.0
203.03416	1.0
205.01277	1.7
206.01987	1.5
207.02972	6.0
209.11812	8.9
211.03996	1.2
213.05511	2.2
214.02725	0.8
215.03409	2.6
217.01324	1.6
217.04872	0.7
221.00801	3.9
223.02174	0.7
225.05493	4.7
227.03491	2.3
227.12941	3.6
228.04189	1.6
229.05067	1.2
231.02960	0.8
240.04364	1.1
241.05054	2.2
243.02936	2.0
243.06642	0.9
253.05048	1.9
253.09328	1.5
255.02956	2.2
256.03641	2.4
257.04550	1.9
259.02420	1.5
267.03244	0.8
269.04550	6.3
270.01425	0.7
271.02585	2.3
271.06088	2.7
272.03168	1.3
273.03995	1.9
281.04672	1.7
283.02484	1.4
285.04044	3.0
286.04529	1.0
295.02582	0.9
297.04044	11.5
298.04462	1.3
299.02167	1.6
299.05579	8.6
300.02750	19.1
300.06128	1.5
301.03488	9.4
302.03647	0.9
312.02698	1.1
313.03522	14.3
314.04248	4.2
315.05124	6.6
316.05490	0.9
325.03586	4.3
327.05145	1.4
329.06702	1.4
341.34323	0.9
343.04565	100.0
344.04901	11.7
355.04581	2.2
356.04886	0.9
373.05649	19.4
374.05933	2.7
385.05661	1.9
392.15344	0.8
403.19659	3.4
409.05585	1.8
417.08295	0.9
445.07675	5.1
446.08423	1.2
463.08795	48.6
464.09091	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22560	0.4
59.01258	2.2
59.21420	0.3
63.02261	0.7
65.00201	2.0
71.01247	1.8
71.28709	0.5
73.02824	0.4
83.01249	1.3
84.93111	0.3
85.02822	0.6
89.02310	1.5
89.14708	0.3
91.01729	0.4
93.03378	0.4
99.00787	0.5
101.02325	1.3
107.01268	4.4
108.02072	2.5
109.02831	2.2
119.01256	0.6
121.02840	2.9
124.01572	0.5
125.02321	0.5
131.03334	0.4
135.00772	1.3
137.02295	0.4
139.03903	0.4
147.00797	0.4
148.01535	2.3
149.02286	0.7
149.04454	0.9
151.00275	13.1
159.04399	0.7
161.04433	0.4
163.00296	3.8
163.03693	0.3
164.01077	0.7
165.01831	0.3
169.01334	0.5
171.04410	0.4
174.03038	0.4
178.99785	5.7
180.00131	0.5
183.04420	0.9
187.03957	0.8
188.04436	0.4
190.99837	0.5
192.00589	0.7
193.01352	0.4
199.03917	1.4
201.01851	0.8
201.05486	0.6
203.03490	0.7
209.11797	1.9
211.03882	2.1
213.01863	0.4
215.03429	1.3
216.04210	0.8
226.02661	2.8
227.03481	4.9
227.12787	0.7
228.03897	0.5
229.04973	1.0
239.03535	0.5
242.02252	0.4
243.02962	19.0
244.03448	1.7
245.04521	1.9
254.02234	3.5
255.02969	35.0
256.03278	3.2
271.02478	83.5
272.02893	8.6
273.04031	1.2
283.02374	1.7
299.01962	2.4
300.02737	100.0
301.03470	60.2
302.03818	5.0
319.61011	0.4
331.17859	0.4
343.04465	0.7
463.08823	83.9
464.09155	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37012	1.0
59.01245	9.2
61.68144	0.9
61.98692	3.8
65.00182	2.8
69.03320	0.8
69.38753	2.9
69.39179	3.9
71.01244	5.8
72.99176	1.2
75.00747	51.0
79.01754	1.2
81.03335	1.9
83.01260	3.0
85.02826	1.2
87.00751	1.3
89.02332	5.1
93.03330	1.3
95.01257	1.3
97.02841	2.5
98.19800	1.5
99.04414	1.0
101.02323	5.0
105.03358	1.3
107.01279	2.3
108.02021	1.2
109.02850	6.0
109.99973	1.0
111.00768	1.6
113.02325	2.4
119.03388	1.7
119.04905	1.5
121.02856	5.2
123.04389	1.7
124.01513	1.1
125.02336	5.4
131.03415	0.9
133.02841	8.5
134.03574	1.2
135.00771	2.0
135.04416	1.9
136.01563	0.9
136.98718	1.4
137.02350	5.8
139.03911	1.4
147.04485	1.4
149.02357	8.3
150.03069	1.9
150.53285	0.8
150.54738	0.8
151.00310	4.8
151.03943	4.1
153.01793	4.6
159.04376	1.0
161.02348	2.5
161.04459	1.4
163.00258	4.7
163.03957	2.1
164.01038	2.0
165.01868	8.9
167.03374	2.6
173.02274	1.0
175.03842	1.1
176.01009	0.9
177.01857	4.3
178.99826	0.9
179.03413	6.4
179.05505	2.1
181.01274	0.9
186.43677	0.8
187.04008	1.4
189.01883	2.0
189.05515	1.1
190.99802	1.0
191.03441	3.2
193.01387	7.3
193.05023	1.5
199.03981	1.4
201.01852	2.3
201.05412	1.2
203.03438	1.3
205.01340	3.0
206.02138	1.2
207.02933	10.0
209.11768	14.7
209.13562	1.6
212.04617	1.1
213.05411	2.3
214.06023	1.0
215.03439	2.6
216.04141	1.0
219.02866	1.2
219.89008	0.8
221.00854	1.7
223.02515	1.7
225.05531	1.0
227.03435	2.0
227.07025	1.0
227.12881	6.1
228.04185	1.2
228.94638	0.9
229.04980	1.7
233.00749	1.3
235.02377	2.3
237.03893	1.6
241.04987	2.9
241.14574	0.9
243.02979	2.2
243.06656	1.3
253.05042	1.8
253.09285	3.1
255.02982	2.3
256.03809	2.5
257.04489	2.7
258.01559	1.5
259.02338	1.2
269.04614	6.0
271.02429	2.9
271.06110	2.5
272.03131	2.5
273.04083	1.3
281.04550	1.6
283.02576	1.9
283.10825	1.4
285.03925	3.7
287.05191	1.0
297.03964	5.4
298.01141	3.5
298.04349	1.6
299.02298	1.5
299.05490	6.7
300.02731	21.3
300.06036	1.6
301.03445	11.0
308.54584	1.0
313.03577	11.0
314.04346	5.2
315.05051	8.3
316.05432	1.0
325.03467	3.3
327.04974	2.1
329.06674	2.2
341.03012	0.9
343.04562	76.1
344.04855	9.2
345.06058	0.9
355.04626	3.6
356.04733	1.1
357.06024	1.8
373.05609	29.7
374.06024	3.1
385.05615	3.4
403.06573	7.4
403.19717	1.6
419.10318	0.9
445.07803	8.6
446.08179	1.4
463.08798	100.0
464.09030	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72779	0.4
56.19989	0.4
59.01249	4.3
61.98705	100.0
69.18111	1.3
69.18534	2.1
71.01270	1.1
72.65888	0.3
76.82859	0.3
78.95778	10.5
78.96220	0.6
84.40083	0.3
85.02815	0.5
89.02339	0.5
92.55292	0.3
95.31245	0.3
96.96856	0.9
98.20585	0.6
101.02356	0.5
119.45425	0.3
152.99500	6.7
171.00539	3.1
171.10239	0.3
199.13361	1.1
207.10245	0.6
208.10590	0.8
209.11835	1.4
225.11337	0.6
226.11746	0.9
227.12854	5.4
253.09380	1.0
270.01959	0.4
272.03345	0.7
329.23315	0.7
345.20743	0.4
346.21289	0.3
394.31476	0.3
418.26935	0.4
462.20590	0.9
463.09131	1.2
463.21194	5.6
463.28467	0.5
463.30136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.8
59.01253	19.6
61.98705	100.0
71.01260	2.8
71.51981	1.0
73.02837	0.9
76.05634	0.9
78.95774	5.8
89.02328	1.2
91.03902	2.3
96.69532	0.8
97.06494	0.9
99.07988	0.9
101.02298	1.8
113.02338	1.3
139.11166	2.3
150.61703	0.8
152.99518	6.2
154.36749	0.9
171.10228	4.8
199.13368	6.5
202.52512	0.8
207.10332	1.1
209.11745	4.7
211.13287	1.6
226.11700	1.2
227.12849	20.5
244.67938	0.8
253.09256	2.9
272.03333	1.2
283.02600	1.2
311.22223	1.8
329.23331	19.7
329.27197	1.3
343.04443	1.6
402.19186	2.5
462.20779	5.4
462.29037	2.1
463.08749	1.7
463.21362	7.0
463.30359	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.6
59.01249	100.0
61.98707	8.6
66.01283	2.2
69.03329	2.2
70.92516	5.1
71.01250	23.5
72.99177	5.7
73.02822	10.8
75.74539	2.1
78.95763	3.6
79.95628	2.8
83.04871	2.3
85.02819	18.1
87.00766	4.8
89.02319	19.0
90.99459	1.8
91.03876	10.5
97.02836	2.6
99.00752	2.8
101.02318	24.1
101.02937	3.1
103.03896	4.7
109.02839	13.9
109.06536	2.5
113.02325	8.5
119.03409	9.3
131.03415	5.1
133.04001	2.1
137.02350	2.8
137.09645	2.9
143.03384	4.5
152.99516	4.3
153.01837	9.6
161.04488	2.1
163.06027	13.1
163.11099	3.2
171.10152	28.0
172.10587	2.2
175.02396	4.8
179.03456	3.5
195.17320	2.7
205.07101	8.6
207.10165	18.1
211.13423	2.2
225.11287	18.0
225.14844	3.0
239.16484	6.6
285.03882	4.0
309.20700	5.7
327.21732	64.5
328.21906	4.5
401.21451	3.0
419.22852	2.7
443.28131	2.2
461.12735	13.2
461.19174	4.9
461.24020	8.6
461.29590	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	462.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24191	0.3
59.01252	2.6
61.98701	100.0
65.87771	0.3
70.85090	0.8
71.01259	0.4
84.52018	0.3
88.94466	0.4
89.02322	0.5
104.07569	0.3
113.02290	0.4
119.03403	0.4
127.39354	0.3
137.02312	0.4
149.32690	0.4
150.54889	0.3
151.03912	0.5
179.03491	0.7
180.03775	0.6
191.75470	0.4
271.89108	0.3
273.57834	0.4
274.85883	0.3
286.22668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17491	1.7
57.68661	1.6
59.01250	100.0
60.01587	2.3
61.98705	15.8
71.01249	3.7
71.52068	2.1
78.33719	1.6
83.01213	1.7
83.66878	1.5
85.02824	2.9
89.02322	3.8
91.03881	2.4
95.33217	1.5
97.02818	3.9
99.00755	2.5
101.02322	4.3
109.06475	18.5
113.02316	1.8
121.02863	9.8
125.09634	2.3
129.09100	8.8
141.09131	7.7
152.40106	1.5
152.99510	5.9
155.10675	6.7
158.37550	1.4
163.11176	9.5
172.32352	1.6
175.00296	1.8
179.03333	2.2
181.12286	3.8
185.11761	26.5
192.03227	1.5
197.11761	21.4
198.12100	1.6
204.13943	1.8
207.10211	47.8
208.10524	3.2
209.04408	1.9
209.11804	5.3
225.11281	38.6
226.11653	2.4
247.20499	2.0
253.09270	8.1
270.57364	1.5
273.79437	1.7
291.19653	20.0
309.20721	35.2
310.20999	3.4
327.21753	62.8
328.22034	8.2
329.07016	1.5
372.36746	1.7
383.24374	5.4
417.08002	5.3
461.20230	26.1
461.29657	2.3
462.20071	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26813	1.2
57.03308	1.7
57.18739	1.3
57.37793	1.4
58.00481	2.1
59.01252	100.0
60.01588	1.7
61.98708	3.8
69.03304	1.6
71.01246	10.8
71.52087	1.2
71.52520	1.7
73.02821	5.1
78.95778	1.2
83.01238	2.5
85.02816	13.5
87.00721	1.2
89.02319	6.7
91.03880	13.4
93.03333	3.7
95.01269	1.4
97.02834	3.2
97.50099	1.2
99.00760	2.3
101.02319	8.9
102.21379	1.1
109.02824	1.5
109.06480	2.4
113.02333	4.6
119.03365	1.7
123.00742	2.6
124.01575	3.3
125.02340	11.5
131.03409	2.2
135.04411	6.3
135.08134	1.2
137.02321	7.8
137.09621	2.8
143.03322	1.8
144.09171	1.3
149.99501	5.8
163.06067	2.7
163.11166	2.4
164.04648	2.2
168.00548	8.2
171.10181	20.7
172.10532	1.8
179.03461	6.6
179.10753	1.6
195.17393	2.1
197.11710	3.3
205.07130	2.2
207.10245	6.5
211.13319	5.4
225.11269	5.7
229.14458	3.3
239.12714	2.2
239.16508	3.9
253.09251	1.6
281.06644	1.5
282.06635	1.4
285.04144	3.6
291.19699	1.6
309.20706	8.7
327.21762	74.2
328.22049	9.2
426.52502	1.4
461.11270	12.6
461.24496	6.7
462.11224	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52753	0.7
55.01741	1.2
57.03319	1.8
59.01252	71.3
60.01607	0.8
61.23301	0.8
71.01250	22.5
71.52307	1.4
72.99190	1.8
73.02817	6.5
75.00756	1.5
83.01268	2.4
83.04898	1.2
85.02831	9.8
87.00744	4.0
89.02316	9.7
93.03334	6.9
95.01253	2.7
97.02840	1.0
99.00773	2.8
101.02332	15.4
105.78838	0.8
108.88126	0.9
109.06477	3.2
111.00764	0.9
113.02335	8.6
119.03397	3.9
129.01842	1.4
131.74692	0.8
133.02861	1.4
135.04388	1.4
135.57413	0.8
137.02348	14.4
138.02698	1.0
161.02415	2.4
161.04440	4.5
163.11218	1.3
179.03444	2.9
179.05534	1.0
207.10188	10.1
218.49525	0.9
225.11276	6.2
248.79185	1.0
253.09367	2.5
255.02945	7.3
256.03519	1.4
267.06909	1.0
269.04541	2.0
283.02469	4.7
284.03110	5.0
285.04126	2.9
297.03986	5.8
298.04810	6.2
299.05426	8.3
323.07761	2.5
375.09253	1.5
401.22006	3.2
443.22910	6.1
461.11005	8.4
461.24020	100.0
462.11295	1.7
462.24350	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09787	0.6
57.03287	1.1
59.01205	3.8
61.98626	0.7
69.78947	1.2
69.79354	2.2
71.01206	1.2
75.00749	5.2
78.95776	33.5
89.02266	0.9
104.97352	1.1
109.06412	2.5
110.98415	25.4
134.04501	0.8
152.99452	2.4
163.11168	1.3
163.81512	0.7
166.99701	1.3
167.01067	24.3
167.10645	1.0
168.01381	0.7
179.03328	0.8
181.12202	0.9
185.02150	7.0
195.13835	13.0
196.14186	1.0
199.34953	0.7
205.12224	1.4
207.10222	8.7
211.13220	0.8
223.13361	9.8
225.11339	5.4
228.13582	1.8
253.09373	0.9
256.13095	2.7
265.21762	0.9
275.20111	6.5
293.21222	100.0
294.21555	11.1
392.16013	1.5
398.27179	0.7
461.23178	55.3
462.23508	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	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25936	0.4
57.81775	0.4
59.01235	0.8
60.46907	0.4
69.20671	2.2
69.21082	1.4
69.40582	0.4
78.95774	8.5
98.19806	0.7
100.65201	0.4
109.06466	0.7
110.98410	7.9
111.07967	0.6
134.29457	0.4
152.99445	0.9
155.47725	0.4
163.11130	0.4
163.63182	0.5
167.01071	3.3
179.14305	1.4
181.12260	0.6
185.02122	6.5
195.13857	9.0
196.14273	1.2
205.12244	1.3
205.15936	0.8
207.10110	2.2
209.82834	0.4
211.13196	0.6
223.13330	7.7
224.13898	0.6
225.11279	1.3
228.13602	0.9
231.21227	1.0
256.13101	2.1
275.20187	4.6
276.20444	0.8
293.21219	100.0
294.21542	11.4
306.56226	0.5
322.14587	0.4
370.08386	0.5
437.90085	0.5
461.23178	19.5
462.23532	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	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67809	0.3
57.03262	3.7
59.01190	3.3
59.01509	0.3
69.03280	0.3
70.40453	0.3
70.43335	0.6
70.43690	0.8
71.01180	0.3
78.95774	6.1
91.48546	0.3
97.06393	1.0
97.10570	0.3
109.05287	0.3
109.06392	1.1
110.98418	5.4
113.09610	17.3
114.09893	0.5
139.11206	1.9
141.09036	0.4
149.09573	0.6
152.99413	0.5
153.08871	0.2
167.01064	2.6
167.10701	2.4
171.10109	0.3
177.12724	1.1
179.10710	2.0
185.00653	0.4
185.02138	5.6
195.13855	2.5
196.14076	0.4
207.10213	1.8
225.11311	1.3
249.22226	2.0
275.20151	1.1
293.21228	100.0
294.21564	10.3
461.23239	10.7
462.23700	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	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	2.1
57.03497	1.6
59.01116	3.6
59.01450	1.7
69.53263	4.3
78.95628	15.5
78.96145	3.0
82.86480	0.7
97.02756	1.0
98.20500	1.6
109.06310	3.3
110.98252	12.6
113.09443	14.3
113.10298	1.1
125.09465	0.9
139.11018	2.1
152.99326	1.1
161.09557	0.8
163.11037	2.1
167.01068	16.2
167.10599	1.7
179.10559	1.8
185.01978	3.3
185.03456	0.8
185.11630	1.1
195.13742	2.9
202.83734	0.7
207.10208	12.1
208.10466	0.8
225.11272	6.5
249.22121	2.9
253.09175	2.5
293.21216	100.0
294.21506	11.7
319.88129	0.8
329.29010	0.8
341.03229	1.0
456.55652	0.8
461.23392	26.3
461.32825	3.8
461.42941	0.8
462.24020	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.1
58.00499	0.6
59.01249	11.8
61.79666	0.4
61.98709	0.4
68.99701	0.4
69.46664	2.9
71.01257	8.0
71.01615	0.6
71.04912	1.0
72.99221	1.1
73.02810	2.4
81.03361	0.7
83.01267	1.9
83.04922	0.9
85.02822	3.2
87.00772	1.2
89.02312	4.4
93.03362	0.9
95.01287	0.7
97.02828	7.1
97.06505	0.9
99.00757	11.0
100.01111	0.5
101.02322	6.2
102.36749	0.4
103.03871	0.5
107.04955	0.4
109.06502	2.9
110.03635	1.8
111.04411	0.6
113.02348	3.2
115.07582	1.3
119.03419	1.5
123.08072	0.4
125.02382	0.9
125.09629	3.2
133.04964	0.5
135.00815	0.5
135.04419	2.1
135.08124	0.7
136.05231	1.1
140.00009	0.3
142.02594	2.6
143.03470	0.7
145.04898	0.7
161.02374	0.9
161.04469	1.4
161.09705	0.7
163.00325	0.7
163.11211	8.8
179.03438	3.1
179.05458	0.5
179.10707	0.5
181.12271	15.5
182.12662	0.9
197.11717	0.9
199.11630	0.4
199.13307	1.9
207.10207	46.6
208.10530	3.1
220.33318	0.4
225.11279	100.0
226.11603	6.9
227.03355	0.8
227.12827	0.5
235.08205	3.1
243.12358	12.0
244.12726	0.9
253.09265	8.2
255.02995	1.3
281.17569	2.0
283.02505	4.9
284.03033	1.2
285.03983	2.2
297.04080	0.5
298.04660	0.5
299.14948	0.7
301.03708	0.5
317.15976	1.4
329.16202	0.4
361.04102	0.4
379.15988	0.8
379.85794	0.4
446.08289	0.5
461.11060	5.3
461.20087	47.8
462.11047	0.4
462.20367	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	4.2
59.00571	4.1
59.01252	34.2
59.88083	3.4
60.87854	4.1
71.01249	10.9
71.51975	5.0
72.99169	4.6
75.00747	55.0
77.67938	3.6
85.01920	4.0
85.02823	7.2
89.00474	3.8
89.02319	9.9
95.04941	5.2
95.86982	3.7
99.40398	4.3
101.02317	11.1
109.06422	5.3
113.02318	6.2
119.03375	6.1
125.02332	5.2
125.05979	6.9
129.01929	4.3
135.04372	9.0
137.02341	9.0
137.94714	4.3
147.25139	3.7
150.02983	3.3
151.03888	14.4
155.97745	4.0
161.04411	7.4
163.11183	11.5
179.03358	31.6
203.10713	7.3
207.10175	30.5
221.04477	13.4
221.11752	46.0
225.11263	100.0
226.11584	4.8
240.70688	4.5
247.93126	3.6
251.05843	3.8
253.09329	9.2
285.03912	7.0
285.27859	3.6
299.07864	8.3
341.06522	8.5
371.07678	4.1
401.18134	5.3
461.11038	14.1
461.20218	17.8
478.83389	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22446	0.3
54.34710	0.4
56.25668	0.4
56.52404	0.4
58.00469	0.6
59.01249	16.3
67.05400	0.5
69.03371	0.6
69.18898	0.9
69.19302	3.2
71.01257	8.1
72.99187	0.6
73.02830	1.1
78.95779	1.1
80.02555	1.1
81.03329	2.6
83.01241	0.9
83.04893	2.8
84.02038	1.2
85.02813	2.0
87.00742	1.0
89.02316	5.0
91.03884	0.6
95.04934	0.6
95.19603	0.4
97.02830	6.9
98.19739	0.9
99.00744	1.3
101.02322	7.1
106.04150	0.7
109.06474	29.5
110.03609	1.6
110.06789	0.9
110.98383	0.5
113.02345	2.6
119.03391	1.6
121.06465	1.8
123.04430	0.5
125.02404	0.4
125.09585	0.7
129.03357	0.4
135.08044	3.3
136.05199	1.2
136.08414	0.5
142.02629	3.2
143.03412	0.7
145.10072	0.9
146.77405	0.4
147.79187	0.4
150.40872	0.4
152.99480	1.1
160.95819	0.4
161.04482	2.1
161.09650	1.3
163.09821	0.9
163.11194	18.3
164.11569	1.0
176.33586	0.4
179.05519	0.9
179.10687	0.8
181.12260	5.8
189.09138	1.8
197.11839	0.5
207.10202	100.0
208.10555	7.4
209.11723	0.9
225.11270	60.3
226.11588	4.1
235.08084	0.7
235.16980	0.6
243.12341	1.2
253.09268	18.3
254.09772	0.6
273.93683	0.5
275.20032	0.9
279.23083	0.4
293.21237	2.7
299.15057	1.8
327.21616	1.2
443.19336	0.8
461.20255	53.2
462.20676	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01772	0.2
57.03328	1.2
59.01249	5.4
63.02268	0.7
63.82407	0.2
65.00202	0.4
67.01769	0.3
68.99689	0.5
69.35509	1.4
69.35921	0.4
71.01254	6.8
72.99169	1.0
73.02824	0.7
75.00739	2.6
83.01264	1.1
85.02823	9.1
87.00745	1.8
89.02300	0.7
91.01757	0.5
93.03335	2.8
95.01260	2.5
99.00755	3.4
101.02313	0.4
103.00246	1.6
107.01258	2.2
108.02080	0.4
109.02829	1.0
111.00744	0.3
113.02333	13.9
114.02684	0.4
115.00285	1.2
117.01843	1.2
117.03349	0.4
121.02826	0.2
129.01819	1.0
131.04948	0.4
133.06485	0.2
135.00797	1.3
135.04410	2.8
137.02354	1.7
143.04962	1.5
145.02811	0.6
145.06482	0.3
151.00266	1.7
151.03906	0.9
153.01845	0.5
154.04124	0.3
155.04904	0.3
156.05724	0.2
157.06473	1.1
158.03609	0.2
159.04430	1.6
161.02338	0.5
163.00313	1.7
165.01857	0.6
167.04926	0.8
169.06485	1.3
171.04407	0.9
173.02290	0.3
173.05983	0.4
175.02409	3.2
179.01865	0.3
179.03433	4.3
180.81906	0.2
182.03763	0.3
183.04469	0.5
184.05219	0.4
185.06015	3.0
187.03951	3.9
189.05544	1.3
192.00656	0.4
195.04440	0.8
196.05177	0.4
197.05994	0.9
199.03896	1.1
201.05531	0.9
207.10175	0.3
208.10416	0.2
209.04395	0.3
211.03961	2.0
213.05533	2.5
214.02664	0.4
215.03488	0.6
223.03876	0.3
225.11320	1.6
227.03476	3.1
229.05022	12.5
230.05386	0.8
239.03471	1.4
240.04269	0.6
241.05005	2.1
243.03046	0.4
253.09502	0.3
255.02974	1.8
256.03714	1.1
257.04529	7.2
258.04535	0.5
267.02997	0.9
268.03421	0.2
281.06647	0.7
284.03305	0.4
285.04034	100.0
286.04401	9.1
299.07706	1.2
341.06818	0.5
461.07016	2.9
461.20023	0.3
462.07483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0727
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03327	0.3
58.00466	0.1
59.01247	2.1
65.00192	0.6
67.01765	1.0
68.99688	0.3
69.41858	0.9
71.00648	0.1
71.01253	2.4
72.99184	0.8
73.02817	0.4
75.00750	0.9
83.40574	0.1
85.02819	3.0
87.00765	1.0
89.02315	0.4
93.03326	0.5
95.01264	1.5
97.02829	0.4
99.00755	1.2
101.02339	0.2
103.00247	0.5
109.02853	0.2
109.99937	0.3
111.00767	0.5
113.02329	5.9
114.02616	0.1
115.00256	0.4
115.88235	0.1
117.01877	0.5
117.03338	1.7
119.04939	0.7
121.02847	0.1
123.00770	0.5
129.01797	0.3
130.04279	0.1
131.04906	0.2
133.01294	0.1
133.02855	0.3
135.00797	0.2
136.98715	0.6
137.02335	1.1
139.00291	0.6
143.04947	1.0
145.02853	2.1
147.00734	0.2
147.04422	0.2
150.73262	0.1
155.04955	0.2
157.01280	0.2
157.06488	0.6
159.04448	0.3
161.02368	0.3
163.00308	1.0
164.01007	0.3
164.98227	0.2
165.01854	0.6
165.98962	0.3
166.99791	0.6
167.04922	0.4
168.05542	0.1
169.06535	0.9
171.04417	1.8
173.06023	0.2
175.02408	2.1
175.03920	0.1
179.03442	0.1
183.04433	0.3
184.05235	0.2
185.06001	2.6
186.06358	0.1
187.03932	4.3
188.04341	0.3
189.05499	0.6
190.99806	0.5
192.00591	0.9
195.04436	0.3
196.05043	0.2
197.06009	0.8
199.03883	0.6
200.04547	0.2
201.05508	0.4
207.10213	0.2
211.03955	1.0
212.04649	0.1
213.05513	6.8
214.05885	0.4
215.03410	1.5
217.04991	0.5
223.03987	0.2
225.11214	0.2
227.03488	0.2
229.04988	2.0
233.04527	0.2
239.03485	1.3
240.04277	0.7
241.05028	3.1
242.05347	0.3
243.02977	0.2
255.02986	0.9
256.03622	0.5
257.04544	1.6
267.02991	0.4
268.03632	0.2
269.04135	0.1
283.02512	1.4
284.03262	2.6
285.04028	100.0
286.04379	7.9
375.09070	0.4
399.07254	0.5
422.07224	0.1
461.07224	12.2
461.24008	0.5
462.07623	1.6
462.24185	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	460.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12236	0.4
57.98298	0.5
59.01256	2.8
61.98725	0.7
65.78069	0.5
69.88972	1.0
69.89381	1.4
71.01273	2.0
80.81403	0.4
81.20808	0.5
84.36247	0.5
89.02331	0.7
98.19897	0.6
101.02367	0.5
105.03346	0.6
111.04420	0.6
114.83910	0.4
119.03471	0.6
120.01135	6.8
123.04413	1.2
137.02338	0.6
139.02141	1.0
139.99318	0.6
143.04536	0.6
147.04523	0.6
151.02145	1.8
154.98004	1.7
155.98325	0.4
156.84622	0.5
161.02333	4.2
161.04449	0.5
162.03102	1.6
163.03978	1.8
163.51999	0.5
164.04704	74.7
165.05045	3.1
167.03435	3.7
170.00381	2.5
177.00124	1.0
177.05492	1.8
179.01674	1.8
179.07059	100.0
179.98787	9.3
180.07402	5.9
180.99579	19.7
181.03125	3.1
182.00009	0.8
194.00360	0.8
195.01144	17.9
196.01924	27.2
197.02267	1.6
207.10228	1.2
209.02689	0.9
210.03455	1.5
211.04282	34.9
212.04617	2.2
224.10051	0.7
225.11333	2.1
253.09003	0.7
287.01843	0.7
298.07544	9.3
299.07864	1.0
338.98096	0.5
341.12393	30.7
342.12640	2.4
358.07150	2.0
373.09592	11.3
374.10379	0.7
460.13144	1.2
461.07303	0.9
461.13037	2.1
461.19800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2907
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.75948	1.0
85.64890	0.5
107.04913	26.2
108.05257	1.4
151.12614	0.6
163.11200	100.0
164.11530	6.3
172.59912	0.5
238.10013	0.7
283.17044	23.2
284.17456	2.2
295.17035	13.7
296.17392	1.2
459.29056	81.7
460.29416	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	460.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58844	0.5
59.01263	0.7
66.96391	0.6
70.66645	1.5
70.66995	1.0
87.70895	0.6
91.37017	0.5
109.02810	0.9
117.53603	0.6
125.02339	1.1
151.00241	2.1
161.02353	1.7
163.00276	0.8
165.01828	0.8
168.31424	0.6
171.04491	0.6
177.96637	0.6
179.03349	1.3
184.13368	0.6
188.04733	2.0
190.99747	0.8
201.01871	0.7
203.03404	1.6
213.05542	0.8
214.01352	1.1
215.03424	2.1
216.04218	1.4
221.33185	0.6
227.03386	1.9
229.01283	3.8
230.02148	1.6
230.04518	0.7
231.02997	1.4
241.01299	0.8
242.02246	2.1
243.02911	8.8
244.03763	9.3
245.04201	0.8
255.02954	2.1
256.03903	3.2
257.00940	1.9
257.04523	3.8
258.01697	9.3
258.04474	1.1
259.02454	18.2
269.04541	0.9
270.01685	2.1
271.02478	25.7
272.03238	53.9
273.03754	6.0
283.02353	4.6
284.03198	2.4
285.00421	18.0
285.04025	11.1
286.00861	1.7
286.04453	0.7
287.01971	100.0
288.02344	10.5
297.02737	4.3
298.03632	9.4
299.01962	3.8
299.07889	0.7
300.02725	12.4
301.03494	14.6
302.04044	2.0
303.04559	0.8
304.02249	6.1
310.03540	8.4
311.04501	8.7
312.05249	1.0
313.03510	10.7
315.05234	1.8
316.02112	0.7
324.05252	1.7
325.03589	2.3
326.03610	0.9
329.02945	1.2
330.03745	7.8
331.04541	5.3
337.02127	0.9
340.04596	45.3
341.05063	4.2
343.04581	6.7
344.04956	0.9
352.04642	2.4
370.05673	38.4
371.05930	3.9
382.05640	1.4
400.06863	1.0
402.05786	1.7
420.06985	44.5
421.07220	5.3
424.88266	0.6
442.07797	5.9
443.08157	1.5
460.08865	61.7
461.09216	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	0.7
61.82929	0.7
61.98687	0.8
65.97190	0.6
69.03374	0.8
71.01257	1.7
71.04916	0.7
75.00768	2.1
78.95779	0.6
83.24747	0.6
89.02305	1.4
91.03897	2.6
109.06488	2.9
121.02845	75.5
122.03184	3.6
127.07498	0.9
173.09521	0.7
180.05841	0.7
181.06506	4.7
195.06900	0.7
196.35126	0.7
197.11818	3.6
209.11850	1.5
211.13411	3.1
223.13414	1.5
225.05493	6.0
235.13318	0.9
249.78885	0.7
275.00510	0.7
289.18048	1.1
307.19235	3.0
311.40491	0.7
313.07193	14.7
314.07547	1.2
325.20157	17.5
326.20355	1.3
357.06158	4.3
361.17947	0.7
399.23892	1.0
401.08746	45.1
402.09042	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03332	0.5
58.00480	0.2
59.01251	100.0
60.01584	1.6
69.03339	0.3
70.71084	0.2
71.00455	0.5
71.01256	6.9
72.99194	0.3
73.02819	2.0
73.07114	0.2
75.04982	0.2
77.88558	0.1
83.01264	1.0
85.02824	3.4
87.00762	0.3
87.04403	0.6
89.02326	1.5
95.01292	0.7
99.00760	1.1
99.17822	0.2
101.02322	3.3
111.53496	0.2
113.02332	6.0
119.03391	0.5
125.02355	0.2
136.12398	0.2
143.03404	0.2
159.02904	0.4
161.04468	3.2
173.88226	0.2
223.13432	0.5
255.19618	0.4
293.74231	0.2
325.20209	0.2
399.23877	5.0
399.28897	0.4
400.24188	0.8
417.24997	2.3
418.25394	0.2
459.22095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98696	1.5
69.18412	12.6
71.01244	3.8
77.32351	1.2
85.02834	1.4
89.02316	2.1
90.16312	1.3
98.19833	2.6
101.02339	1.9
113.02310	1.4
125.09584	2.1
127.07538	6.9
136.60422	1.3
139.07526	2.1
153.09108	5.1
171.10149	2.7
185.11732	4.3
197.11739	2.1
209.11774	15.5
223.13353	5.0
233.79016	1.3
238.12085	1.6
253.09189	1.6
289.17932	6.5
307.19119	35.7
308.19495	3.2
312.15729	9.0
325.20172	24.0
326.20575	2.0
381.22601	3.5
399.23862	3.8
412.00900	1.4
436.99475	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83159	0.4
59.01252	100.0
60.01590	1.2
61.98711	2.5
71.01255	7.6
71.01619	0.6
73.02828	1.5
73.11031	0.4
85.02828	2.5
89.02316	6.2
89.02824	0.4
95.01275	0.8
99.00750	0.8
101.02329	5.7
101.02923	0.5
113.02316	3.5
119.03375	2.5
128.03426	0.4
143.03455	1.0
149.04456	0.7
156.99516	0.3
159.02913	0.5
161.04468	4.3
179.05598	1.2
195.13840	0.5
205.12422	0.8
223.13339	6.5
224.13745	0.5
253.09413	0.7
399.23849	1.9
481.84467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60906	0.5
50.72160	0.5
55.01743	0.7
57.03317	1.3
58.00477	0.9
59.01250	100.0
60.01590	1.1
60.09809	0.5
61.98707	5.7
69.03313	1.6
71.01251	12.2
71.52825	0.6
72.99174	0.8
73.02810	1.3
83.04874	0.7
83.53027	0.5
85.02821	2.2
87.00762	1.4
87.53902	0.5
89.02315	12.8
90.02615	0.5
95.01275	0.7
97.02872	0.7
99.00749	0.7
101.02320	8.2
108.27402	0.6
113.02334	5.8
118.62371	0.5
119.03384	7.2
119.60667	0.5
134.39330	0.5
137.02271	0.5
143.03404	1.4
144.72810	0.6
149.04413	1.2
149.09685	0.8
161.04451	4.2
165.36380	0.6
167.10609	2.6
179.05544	3.2
179.10602	0.9
179.14285	2.6
186.15968	0.5
195.13864	6.6
205.12257	7.4
223.13339	76.6
224.13713	4.6
235.08282	0.7
253.09247	14.0
254.09619	0.6
273.59250	0.6
385.24323	0.6
399.23972	3.7
459.22440	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05521	0.3
55.01764	0.4
57.03314	0.7
59.01252	29.1
61.98707	0.7
69.03333	2.2
70.25282	0.3
70.25629	0.9
71.01257	4.7
71.04883	0.8
72.99168	0.5
73.02812	0.9
76.00073	0.2
83.01263	0.8
83.04884	0.5
85.02811	1.2
85.06479	0.8
87.00757	0.6
89.02314	4.8
93.18776	0.3
95.01259	0.4
97.02842	0.5
97.06498	0.3
99.00754	0.4
101.02326	4.6
107.04900	0.3
109.06452	0.4
113.02335	1.9
119.03393	1.5
125.09552	0.3
127.03862	0.3
135.11739	0.3
139.96083	0.3
143.03433	0.7
149.09595	0.6
161.04465	2.4
162.61142	0.3
167.10666	2.8
177.12759	0.7
179.05521	0.6
179.10687	1.1
179.14342	3.3
195.13847	9.9
196.14111	0.6
205.12279	8.6
206.12666	0.8
221.26349	0.3
223.13353	100.0
224.13695	7.2
231.68930	0.3
235.08322	0.7
253.09267	19.2
254.09682	1.1
325.20261	0.9
359.07242	0.3
399.23914	0.6
401.08365	0.3
429.83298	0.3
459.22360	3.6
460.22867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	7.0
63.21507	2.2
71.01258	4.3
89.02325	4.2
101.02305	2.9
109.63258	2.2
114.86854	2.3
119.03397	2.2
179.05522	6.9
277.21716	100.0
278.22131	11.9
457.35999	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	459.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.0
62.49823	1.1
71.01256	2.5
71.52200	1.4
72.97404	22.3
87.00750	100.0
101.02327	1.7
137.02251	1.2
144.53375	1.4
161.02364	1.9
164.04695	24.6
178.97986	2.5
179.05476	2.6
179.07065	53.4
179.98711	2.4
180.07414	2.8
180.99544	2.0
194.00362	14.8
195.01178	7.3
196.01949	4.1
209.02747	30.5
210.03244	2.8
211.04251	4.6
223.09636	1.7
225.05820	1.6
298.03680	1.6
340.04898	1.7
341.12424	19.5
342.12704	2.4
373.09592	5.2
459.09619	2.7
461.66772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
59.71867	1.6
67.67061	1.7
71.51534	2.2
73.02815	41.9
73.58689	1.6
79.00422	1.6
99.00760	6.0
109.02821	2.4
116.92702	1.7
117.01826	100.0
118.02175	2.6
118.04969	3.3
129.55211	1.8
138.09567	1.9
144.99710	2.0
165.25244	1.7
167.77032	1.9
267.64572	1.9
281.31967	2.3
423.01105	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
57.03318	0.7
58.00471	0.3
59.01250	7.8
61.85785	0.2
67.91189	0.1
69.03324	2.4
69.17125	1.3
69.17536	0.4
71.01252	4.2
71.04887	0.7
73.02824	0.8
83.01238	0.3
83.04893	0.5
83.56046	0.2
85.02809	1.0
85.06468	0.5
87.00756	0.6
89.02318	4.4
93.03313	0.3
95.01270	0.4
95.04890	0.5
97.06408	0.3
98.20551	0.5
99.00793	0.3
101.02324	4.3
109.06444	0.7
113.02327	2.0
119.03389	0.9
119.75191	0.2
125.09628	0.3
127.93504	0.2
131.03404	0.2
133.04970	0.2
135.11655	0.4
143.03343	0.3
149.04427	0.3
149.09604	0.5
161.04410	1.3
161.13258	0.3
167.10687	3.3
177.12788	0.5
179.05530	0.5
179.10741	1.2
179.14326	3.7
187.11169	0.2
195.13841	10.7
196.14214	0.6
205.12283	9.4
206.12604	0.6
223.13348	100.0
224.13695	6.9
235.08171	0.5
238.23582	0.2
253.09262	16.7
254.09677	0.9
273.66583	0.2
341.39435	0.2
459.22263	3.6
460.22705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
56.30666	0.4
57.03321	0.6
58.00465	0.7
59.01251	100.0
60.01595	1.4
61.98708	1.2
69.03337	1.2
70.21003	1.4
71.01255	22.7
72.99184	1.5
73.02819	15.9
75.00742	0.6
78.95760	0.6
81.03351	0.7
83.01257	5.7
83.95251	0.4
85.02826	5.2
87.00758	1.2
89.02325	12.2
95.01288	1.1
95.48687	0.4
98.20499	0.6
99.00777	0.7
101.02322	17.6
113.02332	13.1
119.03410	4.4
123.04689	0.4
125.02319	0.8
131.03433	2.1
143.03452	2.0
149.04472	0.9
155.03589	0.7
161.04506	3.0
168.73364	0.4
179.05553	0.9
221.06865	0.6
397.22928	0.7
441.75323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.6
57.03306	0.8
59.01241	2.8
71.01254	100.0
72.01583	1.6
72.99181	12.6
73.02852	0.7
76.27859	0.6
77.26324	0.6
85.02829	2.6
87.00740	1.4
89.02358	0.6
96.99187	1.1
97.06449	0.9
98.19697	1.4
115.00257	12.3
118.25137	0.6
125.09610	1.4
128.93712	0.7
129.01878	1.1
171.10284	0.8
192.70822	0.7
211.13374	1.6
291.19702	2.0
309.20734	7.3
310.21149	0.9
311.22308	2.7
379.47845	0.8
411.51224	0.7
439.23511	4.2
440.23798	0.9
456.59528	0.7
457.24750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.1
61.98690	0.6
71.01253	100.0
72.01586	1.8
72.99182	11.4
73.02821	0.5
75.00748	0.8
83.01236	0.5
85.02809	0.8
87.00751	1.8
91.03910	0.7
93.76026	0.4
94.76708	0.5
96.99195	0.7
97.06474	0.8
98.19774	1.3
106.35604	0.4
111.00807	0.7
111.32935	0.4
115.00255	12.2
125.09608	1.4
125.97249	0.5
137.09602	0.6
142.12225	0.4
171.10187	1.0
193.12309	0.8
197.11797	0.5
211.13455	2.4
229.55774	0.5
291.19672	2.0
293.21310	1.4
309.20676	4.9
311.22284	9.0
312.22751	0.8
325.28885	0.5
348.17172	0.5
406.74054	0.5
439.23245	4.0
440.23813	0.8
457.24280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
54.07842	0.8
55.01743	0.9
59.01249	100.0
60.01573	1.2
63.81229	1.0
71.01252	11.4
71.51948	1.3
72.99166	1.8
73.02807	4.5
83.01249	3.3
85.02824	6.7
87.00740	1.4
89.02320	3.9
97.02837	1.1
99.00769	1.9
101.02325	8.2
103.03895	1.5
105.87115	0.8
109.02826	1.6
109.08949	0.8
113.02356	4.2
119.03408	1.3
124.01590	1.1
125.02335	1.9
127.03890	1.3
143.03391	1.2
159.02832	1.2
161.04501	4.8
167.03442	1.9
195.02943	0.9
251.09308	2.7
269.10281	9.8
297.64688	0.9
397.15088	3.1
415.16064	11.2
416.16940	1.4
457.12708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42628	0.3
68.39851	0.3
73.72340	0.4
79.62800	0.4
97.01806	0.3
99.92455	5.4
100.92542	0.6
100.93214	2.8
115.91963	100.0
116.91968	5.4
116.92757	6.3
132.92241	1.4
160.22865	0.3
165.43953	0.4
172.95398	5.3
221.77625	0.3
279.13885	0.4
283.26340	0.6
383.19098	0.5
409.20325	1.0
457.22528	3.8
458.22934	0.9
481.18686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70444	0.6
55.01749	1.9
58.00457	2.7
58.29207	0.6
59.01251	73.2
60.01585	1.1
69.03326	6.4
71.01254	74.9
71.29400	1.1
72.01582	1.0
72.99179	3.6
73.02824	10.0
75.00761	3.6
81.03320	4.6
83.01252	5.2
83.35930	0.7
85.02820	9.1
87.00756	1.0
89.02317	100.0
90.02651	1.8
95.01256	4.1
97.02834	11.3
99.00756	15.4
99.04416	2.2
101.02320	15.4
107.01264	1.1
111.00743	2.0
113.02328	7.1
115.03895	7.8
119.03389	1.6
125.02336	42.8
126.02666	1.5
127.03916	2.1
131.03387	9.5
143.03400	3.9
147.04482	0.7
148.05202	57.4
149.04462	11.8
149.05609	3.9
161.04459	2.0
163.03882	2.3
163.07559	15.4
175.06102	0.8
191.05539	7.8
233.06627	37.4
234.06984	2.1
293.08798	24.8
294.09192	1.8
415.81705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52425	8.9
51.63222	9.4
52.92280	9.7
56.00576	9.0
69.91090	34.0
71.01227	12.2
72.67308	9.1
81.03329	11.5
83.01263	14.9
95.01275	10.6
97.02815	20.4
99.04389	22.0
107.01279	21.8
109.02831	50.7
119.04901	33.3
123.00756	11.2
125.02337	100.0
137.02319	24.8
141.01830	16.1
149.02295	12.5
151.00246	40.2
151.03917	11.2
153.01866	13.8
161.02364	21.7
163.00261	13.4
163.03926	19.5
165.01852	26.2
167.03387	94.8
167.69463	8.6
183.02911	15.5
190.46971	8.1
191.03465	22.3
193.01410	62.9
197.04482	14.2
203.03590	14.6
205.01306	9.3
219.02971	19.9
229.04970	11.8
245.04544	17.3
247.02516	14.8
301.03537	31.2
303.04630	10.5
313.05698	17.1
319.04428	49.1
331.04877	13.4
337.05621	28.5
349.05539	10.7
367.06601	15.6
411.09290	9.3
421.07617	15.0
439.08871	13.0
440.85120	10.6
457.09393	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
71.01248	1.5
71.31532	0.7
72.99182	0.4
73.02812	0.6
80.18050	0.4
81.77077	0.4
85.02828	0.7
89.02294	0.4
93.03316	0.7
95.01254	0.4
99.00781	1.4
101.02279	0.9
117.03358	0.6
119.04916	100.0
120.05251	4.4
133.06512	0.6
163.03923	46.6
164.04266	2.7
171.29903	0.5
184.04428	0.6
205.05066	1.0
434.93390	0.5
457.13498	44.5
458.07834	0.7
458.13785	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	455.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84016	1.9
59.01258	4.5
65.22187	2.2
71.51827	2.5
78.46892	2.4
78.95785	2.6
80.40570	2.0
109.06469	6.2
131.57652	2.1
141.40663	2.2
161.53291	2.7
170.05772	3.2
207.10252	4.6
227.20151	20.0
277.18082	100.0
278.18436	9.5
279.19644	27.9
295.15994	2.3
295.19083	45.4
296.19507	5.9
338.81870	2.3
363.25406	17.8
369.22821	47.5
370.23154	6.1
381.26657	2.9
399.64563	2.6
455.24350	5.0
455.35394	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	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48608	0.7
53.53412	0.8
59.01251	71.8
61.53138	0.8
61.98699	1.6
62.38309	0.8
69.03321	1.6
71.01260	24.4
72.99176	1.8
73.02815	15.8
80.46918	0.9
83.01279	5.2
85.02811	6.6
87.00731	2.1
89.02308	6.0
97.02805	1.3
99.00756	2.3
99.04422	1.0
101.02323	16.4
113.02328	6.1
119.03361	1.4
121.06495	0.9
128.03421	2.0
131.03362	1.2
143.03401	2.3
149.04752	1.1
149.05994	10.0
159.02925	0.9
161.04477	5.4
176.74117	0.8
177.12788	2.2
187.14809	1.3
203.05562	5.2
205.15904	7.0
214.13240	0.9
221.15416	1.8
233.15535	7.0
249.14935	29.6
250.15262	1.9
251.16508	100.0
252.16815	9.2
298.32092	0.8
313.72589	0.9
395.20660	4.7
413.21848	12.0
414.22134	1.3
455.04419	0.8
455.22864	34.9
456.23096	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	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
62.96261	0.4
70.80101	0.7
70.80486	0.7
71.01234	0.7
74.35466	0.3
75.00739	0.7
78.95774	100.0
83.82947	0.3
89.02326	0.5
89.99149	0.3
93.04364	0.3
110.89799	6.5
110.98412	93.5
111.98762	0.4
112.98685	0.7
115.00248	0.6
122.17648	0.4
128.70081	0.3
145.01379	0.7
169.27052	0.3
170.97771	0.6
171.00900	0.3
187.02382	0.5
190.69214	0.3
208.41916	0.4
217.49767	0.3
287.01926	0.6
341.10754	0.5
345.02420	0.4
406.59293	0.4
453.10815	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.0
57.03315	3.3
58.00460	1.7
59.01252	75.4
61.98692	3.7
64.21469	1.0
65.94492	1.1
68.45854	0.9
69.03320	1.0
69.27953	2.7
69.28374	7.2
71.01256	39.2
72.99164	2.1
73.02821	18.8
75.00736	1.0
76.20408	0.9
81.55207	0.9
83.01259	15.2
85.02822	23.3
87.00740	2.8
89.02316	6.5
95.01263	1.8
97.02846	1.9
98.02349	1.6
99.00763	5.7
101.02327	51.5
102.02650	1.6
103.03873	1.2
108.02084	1.9
113.02333	16.9
114.02651	1.3
116.92718	2.0
124.98952	1.2
125.02319	1.6
129.01825	2.1
143.03407	3.0
145.04915	1.2
152.01103	1.8
153.01929	1.4
159.02907	3.4
161.04445	11.1
163.05997	2.3
202.32556	1.0
219.02936	1.7
249.13423	85.1
250.13753	7.0
278.70898	1.0
282.61093	1.0
293.12418	1.6
315.00165	1.0
395.19223	100.0
396.19583	14.0
437.07654	1.3
455.07321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77480	4.0
57.03287	3.7
59.01252	3.9
65.00189	4.4
69.03308	4.6
79.92570	3.6
81.03313	3.7
83.01255	5.9
87.00771	3.3
93.03369	4.0
95.01251	10.2
97.02818	9.1
98.20599	6.3
107.01279	11.3
109.02836	9.1
111.00736	6.4
121.02804	5.9
123.00745	10.8
125.02325	31.8
126.02766	3.4
133.02884	3.9
137.02338	10.5
139.00174	5.0
139.03838	3.9
147.04417	7.6
147.12410	3.4
149.02322	8.8
151.00279	16.0
153.01808	20.3
154.50848	3.6
157.30548	3.4
159.04449	7.2
161.02332	5.5
163.00230	10.4
163.03906	5.1
164.00974	4.3
164.98294	4.0
165.01822	16.6
167.03362	8.1
169.01309	6.5
171.04398	5.5
173.02402	3.6
175.03806	4.7
176.01038	4.7
177.01793	11.9
178.99745	9.5
181.01314	13.6
190.02594	5.1
191.03285	4.6
193.01360	9.7
199.03882	5.1
201.01924	3.5
203.03407	15.7
204.04083	4.4
205.01381	9.8
205.04982	6.1
207.02977	5.5
215.03471	15.0
217.01247	5.0
217.04977	9.9
218.02121	4.3
219.02849	14.5
229.01440	18.3
229.05299	4.0
231.02917	8.6
233.04536	6.7
241.01491	5.1
243.02904	21.2
244.03770	13.9
245.00868	10.6
245.04497	13.3
246.01579	6.8
247.02431	5.3
257.00909	6.5
258.01593	16.4
259.02444	42.7
261.03943	18.0
271.02399	28.1
272.03250	21.4
273.00610	5.0
273.03879	6.9
274.01178	10.8
275.01932	10.7
285.00305	14.1
285.03558	7.0
287.01971	100.0
288.02438	15.5
289.03537	32.3
290.00693	35.4
291.01425	4.0
291.05130	9.0
299.02090	5.4
300.02695	14.0
301.03326	29.8
304.02197	9.1
305.03110	4.7
315.01544	36.8
316.01843	5.8
317.02917	15.3
319.04565	8.6
330.03625	6.7
333.02533	41.7
334.02917	5.6
345.02484	16.5
363.03659	18.0
381.07977	5.1
409.07275	5.8
420.07047	29.4
435.05847	31.9
436.05798	6.3
453.06702	97.3
454.06958	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	453.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	21.3
65.00196	2.8
69.03309	2.5
71.01254	11.2
73.02811	3.9
79.01759	3.0
81.03330	4.8
83.01238	6.5
85.02813	5.1
85.77039	2.3
87.00742	2.4
89.02318	7.6
93.03335	2.2
95.01246	6.4
95.04897	2.3
97.02813	7.4
99.00759	3.0
101.02348	10.4
103.03854	2.4
107.01257	7.5
107.16278	2.0
109.02840	8.7
111.00774	9.7
113.02338	2.9
117.03304	2.3
119.01253	3.6
119.03345	2.1
119.04932	4.6
121.02859	5.3
123.00771	5.5
124.01525	2.9
125.02340	23.0
133.02829	6.3
135.00754	2.9
137.02344	17.2
139.00278	10.0
139.03844	2.3
141.01830	4.9
143.03438	2.3
143.04871	2.9
145.02844	3.7
147.00732	2.4
149.02328	6.1
151.00296	14.3
151.03893	2.5
153.01842	9.7
159.04457	5.4
161.02365	7.1
161.05888	2.1
162.11142	2.1
163.00282	10.2
163.03929	3.7
163.05981	11.7
164.01132	2.5
164.98198	3.0
165.01839	12.0
166.99742	2.9
167.03394	7.9
171.04434	5.0
173.02353	5.1
175.03871	7.7
176.01071	3.5
177.01877	8.2
178.99788	5.2
180.97688	2.3
181.01324	7.8
185.02321	2.2
187.03931	7.8
189.01855	7.8
189.05476	4.0
190.02591	5.9
190.99768	7.1
191.03362	8.7
192.00462	3.3
193.01303	9.7
197.02415	2.1
197.04362	2.6
199.03976	3.8
200.01047	2.8
201.01878	4.0
201.05272	2.7
202.02650	2.6
202.99814	3.8
203.03494	12.6
204.03984	2.2
205.01414	9.9
205.03128	1.9
205.05029	10.9
205.06883	3.1
206.01932	2.1
213.01846	3.0
214.02571	2.5
215.03439	8.3
217.01341	4.0
217.04953	11.4
218.02097	2.3
219.02943	6.5
223.02385	2.4
227.03410	4.6
229.01422	12.3
229.88434	2.7
230.02130	3.0
231.02966	7.2
232.03424	2.2
233.04520	15.3
241.01334	3.3
242.02209	3.1
243.02905	14.8
244.03386	2.5
245.00827	9.7
245.04512	12.3
246.01604	5.0
247.02396	6.0
257.00900	8.3
258.01678	12.6
259.02429	34.4
260.02945	2.3
261.03973	19.3
262.04382	2.3
271.02505	22.9
272.03235	17.0
273.00424	7.9
273.03967	7.1
274.01093	6.2
275.01938	7.2
277.03476	2.1
285.00244	11.1
286.00958	3.9
287.01981	76.1
288.02502	8.9
289.00314	3.7
289.03561	31.5
290.00699	56.7
290.03748	2.7
291.01236	8.3
291.05127	9.0
299.02115	3.1
300.02713	4.4
301.03140	9.5
302.00742	4.1
303.01376	10.6
304.02213	5.6
305.02832	6.5
315.01437	26.7
317.02972	10.6
319.04578	6.5
329.03171	3.6
331.04541	3.8
333.02493	51.5
334.02966	4.2
345.02554	12.2
363.03604	14.3
381.08221	10.1
393.17685	7.9
407.05920	5.8
409.07739	11.2
419.06195	2.2
420.06961	23.7
421.07547	4.3
425.07187	3.2
435.05682	28.5
436.05847	4.5
453.06720	100.0
454.07138	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	453.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65374	1.5
69.03333	3.5
70.53789	3.7
70.54116	2.0
71.01238	2.0
79.01705	2.4
83.01254	5.4
86.13994	1.7
93.03345	1.9
95.01272	5.8
97.02837	4.0
99.00723	4.6
107.01266	9.1
109.02822	6.9
111.00757	5.2
117.03345	2.0
119.01263	2.1
121.02845	3.2
123.00757	7.3
123.04437	1.8
124.01595	2.4
125.02329	22.9
130.27252	1.5
131.04837	2.3
133.02908	2.7
135.00784	3.0
137.02353	8.1
139.00273	5.8
141.01817	5.1
147.00745	2.0
147.04474	2.7
149.02319	6.3
151.00272	14.5
151.03903	2.0
153.01849	16.2
161.02344	4.3
161.05989	2.3
163.00261	11.5
164.00946	2.4
165.01840	14.6
167.03371	4.9
173.05986	1.8
173.16084	1.7
175.03862	6.6
177.01845	8.9
178.99765	12.5
181.01312	22.4
182.01796	2.1
187.03847	3.8
189.01932	2.9
189.05481	2.3
190.02657	3.3
190.99751	5.0
191.03430	5.6
192.00493	2.4
192.28529	1.6
193.01373	14.2
195.02940	2.4
201.01877	2.0
202.02519	2.6
202.99686	2.1
203.03447	6.1
203.11356	1.7
205.01347	14.2
205.04991	2.6
206.99254	2.6
207.02887	2.6
215.03456	6.1
217.04994	3.9
217.41190	2.0
219.02921	7.4
221.00812	3.0
223.02463	4.1
229.01419	5.4
231.02872	4.8
232.03638	2.2
233.04514	6.8
241.01314	2.4
243.02922	10.3
244.03671	4.8
245.00879	5.0
245.04539	10.4
246.01584	3.9
247.02448	6.7
249.03958	2.4
258.01630	6.2
259.02380	17.4
260.02966	2.3
261.04037	16.6
265.03067	2.1
271.02380	10.5
272.03174	5.1
273.03772	3.2
274.01147	3.7
275.01877	4.0
275.05405	2.2
277.03625	1.9
287.01926	28.8
288.02362	4.0
289.03549	32.6
290.00763	20.1
290.03851	3.3
291.01385	3.7
291.05136	7.0
300.02786	2.9
301.02969	8.2
303.01508	4.1
304.02347	2.6
305.02692	3.7
315.01535	9.5
317.02948	6.8
319.04602	11.4
333.02454	28.9
334.02853	2.3
335.04120	2.8
345.02380	4.9
363.03452	9.5
381.08298	6.6
407.06100	3.5
409.07758	7.2
420.07172	13.0
432.03186	1.9
435.05585	20.9
436.06543	5.1
453.06693	100.0
454.06891	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	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67267	0.1
54.14603	0.1
58.02847	0.3
58.76307	0.1
59.01238	0.3
59.09685	0.1
62.19202	0.1
63.01828	0.1
67.85269	0.1
69.22300	1.0
71.01245	0.2
72.04414	0.1
80.04917	0.3
81.03327	7.5
82.03667	0.2
82.14899	0.1
83.01241	0.1
83.04893	23.0
84.04379	0.1
84.05228	0.5
93.03352	0.2
100.07571	0.2
101.02322	0.2
107.06028	0.6
108.04435	0.8
109.02786	0.1
118.97946	0.1
123.00748	0.2
124.01511	0.5
125.02332	1.0
125.07091	2.8
126.05479	0.5
126.07411	0.1
137.02362	0.6
140.10722	0.1
143.08157	1.9
149.99478	0.8
151.00188	0.1
154.19194	0.1
157.13396	0.1
162.43539	0.1
166.12326	0.1
168.00560	1.6
169.01344	0.1
199.18120	0.1
207.14969	3.2
208.13380	0.2
208.15210	0.1
224.17636	4.4
225.16025	12.2
226.16418	0.8
242.18726	1.6
243.19011	0.1
250.15517	0.3
268.16644	0.4
281.06619	0.1
289.07144	0.1
290.22379	0.3
306.21915	0.2
307.23926	0.3
309.21887	0.4
313.05701	0.2
317.99713	0.1
324.22931	0.2
324.26538	1.7
325.26736	0.2
331.06567	0.1
333.22922	4.0
333.26929	0.2
334.23145	0.4
339.27533	0.4
341.29556	0.1
350.24445	0.1
351.24026	1.2
367.27145	1.3
385.28198	0.4
395.44461	0.1
411.63760	0.1
433.31805	5.6
434.32132	0.9
442.80655	0.1
451.08847	2.5
451.32855	100.0
452.09177	0.4
452.33176	15.7
463.80298	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	452.2782
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
58.74115	0.4
59.01241	0.7
62.96267	0.5
69.52473	2.3
69.52882	1.0
73.36909	0.5
74.11994	0.5
78.95776	100.0
80.28085	0.6
96.96838	7.5
101.87045	0.4
117.59175	0.4
140.01045	1.5
140.13982	0.5
141.17334	0.5
152.99489	15.4
171.00558	17.3
176.12125	0.5
196.03740	1.5
214.04840	0.7
235.34698	0.5
255.23279	17.5
256.23553	1.4
274.36456	0.5
287.01947	0.7
294.50702	0.4
304.61478	0.5
309.98883	0.5
345.02615	0.6
378.24231	1.3
404.14532	0.5
452.27820	54.7
453.06937	0.5
453.28214	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	451.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.1
57.03329	2.0
58.00470	1.6
59.01253	34.2
60.01583	0.4
60.01855	0.3
61.98687	0.7
67.01736	0.3
68.99700	0.5
69.03336	2.3
71.01255	100.0
71.04893	2.4
72.01592	1.7
72.99175	2.8
73.02822	17.5
74.03168	0.3
75.00742	0.9
79.12010	0.3
81.03343	1.5
83.01259	10.9
83.04904	0.8
84.02055	0.3
85.02827	18.6
85.99960	4.6
86.03172	0.5
87.00755	15.4
87.04404	3.2
89.02318	14.6
95.01273	2.2
97.02825	3.1
97.06458	0.7
98.20596	0.5
99.00765	4.3
99.04391	4.8
99.08036	5.3
101.02326	34.8
101.05955	2.0
102.02670	0.9
103.03893	8.3
109.02882	0.4
111.00761	0.9
113.02338	11.0
113.05969	0.9
115.03899	3.7
115.07558	1.7
117.05470	7.7
117.06240	0.6
118.95683	0.3
119.03387	6.7
125.02349	6.3
127.03935	1.4
129.01837	0.8
131.03447	1.8
136.96094	0.3
139.07565	0.5
141.01843	1.2
143.03427	4.4
143.07045	34.3
144.03702	0.3
144.07384	1.5
145.04982	2.7
157.08640	0.9
159.02908	2.4
161.04471	17.1
161.08107	18.2
162.04878	0.6
162.08469	0.7
163.06044	12.6
179.05545	0.6
185.08151	0.7
187.09686	19.5
188.10068	1.2
205.03503	0.9
205.07115	3.0
215.09251	2.0
229.07153	1.3
239.87021	0.3
247.08228	3.8
265.09525	0.4
272.03574	0.3
277.12933	21.5
278.13336	1.5
287.02042	0.4
288.02887	0.5
289.20160	0.5
307.10385	1.4
308.28610	0.4
331.05667	0.5
357.64291	0.3
364.79117	0.3
423.18723	19.9
424.19107	2.3
451.11569	0.5
451.18359	4.6
451.25546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28992	0.8
57.03318	2.0
59.01254	17.8
60.34108	0.9
61.98699	3.6
69.03323	1.4
71.01256	13.8
71.52088	1.7
73.02826	2.2
79.18044	0.9
81.03331	12.2
83.01253	7.1
85.02823	3.4
85.28166	1.0
89.02326	11.3
90.83450	0.9
95.01244	1.6
95.04895	12.3
97.02830	4.8
99.04388	7.6
101.02322	7.0
108.02038	1.1
109.02845	9.9
111.04382	1.6
113.02316	5.5
113.53303	0.9
118.66563	0.9
119.03390	4.1
121.02834	2.8
121.06448	1.2
122.03563	1.1
123.00809	1.3
123.04416	18.6
125.02341	35.5
126.02677	1.9
135.04408	11.2
137.02347	3.4
137.05998	10.3
138.80750	0.9
139.03899	3.2
143.90671	1.0
151.03925	1.3
153.01898	0.9
161.04500	1.8
163.03964	1.2
165.01903	1.7
165.05507	4.1
167.03407	63.6
168.00331	1.1
168.03799	3.2
169.01306	2.3
179.03410	7.0
179.05547	2.1
181.04939	1.4
191.03375	1.4
191.70950	0.9
197.04474	5.8
199.11450	0.9
209.04488	41.5
210.04871	2.2
213.75804	1.3
215.12866	1.5
221.04546	2.9
239.05542	5.8
259.02582	1.4
288.02698	1.4
289.07172	2.8
289.20132	6.9
300.02927	1.1
301.03622	1.0
313.07001	1.4
331.08212	100.0
332.08615	11.9
361.09277	22.6
362.09454	2.7
451.08322	4.5
451.20929	2.8
451.25516	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.8
60.55713	1.8
60.78444	2.1
61.98705	20.1
71.01252	12.2
71.52101	2.9
73.02839	2.1
75.00740	2.2
81.03352	2.4
83.01268	3.2
85.02825	5.5
89.02316	15.7
95.01235	2.3
95.04868	2.8
101.02321	11.4
109.02821	5.2
113.02346	4.8
119.03385	5.3
121.02808	2.1
123.04378	3.5
124.01593	3.9
125.02325	10.0
137.02321	8.5
137.06027	2.7
149.04445	3.3
151.00296	2.9
153.01920	5.3
161.04419	3.0
165.01836	11.1
167.03406	9.2
169.01366	3.6
176.01042	4.3
179.05403	2.8
202.02414	2.3
202.99908	2.7
209.04420	4.7
215.03380	2.4
216.04303	3.1
217.01341	2.7
230.02145	2.5
242.01965	2.2
243.02916	8.7
244.03534	2.4
245.00926	11.3
257.00943	5.1
258.01477	4.9
259.02350	9.2
260.03214	2.8
271.02426	5.8
272.03088	9.0
273.00470	10.1
274.01196	10.7
275.01981	5.9
285.00443	3.8
286.01215	3.1
287.02060	21.7
288.02731	56.1
289.03311	8.7
289.16476	3.2
299.02188	3.6
300.02679	4.4
301.03467	11.0
303.01413	6.9
313.03409	2.1
315.01495	4.1
316.02237	20.6
317.03000	4.6
320.01669	2.8
331.01010	2.1
331.04590	44.5
331.08276	15.2
332.04926	3.8
346.03235	8.4
361.05615	13.4
361.09430	3.3
419.05997	3.4
433.07797	6.9
451.08847	100.0
451.21402	11.3
452.09192	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01745	1.3
57.03315	1.3
58.00444	0.4
59.01253	9.8
71.00950	0.6
71.01257	8.9
72.99184	1.3
73.02823	3.0
76.28500	0.3
78.21368	0.3
83.01252	2.1
85.02818	4.8
85.99979	0.6
87.00743	1.0
89.02332	1.8
90.64483	0.4
95.01276	0.9
99.00773	1.0
99.08026	0.8
101.02328	5.1
111.00769	0.7
112.01564	0.4
113.02322	2.6
125.02279	0.5
129.09047	0.4
141.12747	0.5
159.02847	0.5
166.75874	0.3
186.15688	0.3
262.31378	0.4
269.21228	2.2
271.28412	0.3
285.20551	0.8
287.22281	28.1
288.22638	2.9
299.65997	0.4
311.22525	0.5
392.62088	0.4
431.26587	1.5
438.79150	0.4
449.27545	100.0
450.27911	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80645	0.2
54.25576	0.1
56.18773	0.1
57.03326	0.5
59.01253	1.6
61.98704	100.0
62.98415	0.2
68.99691	0.2
69.27756	1.6
71.01257	0.5
81.03329	1.6
82.03671	0.5
83.01241	0.4
86.11889	0.2
89.02321	0.5
93.03362	0.2
95.04903	0.8
96.05234	0.3
97.02846	0.7
98.03162	0.2
98.51578	0.2
99.04411	1.8
100.04743	0.4
101.02329	0.3
108.02083	0.2
109.02854	0.3
117.03352	1.2
118.03687	0.7
123.04430	0.7
124.04767	0.3
125.02335	4.3
126.02668	1.5
129.35110	0.2
133.02855	0.2
135.04457	0.4
136.04778	0.2
137.02403	0.5
139.03897	0.5
151.00267	0.3
151.03934	0.2
152.01038	0.2
153.01941	0.2
161.02443	0.2
167.03413	12.3
168.03748	6.3
169.03902	0.3
175.04015	0.1
179.03378	0.2
194.01802	0.2
197.04480	2.4
198.04849	1.7
224.94177	0.2
235.02473	0.4
236.02812	0.4
266.04016	0.2
287.07764	0.5
288.08102	0.6
300.05481	0.2
301.06125	0.2
302.06384	0.2
328.05472	0.3
329.06284	0.8
330.06949	2.2
331.07324	0.2
360.07260	0.9
450.10498	1.0
451.09286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49880	0.3
71.28705	0.4
78.95779	4.8
98.50479	0.3
110.98412	3.7
130.79988	0.3
152.99490	0.4
159.45529	0.3
167.01064	2.2
175.81854	0.3
185.02173	2.6
191.43842	0.3
281.24857	100.0
282.25198	12.0
373.36261	0.3
449.26770	6.9
450.27191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08058	0.3
54.83064	0.3
61.84568	0.3
63.31820	0.3
78.95776	13.0
82.25145	0.3
95.73926	0.3
104.97326	0.4
110.98411	10.2
123.10356	0.3
144.82785	0.3
155.20531	0.3
167.01057	12.7
185.02144	2.7
281.24844	100.0
282.25183	11.1
403.66946	0.4
449.26736	18.4
450.27090	3.4
464.92963	0.4
468.83118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
60.03790	0.2
61.98705	1.5
62.96301	0.2
71.01276	0.3
78.95777	51.9
88.27009	0.2
96.96846	6.3
120.94733	0.2
121.02828	0.2
133.02802	0.4
135.04402	1.0
150.97934	1.8
152.99493	100.0
153.99835	1.6
161.02364	3.4
162.02678	0.2
171.00552	4.0
179.03392	0.2
277.21719	0.3
287.22055	0.3
295.22665	0.5
431.24756	0.3
449.22968	11.2
450.23572	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03328	2.0
59.01253	100.0
61.98696	2.4
69.03328	1.2
71.01256	35.4
71.51672	1.3
72.99178	2.2
73.02820	8.8
75.00758	1.2
83.01266	4.1
85.02827	15.1
87.00755	1.7
87.04408	1.4
89.02328	15.6
90.98481	1.3
93.03325	5.0
95.01285	1.3
95.44433	1.0
97.02817	1.3
99.00754	4.8
99.04427	1.3
101.02326	25.8
104.13240	0.9
108.02068	2.3
109.02788	1.1
113.01614	1.6
113.02338	16.4
117.03359	1.2
119.03397	5.4
119.04913	0.9
125.02335	3.7
133.02859	1.1
135.04449	2.7
136.01500	1.7
137.02365	6.2
143.03410	3.5
151.00262	4.6
152.01041	1.4
153.01872	1.3
159.02945	3.4
161.04471	22.3
167.03369	7.4
179.03412	2.3
179.05565	2.4
185.11734	1.7
197.04478	1.5
205.03520	1.6
209.04425	1.0
213.11452	1.1
231.10303	1.5
271.41809	1.0
275.09219	1.6
281.06693	1.3
283.02509	2.1
285.04163	2.5
286.04254	1.4
287.05350	7.0
288.05685	1.2
329.06250	1.8
345.89151	1.0
389.21820	33.8
390.22202	4.2
449.10867	6.6
449.20135	1.1
449.27731	2.2
450.11420	1.4
450.20328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03320	1.8
59.01254	12.0
61.98690	0.7
64.95654	0.5
69.03369	0.6
69.16666	3.3
69.17088	1.9
71.01260	9.4
72.99188	1.1
73.02820	2.5
81.03319	0.7
83.01270	1.4
83.04893	0.8
84.08694	0.4
85.02828	3.4
87.00758	1.2
89.02318	6.9
91.60102	0.5
93.03371	0.5
95.01241	1.0
95.04942	0.6
97.06486	3.9
98.20589	1.1
99.00744	0.6
100.92551	0.5
101.01692	1.0
101.02323	9.5
111.00774	0.9
113.02347	4.0
119.03407	2.0
125.02318	0.7
134.03712	0.5
143.03429	0.7
151.11198	16.6
152.11537	0.8
161.04503	2.9
167.03442	0.8
169.12262	100.0
170.12617	5.7
183.51659	0.5
195.10225	2.4
197.19635	0.4
213.11272	21.1
214.11569	1.7
253.09282	7.1
275.09207	1.0
301.06018	0.7
327.04840	0.6
329.05710	1.1
343.34775	0.4
431.19177	0.6
449.20300	79.4
449.27014	4.4
450.20618	11.4
450.26929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01251	3.2
61.98714	0.6
62.96281	26.2
63.65360	0.4
67.51884	0.4
71.04890	1.4
71.52224	0.7
77.45376	0.4
78.95778	65.8
80.97341	35.1
99.00747	1.9
102.64374	0.5
126.76455	0.5
131.82785	0.5
149.00006	16.0
151.01515	0.6
152.99503	1.1
179.01083	1.8
205.15945	8.8
206.16241	1.0
214.21384	0.4
242.98230	5.1
285.12662	2.1
307.41656	0.5
345.20651	0.6
355.16779	19.3
356.17148	2.2
369.27890	0.5
371.18698	0.7
375.21613	0.5
385.17834	21.0
386.18231	3.0
389.19901	1.1
389.30789	1.0
401.19955	0.8
413.19763	0.8
431.31506	1.4
448.31494	1.0
449.14987	100.0
449.32608	11.6
450.15414	11.4
450.33301	0.6
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	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03321	1.8
59.01254	31.2
59.09637	1.1
60.01586	1.4
61.98709	12.5
65.00193	8.0
69.82528	4.9
71.01262	11.8
73.02807	1.8
81.03320	1.9
83.01250	4.7
83.50301	1.1
85.02832	5.3
89.02312	3.1
93.03336	35.8
95.01253	1.4
97.02824	2.7
99.04395	1.5
99.77989	1.2
101.02346	7.9
107.01275	15.0
108.02056	31.3
109.02880	2.8
113.02335	5.6
114.58543	1.2
117.03339	2.0
121.02827	1.5
123.04420	15.6
125.02332	7.4
131.01259	1.5
134.03624	1.5
135.04417	79.5
136.01564	2.8
136.04730	3.4
137.02345	58.3
138.02699	3.2
151.00276	91.6
152.01064	63.2
153.01396	1.4
156.74895	1.1
165.01830	1.7
167.03415	95.8
168.03769	4.2
169.01347	2.3
171.10190	1.2
175.00288	7.2
179.03510	1.7
191.05705	1.2
193.01353	2.4
207.13863	1.3
209.11809	2.4
269.13889	13.2
281.04095	1.0
281.06650	62.9
282.07053	5.8
287.05612	100.0
288.05981	6.6
329.06335	2.1
337.67694	1.2
341.15906	2.4
347.17120	2.0
449.10843	62.9
449.19803	5.7
450.11404	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32384	0.2
57.03321	1.4
59.01245	0.2
68.99696	0.3
69.03322	0.2
70.38212	0.4
70.38570	0.3
71.01247	0.2
71.04882	0.5
81.03332	8.9
82.03672	0.3
83.01258	1.8
84.02032	0.3
87.92532	0.2
93.03342	1.2
95.01290	0.3
95.04903	4.4
97.02834	2.3
99.04398	8.0
100.04732	0.3
104.50826	0.2
107.04892	0.2
108.02110	0.2
109.02839	0.4
111.04397	1.0
117.03352	8.3
117.04197	0.4
118.03716	0.4
121.02818	0.4
123.04408	4.4
124.04685	0.2
125.02339	27.0
125.09396	0.2
126.02659	0.9
135.04456	0.5
137.02345	3.5
137.05890	0.2
139.03920	2.3
149.02354	0.8
151.00241	0.3
151.03885	0.8
154.21719	0.2
161.02365	2.0
163.03882	0.3
164.01009	0.3
165.01881	0.4
165.05513	0.4
167.03413	100.0
168.03748	4.9
179.03406	2.0
181.05052	0.2
184.68401	0.2
187.27245	0.2
191.03477	0.3
193.01369	1.5
197.04492	22.5
198.04840	1.3
205.01384	0.3
206.02180	0.2
209.04486	1.6
221.04628	0.2
227.05598	0.4
235.02451	5.4
236.02861	0.4
239.05579	0.4
251.05511	0.3
265.03375	1.1
269.06610	1.6
287.07773	6.6
287.10953	0.4
288.08133	0.4
329.06659	14.9
330.06870	1.8
341.06607	0.2
359.07684	3.0
360.08160	0.3
361.37997	0.2
366.22879	0.2
410.00189	0.2
431.10095	0.3
449.10818	0.8
449.16663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20729	1.4
56.78740	1.5
59.01248	3.7
61.98705	100.0
78.95773	5.0
109.73605	1.6
139.57957	1.7
141.68341	1.6
152.99500	7.4
161.02333	4.0
210.84360	1.5
229.41490	1.7
333.20615	1.6
334.61865	1.7
384.06409	1.5
391.73755	1.7
449.25348	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one
Peak:m/z	Relative Intensity
54.98775	1.3
56.82778	1.6
57.48504	1.3
59.01233	5.4
69.44647	5.1
69.45059	5.5
78.88276	1.4
81.03322	9.1
85.02838	1.8
93.03333	20.9
98.20530	3.0
102.99516	1.4
105.03342	6.6
108.02055	7.1
117.03329	5.7
121.02795	3.3
123.04409	73.7
124.04750	3.3
125.02337	2.8
135.04404	2.6
139.03876	2.2
149.02336	37.4
157.06538	1.8
159.04366	4.1
161.02385	3.6
165.01811	2.1
167.03401	4.1
173.05983	2.0
175.07555	4.7
191.03494	1.8
192.00540	3.5
192.72000	1.5
193.01343	28.6
199.07597	3.7
201.05519	14.5
209.04567	2.1
225.05569	2.2
235.02408	2.7
241.05087	4.8
243.06601	100.0
244.07021	8.4
267.06580	2.2
269.04596	6.3
269.24957	1.4
287.05563	16.2
329.06628	19.6
330.06549	2.8
355.06723	14.9
359.07870	7.5
360.07614	1.6
405.11752	3.7
449.10889	47.7
450.11230	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3113
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01251	4.8
61.98700	1.5
67.84669	0.3
71.01243	0.8
71.52878	0.4
73.02810	0.3
75.44022	0.3
78.95773	0.7
87.00784	0.3
89.02316	0.7
97.06454	0.4
101.02302	0.6
106.03516	0.3
107.25828	0.3
113.02311	0.4
124.73095	0.3
128.43727	0.3
133.02843	0.4
152.99467	0.4
161.04500	0.5
180.93524	0.3
183.13882	0.4
211.13309	7.3
212.13657	0.5
225.14943	0.4
248.13605	0.3
253.09264	0.9
279.23279	0.9
327.05078	0.9
344.96140	0.4
387.20163	0.4
429.29953	0.6
447.31137	100.0
448.31467	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.0
60.01598	0.2
61.98701	100.0
70.38714	0.9
71.01245	1.4
73.02805	0.3
74.02348	0.6
85.02831	0.6
89.02330	1.2
96.00796	0.6
97.02840	0.4
98.19894	0.3
101.02338	1.0
102.44420	0.3
113.02338	0.6
119.03364	0.5
123.04500	0.3
125.02339	0.5
125.03513	0.4
126.62858	0.3
128.32661	0.3
133.02908	0.3
135.04399	1.6
137.02336	0.3
167.03442	0.9
169.02470	0.6
171.10263	0.3
179.03435	0.4
185.02074	0.4
193.01361	0.6
213.11293	0.3
225.15092	0.3
280.23679	0.3
285.03870	0.4
286.04297	0.4
298.04532	0.4
299.05032	0.3
300.06061	0.4
327.05237	0.6
328.05365	1.9
329.06778	1.1
341.16104	0.4
358.06540	0.6
369.96658	0.3
396.73602	0.3
405.21414	1.0
414.16788	1.1
448.09857	1.0
449.24023	0.4
469.81546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35677	0.3
55.39337	0.3
58.02631	0.2
59.01238	0.5
61.97411	0.3
68.64341	0.2
69.21700	2.3
74.29181	0.3
78.95782	4.8
94.35181	0.2
98.20544	0.6
110.98415	3.7
136.09973	0.3
167.01083	2.2
185.02145	3.9
279.23285	100.0
280.23639	13.0
280.26752	0.6
314.83743	0.3
316.23361	0.3
447.25201	6.3
448.25491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
70.26129	1.0
72.67457	0.3
73.02790	0.3
77.28281	0.3
77.52236	0.2
78.95780	4.9
79.16570	0.3
102.84473	0.2
110.98416	4.4
113.15167	0.3
145.22589	0.4
152.99501	0.3
156.91777	0.3
167.01082	2.5
185.02141	3.9
217.94943	0.3
261.22250	0.4
279.23291	100.0
280.23630	10.4
305.40192	0.3
330.78931	0.3
447.25201	5.6
448.25568	0.8
452.02957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3112
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.32935	0.1
59.01247	2.1
61.98690	0.3
68.79622	0.1
71.01248	0.4
71.04865	0.2
78.95778	0.6
83.51491	0.2
95.07550	0.1
97.06470	0.7
101.02334	0.4
133.02817	0.2
134.03648	0.2
135.04407	0.3
152.99474	0.2
161.02338	0.7
161.04504	0.2
183.13811	0.2
193.12178	0.2
211.13332	3.2
212.13663	0.2
225.14861	0.2
233.15376	0.2
253.09290	0.3
279.23325	0.7
285.04102	0.2
299.20142	0.6
313.21777	0.3
327.05136	0.3
385.27878	0.2
387.20468	0.2
429.30002	1.4
447.31137	100.0
448.31467	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
57.03329	0.2
58.00472	0.2
59.01253	5.3
61.98703	0.4
63.95814	0.2
63.96113	1.1
67.01765	1.1
69.03310	0.3
71.01249	2.8
71.52128	0.2
72.99162	0.3
73.02811	0.6
79.95609	1.8
80.96391	0.2
83.01241	0.6
83.04877	0.3
85.02831	1.1
85.06426	0.3
87.00745	0.6
88.40752	0.2
89.02309	2.3
95.01285	0.2
97.06458	0.2
99.00745	0.2
101.02322	3.6
109.59013	0.1
113.02319	1.5
119.03400	0.5
124.03114	0.2
125.02325	0.3
125.09621	2.2
131.03424	0.2
133.02817	0.2
133.04901	0.2
149.65923	0.2
161.04475	1.3
167.14319	2.1
175.11113	0.2
179.05511	0.5
183.13893	0.2
185.94170	0.2
211.13335	100.0
212.13667	6.9
225.14835	0.2
235.08209	0.5
253.09258	10.9
254.09610	0.7
285.03970	0.3
297.03989	0.2
310.83548	0.2
327.05090	0.5
404.11011	0.2
446.21625	0.2
447.09744	0.2
447.20618	0.9
447.26193	0.6
461.61432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04059	0.3
55.01768	0.5
57.03323	0.5
59.01251	100.0
60.01583	1.2
61.98715	1.5
64.57854	0.2
66.40614	0.2
69.75198	0.5
69.75606	0.8
71.01257	9.4
72.99183	0.5
73.02818	2.3
76.97179	0.3
80.96407	0.4
83.01269	0.9
85.02825	3.8
87.00746	1.6
87.04422	0.3
89.02324	5.2
95.01286	0.8
95.85210	0.2
97.02847	0.4
99.00784	0.8
101.02326	7.6
101.02994	0.4
101.83862	0.2
102.02649	0.3
104.34061	0.3
109.02895	0.3
113.02330	4.7
119.03397	2.7
129.01860	0.4
133.02859	0.6
137.02440	0.3
137.09637	0.6
143.03441	0.6
151.11217	0.6
152.01108	0.3
153.12804	0.3
159.02939	0.8
161.04456	4.1
165.01883	0.4
179.05588	1.0
211.13425	0.7
215.53645	0.2
225.14925	5.4
226.15222	0.3
243.03300	0.2
284.03271	0.5
285.04080	0.4
285.16772	0.2
297.04242	0.7
297.17230	0.6
298.04871	0.5
299.05600	1.6
327.05103	5.8
327.08688	0.3
328.05466	0.6
339.04877	0.4
357.06125	1.7
358.06848	0.3
387.20242	26.4
388.20578	3.5
444.36722	0.3
447.09290	2.5
447.22617	1.0
448.10297	0.4
463.74582	0.2
464.17209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31870	0.2
53.87984	0.2
59.01047	0.2
59.01250	2.0
61.05994	0.3
61.86815	0.2
61.98702	3.3
62.96280	1.4
64.29057	0.3
71.00360	0.5
78.95775	44.8
87.14867	0.2
96.67253	0.3
96.96844	3.0
103.77486	0.2
148.99994	19.9
150.00229	0.4
151.01530	0.4
152.99481	6.7
158.92432	1.9
179.01048	3.0
205.15889	1.6
211.13364	1.3
240.96701	0.3
267.11523	0.5
320.93686	0.2
347.08133	0.6
362.67630	0.3
417.12363	0.9
431.10196	2.7
447.13412	100.0
447.30341	2.4
448.13766	12.9
464.10074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17453	0.2
56.82141	0.2
59.00985	0.3
59.01252	2.9
61.98704	0.5
62.96268	0.4
71.01261	0.5
73.02827	0.2
78.95775	53.4
96.96840	6.8
101.02293	0.4
139.31918	0.2
149.00009	0.3
150.97893	1.5
152.99489	100.0
153.99823	2.0
161.04456	0.3
171.00565	4.3
186.21223	0.2
208.36267	0.2
211.13330	3.0
221.42874	0.2
225.14877	0.4
244.59279	0.2
253.09239	0.3
279.23328	0.3
293.21292	1.0
311.22363	0.9
327.05283	0.5
378.14325	0.3
389.60886	0.2
429.29800	0.3
435.13257	0.2
447.13806	0.6
447.21515	12.6
447.30884	4.0
448.21741	1.7
448.31528	0.5
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
50.23502	1.0
51.51133	1.0
59.01244	3.6
62.50111	1.0
63.27530	0.9
70.84865	1.1
70.85181	1.2
71.01237	2.7
75.91710	0.9
84.64049	0.9
84.99709	0.8
85.02834	1.5
93.20121	0.9
98.66261	0.9
99.00768	1.4
101.02326	1.2
103.78254	0.9
108.02061	32.8
109.02864	5.5
113.02299	1.2
119.35891	0.9
121.12661	0.9
125.44894	0.8
152.01073	38.0
153.01552	1.4
161.04454	1.5
207.43585	1.0
228.60373	0.9
315.07526	1.1
430.72165	0.9
447.11453	100.0
448.11780	10.5
462.04562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02290	0.5
52.52077	0.4
55.01755	0.8
56.82639	0.4
59.01252	6.8
61.98711	0.5
67.01775	0.9
68.99654	0.4
69.03326	74.7
69.33604	3.1
70.03661	1.8
71.01250	0.9
78.22161	0.3
79.01757	19.4
80.02097	0.5
81.03328	3.4
81.11436	0.4
83.00076	0.3
83.01279	1.0
84.73607	0.4
85.02817	2.5
91.72497	0.4
93.03345	0.4
95.01264	8.8
97.02828	43.7
98.03172	1.7
98.20567	0.8
101.02300	0.5
107.01269	66.1
108.02089	11.9
109.02857	3.6
113.02310	1.0
121.02828	3.8
122.03569	0.6
123.00770	16.4
124.01111	0.6
125.02335	82.3
126.02660	3.7
130.52782	0.5
133.02853	1.8
134.03688	0.7
135.00774	46.9
135.04398	1.3
136.01620	5.0
137.02370	2.2
145.02779	0.7
149.02371	1.9
150.03239	0.7
151.00272	78.5
152.01073	24.1
153.01865	6.4
161.02341	0.8
161.04593	0.5
163.03920	4.4
165.01917	1.1
177.01849	10.3
178.02257	0.4
181.01237	0.4
189.01830	0.6
191.03378	0.5
193.05104	0.5
194.64740	0.4
197.06039	1.6
198.06723	1.0
211.13309	1.0
215.12112	0.4
217.05038	0.5
219.02930	0.6
225.05553	1.4
242.05809	100.0
243.06540	54.0
244.06963	3.6
285.07724	3.6
297.07553	0.9
339.07193	5.1
387.10687	2.0
433.93494	0.5
447.12943	39.9
448.13281	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32793	0.1
52.79607	0.1
59.01257	1.9
60.24443	0.1
61.22238	0.1
65.00194	0.5
69.11330	0.1
70.53781	0.3
71.01245	0.2
76.75977	0.1
79.01772	0.1
80.02541	0.6
81.03332	0.2
85.02847	0.3
91.01772	14.8
92.02103	0.4
93.03342	0.5
95.01260	0.6
101.02341	0.2
107.01305	0.3
107.04920	0.5
108.02053	19.4
109.02881	3.7
121.02813	0.7
123.00774	5.7
124.01524	0.5
130.38518	0.1
133.02856	0.2
135.00781	14.2
136.01106	0.6
136.81044	0.2
137.02342	3.8
138.02745	0.2
149.02316	0.4
152.01059	16.6
153.01443	0.6
165.01860	0.1
169.06512	0.4
191.69649	0.1
193.26489	0.1
197.06017	1.4
199.07539	0.3
211.13329	2.7
212.13687	0.2
213.05545	1.1
215.07040	0.8
225.05540	0.3
241.04979	0.4
242.05489	0.1
243.06595	100.0
244.06929	8.5
253.09319	0.4
327.05319	0.2
387.10876	1.1
388.11459	0.2
405.11765	0.3
447.13013	3.4
447.25952	0.2
447.31082	0.3
448.13309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98690	0.4
63.02279	0.3
65.00189	1.1
69.40631	0.4
69.41042	0.8
71.01250	1.0
73.02828	0.2
74.72786	0.1
82.93408	0.1
83.01260	0.8
85.02825	0.6
87.00777	0.2
89.02306	0.3
91.80418	0.1
93.03339	0.3
95.01223	0.2
99.00746	0.2
101.02319	0.5
103.63238	0.2
107.00609	0.2
107.01268	2.1
109.02834	0.2
113.02293	0.6
115.54169	0.1
117.03355	0.9
119.04957	0.3
121.02850	0.4
123.00761	0.4
124.01553	0.3
133.02849	8.4
134.03168	0.4
135.04350	0.2
135.09303	0.1
137.02333	0.2
139.03923	0.3
145.02856	3.1
146.03195	0.2
149.02342	1.6
151.00275	4.9
152.00671	0.3
152.92778	0.1
161.04440	0.2
161.89256	0.2
163.03926	0.2
171.04398	0.3
173.06090	0.2
175.02495	0.3
175.03928	3.3
176.04300	0.2
177.01761	0.2
183.10254	0.1
183.13695	0.2
185.05920	0.2
187.03975	0.1
189.05492	0.1
197.06020	0.3
198.03143	0.4
199.03923	2.1
201.01849	1.0
208.31740	0.1
209.11879	0.2
210.12206	0.3
211.04007	0.2
211.13348	2.2
213.05492	0.5
215.03435	0.5
217.04984	1.5
218.05231	0.1
223.03949	0.3
227.03461	0.5
229.05147	0.2
239.03384	0.2
241.04991	1.2
243.02969	0.5
253.09241	0.2
255.02983	0.5
256.03726	0.3
257.04565	0.7
267.02936	0.3
267.07120	0.2
271.02475	0.3
281.08893	0.3
283.02457	0.2
284.03238	1.2
285.04037	100.0
286.04395	9.6
299.05469	0.3
300.02768	0.3
301.03479	0.2
303.21649	0.3
307.08301	0.4
327.05057	1.2
357.06137	0.5
387.20499	0.2
447.08472	2.6
447.13870	0.3
447.19351	0.2
447.26071	1.4
448.09549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16407	0.2
50.96711	0.2
57.03311	0.3
59.01250	8.1
60.01599	0.2
61.98691	0.5
62.58685	0.2
63.02275	0.3
65.00212	0.4
68.99729	0.2
70.53276	0.5
70.53642	0.4
73.02821	0.6
76.06795	0.2
77.17741	0.2
81.03301	0.2
81.38482	0.2
83.01247	0.6
83.04890	0.4
85.02829	0.7
87.00760	0.5
89.02303	0.6
93.03332	0.6
95.01243	0.2
99.00739	0.3
101.02348	1.3
107.01267	1.1
108.02061	0.3
113.02292	1.2
117.03330	0.3
118.98058	0.3
119.03413	0.3
125.02334	0.4
132.02101	0.4
133.02821	0.5
135.00722	0.4
137.02316	0.5
143.03410	0.4
143.04900	0.3
145.02888	0.4
151.00279	2.1
153.01784	0.4
159.04408	0.3
161.04497	0.6
163.00168	0.4
165.01775	0.5
169.01305	0.5
169.06467	0.4
171.04436	0.4
171.10162	0.4
174.03043	0.3
175.03970	0.4
178.99818	0.6
183.04437	1.1
185.06017	0.8
187.03912	1.4
199.03825	0.3
200.04649	0.3
201.05505	0.3
209.11766	0.4
210.12117	0.4
211.03937	2.1
211.13348	3.3
212.04439	0.4
213.05435	1.1
227.03447	67.6
228.03789	5.9
229.05037	2.4
230.05287	0.3
239.03441	0.5
240.04208	0.5
241.05029	0.7
243.02971	0.3
243.15990	0.3
253.09351	0.4
255.02962	86.6
256.03506	12.7
257.04425	1.8
269.04514	0.4
283.02429	0.5
284.03247	69.5
285.03973	41.5
285.20526	0.4
286.04358	3.0
297.04059	0.7
298.04669	0.4
299.05734	1.9
303.21704	0.7
327.05072	4.9
327.08493	0.3
328.05377	0.4
357.06030	1.5
387.20160	0.8
405.21265	0.5
447.09296	100.0
448.09631	14.1
448.16040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.5
59.01251	9.8
61.98704	15.7
63.02227	0.5
65.00181	1.8
65.03821	0.4
68.32391	0.4
68.99686	0.6
71.01241	3.2
72.44907	0.3
74.49849	0.4
77.03802	0.8
79.01763	1.5
80.07987	0.4
81.03320	0.9
83.01244	0.6
85.02831	1.0
89.02301	1.4
91.01740	1.0
93.03333	4.7
95.01220	0.8
95.04897	0.5
97.02805	1.0
98.20547	1.6
100.75311	0.5
101.02328	1.6
105.03329	0.6
107.01273	1.1
107.04916	0.6
108.02060	1.1
109.02843	4.6
109.99921	0.4
111.00772	0.6
113.02323	1.1
114.29742	0.4
117.03350	5.0
119.03419	0.4
119.04922	2.4
121.02859	4.1
123.00739	1.0
123.04386	1.3
125.02322	1.7
125.03358	0.4
133.02841	6.2
135.00769	1.3
135.04424	2.4
136.01579	0.7
136.98726	2.1
137.02342	7.2
139.03822	0.6
143.04800	0.6
145.02824	1.4
147.00726	0.5
147.04446	0.6
149.02324	2.3
151.00243	1.6
151.03902	2.3
152.01118	0.5
153.01839	1.5
159.04402	0.6
161.02353	3.5
161.04433	1.5
163.00269	3.2
163.03897	1.9
164.01064	1.1
165.01839	10.6
165.99043	0.5
166.02377	0.7
167.03365	1.2
167.04842	0.5
169.06464	1.0
171.04390	1.4
173.02339	0.6
175.03879	1.3
177.01846	3.5
178.99768	0.7
179.03400	3.7
179.04851	0.5
179.05554	0.5
180.00505	0.4
181.06526	0.7
183.04555	0.5
185.05981	0.9
187.03894	1.5
189.01817	1.7
190.99814	0.7
191.03412	1.0
193.01323	1.9
193.06557	0.5
195.02875	1.4
195.04483	0.9
196.05144	0.5
197.05971	0.9
199.04044	0.8
199.07556	1.2
200.04744	1.1
201.01877	0.7
201.05408	0.6
202.06099	0.4
205.01381	1.5
205.12218	0.7
206.02075	2.0
206.12614	0.7
207.02930	8.4
207.04907	0.9
209.06058	1.1
211.03970	1.2
211.07562	1.1
212.04796	0.6
213.05531	1.2
215.07111	0.6
225.05576	2.2
225.15083	2.4
227.03455	1.7
227.07185	3.4
228.04076	0.5
229.05040	0.8
233.00842	2.1
237.05511	1.3
239.03453	1.7
240.04160	1.6
241.05119	2.4
243.02966	0.7
243.06390	0.6
253.05101	3.4
254.05556	0.7
255.02995	2.8
255.06529	2.6
256.03580	0.8
257.04504	1.2
265.04962	0.5
267.02982	0.6
268.03760	0.8
269.04599	3.7
270.05096	0.9
271.02451	0.6
271.05966	1.6
281.04541	5.6
282.05301	2.2
283.02478	2.1
283.06079	3.6
284.03275	16.6
284.06213	0.8
285.03937	8.9
286.04294	0.5
296.03271	0.7
297.04047	10.5
298.04758	7.5
299.05576	23.1
300.02988	0.6
300.06046	2.2
301.03613	1.0
309.04071	1.7
311.05618	3.2
314.04004	0.6
324.02667	0.5
325.03610	0.9
327.05075	100.0
328.05408	11.0
330.03732	0.8
331.04181	0.7
339.05154	4.7
351.05057	0.7
357.06134	24.0
358.06311	2.3
369.05978	1.8
387.07132	0.5
387.20108	2.8
411.06482	0.6
429.08429	2.7
430.08676	0.6
447.09305	84.9
448.09634	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07353	0.3
51.15606	0.4
51.92561	0.3
59.01246	0.9
63.84943	0.3
65.00175	0.7
70.37372	0.3
71.09112	0.6
77.03845	1.5
79.01772	1.1
79.56407	0.3
81.03320	0.3
83.01251	0.9
93.03333	0.4
97.02821	0.9
98.51842	0.3
105.03347	0.9
107.01271	1.1
109.02850	3.1
119.04924	1.3
121.02846	2.6
123.00702	0.4
123.04413	0.7
123.20127	0.3
125.02328	1.7
132.02078	0.5
133.02850	20.3
134.03580	1.1
135.00771	0.7
135.04413	2.9
137.02371	0.6
145.02831	0.7
147.04416	1.9
148.01593	0.7
149.02357	2.2
151.00305	0.7
151.03922	0.8
161.02348	2.3
163.00310	3.2
163.03908	4.5
164.00981	0.5
165.01828	2.8
171.04282	0.4
173.02309	0.5
174.03055	0.4
175.00307	0.4
175.03928	4.6
176.50060	0.3
177.01860	1.5
179.03502	0.4
189.01868	0.6
191.03450	2.3
192.03951	0.3
193.01367	2.2
198.03185	0.7
199.03972	2.2
199.07584	0.4
201.01891	1.8
201.05478	0.3
203.03351	1.0
205.01466	0.4
211.03905	1.2
211.07588	0.5
212.04654	0.9
213.05569	1.7
215.03485	0.7
217.01686	0.4
217.04985	0.6
225.05542	1.7
225.15067	0.4
226.02663	0.3
226.06262	0.3
227.03459	1.2
227.07008	0.6
229.05075	0.6
231.06526	0.8
237.05513	0.7
239.03516	0.4
240.04240	0.9
241.05057	1.6
242.02307	0.4
243.02814	0.6
251.03444	0.5
253.05013	1.7
254.05721	0.6
255.03110	1.3
255.06636	1.3
256.03735	1.2
257.04492	0.8
269.04541	1.6
270.05106	0.9
271.06158	0.7
281.04611	0.6
282.05469	0.4
284.03262	12.5
285.04013	8.5
286.04541	0.6
297.04053	18.0
298.04782	13.4
299.05588	22.9
300.05905	2.6
309.04114	1.3
310.04437	0.4
311.05634	3.9
312.05963	0.4
314.03958	0.5
324.02725	0.8
325.03403	1.1
327.05090	100.0
328.05420	9.9
339.05157	3.1
340.05301	0.5
341.06613	1.1
357.06168	28.1
358.06607	2.9
369.06110	2.6
370.06418	0.4
383.46356	0.4
387.20288	0.4
393.06149	1.4
411.07217	0.6
447.09311	22.3
448.09784	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	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	57.6
61.01673	3.9
61.98703	63.9
70.08670	11.3
71.01238	6.6
78.95786	4.6
82.63699	2.7
89.02321	7.7
101.02337	5.7
102.11264	2.5
138.94119	2.8
157.97081	3.0
170.88333	2.8
183.13857	5.8
211.13336	100.0
253.09248	11.1
279.23196	3.6
285.04117	3.3
327.05106	3.3
397.52060	3.0
447.23941	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	446.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76947	0.6
59.01251	96.9
60.01587	9.5
61.01693	1.4
61.98706	3.9
62.96283	2.2
71.01260	1.4
71.52975	0.7
78.95776	66.0
88.05726	0.6
89.02341	0.8
91.03886	2.8
96.96839	4.4
101.02348	1.1
103.58727	0.6
106.91123	0.8
112.28006	0.7
131.81566	0.7
137.00066	0.7
148.99992	19.8
150.97975	1.0
152.99493	39.0
158.77292	0.7
158.92456	2.1
171.00545	0.8
179.01025	2.1
191.66405	0.6
201.02156	0.6
205.15880	1.2
210.12053	0.8
211.13338	8.4
279.23291	1.0
293.21368	2.1
311.22311	6.4
312.22595	11.9
327.05228	1.5
356.84280	0.6
357.05960	0.8
417.12469	0.8
431.10455	2.6
446.20859	1.0
446.29962	2.4
447.13443	100.0
447.21353	14.5
447.30405	3.4
452.10193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
59.01250	2.5
61.98680	0.7
69.39297	4.4
71.01240	1.4
73.02841	0.6
75.00732	0.7
76.54095	0.5
87.66924	0.5
93.80931	0.6
95.01237	1.2
101.02320	0.7
105.59187	0.4
107.01340	0.5
117.03370	0.9
121.29109	0.5
136.98683	0.7
143.04872	0.7
143.14311	0.6
145.02875	0.9
152.00984	0.6
161.04550	0.5
163.00281	2.3
165.01846	0.7
165.99060	0.5
167.04948	1.5
168.05695	0.5
169.06456	0.6
171.04445	0.7
175.03917	1.6
176.00967	0.6
183.04509	0.7
185.06046	1.7
187.03938	1.9
187.89928	0.6
189.05482	0.5
190.02638	0.6
195.04431	3.6
196.05096	1.6
197.05896	0.8
199.03943	1.4
200.04710	1.2
206.34784	0.5
211.03952	1.6
211.13353	2.5
212.04686	0.9
213.02046	0.6
213.05518	3.7
215.03342	0.9
216.04230	2.4
217.04913	0.9
223.03871	0.6
227.03346	0.6
227.07172	0.6
228.04219	2.2
229.05006	1.0
239.03496	4.7
240.04181	5.4
241.04944	2.1
243.02907	4.4
244.03613	2.5
252.04185	0.6
253.04988	0.7
255.03125	1.0
255.06599	6.3
256.03738	1.1
256.06824	0.7
257.04526	2.9
267.06677	0.6
269.04468	3.5
270.05264	3.3
271.05777	0.7
283.02496	1.5
284.03241	7.4
285.04034	45.0
286.04343	3.8
295.06018	1.1
297.04053	12.5
298.04724	6.0
299.05588	52.1
300.02975	0.7
300.05881	4.1
309.03992	2.0
311.05603	7.3
312.06000	1.0
324.02606	0.9
325.03351	1.9
327.05078	100.0
328.05411	9.7
330.03790	8.4
339.05063	10.6
341.06445	0.9
355.04617	0.8
357.06155	31.3
358.06644	3.1
369.06238	2.3
387.06973	1.1
399.07404	0.6
411.07465	0.8
429.08353	2.0
430.08578	0.6
447.09296	58.4
448.09763	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.7
59.01249	13.8
64.20515	0.6
65.00195	1.3
70.04720	0.6
71.01250	6.7
73.02821	1.2
77.03844	1.9
79.01765	1.4
79.47451	0.6
83.01210	1.2
83.06101	0.6
85.02819	2.6
89.02311	4.9
93.03316	1.3
95.01227	0.8
97.02825	0.9
101.02318	4.7
105.03294	0.8
107.01259	1.4
109.02837	4.2
113.02307	2.3
119.03372	2.5
119.04900	1.3
121.02859	4.0
125.02338	1.4
133.02850	27.6
134.03139	1.2
135.04422	3.7
137.02310	0.7
145.02849	1.0
147.04347	0.8
149.02309	2.0
151.00215	1.4
161.02386	3.3
161.04430	2.2
163.00284	5.2
163.03903	4.0
165.01872	5.2
173.02264	1.1
175.03911	6.2
177.01849	2.6
179.05522	1.5
185.06012	1.2
187.03885	1.0
191.03365	1.6
193.01344	1.3
196.05176	0.8
197.06039	0.7
198.03123	0.8
199.03951	3.3
199.07660	0.9
201.01857	2.9
203.03450	1.1
211.03917	1.2
212.04622	1.1
213.05420	2.5
215.03496	1.4
220.48700	0.8
225.05495	2.5
225.14897	1.3
226.06210	1.0
227.03439	1.5
227.06906	0.8
229.05101	1.1
231.06795	0.7
240.04227	1.9
241.04976	2.3
243.02747	1.1
251.03427	0.8
253.05049	2.9
255.03012	2.1
255.06491	0.9
257.04669	0.9
269.04419	3.4
270.05252	1.8
271.05890	1.5
281.04611	1.3
284.03207	8.4
285.04025	19.1
286.04413	2.0
297.04034	32.7
298.04773	23.5
299.05579	43.5
300.05881	4.0
309.04074	2.6
311.05563	8.9
324.02747	2.1
325.03448	2.0
326.03683	0.8
327.05075	100.0
328.05432	10.0
330.03732	2.1
337.03674	0.9
339.05045	12.4
340.05576	1.4
341.06613	2.1
357.06140	54.1
358.06537	5.3
369.05969	3.1
381.06079	0.8
382.06073	0.9
387.07312	0.9
387.20203	3.3
411.07132	1.0
429.08167	6.2
447.09299	46.4
448.09659	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	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.6
60.01577	1.4
61.98706	33.0
62.96287	1.0
70.27166	2.2
78.95777	45.1
96.96841	3.1
149.00002	20.0
152.99506	10.6
158.92468	2.0
179.01047	2.4
205.15930	1.3
228.83759	0.6
311.22385	1.3
312.22626	2.2
417.12625	1.1
431.10413	2.6
446.29669	0.8
447.13434	100.0
447.30887	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36494	1.7
59.01251	97.2
60.01596	9.8
60.70318	1.6
61.46354	1.7
61.98702	100.0
71.09780	3.7
78.95814	1.8
105.63030	1.8
146.70006	1.7
152.99498	5.3
211.13326	4.7
227.76430	2.0
294.21573	2.7
311.22324	3.9
312.22726	13.3
380.75241	1.7
447.31155	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	446.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.6
61.98702	100.0
65.00184	0.7
69.90029	2.7
71.01257	3.0
79.01775	0.9
85.02799	0.8
87.32336	0.7
89.02341	1.0
91.03844	0.7
93.03358	2.9
101.02344	1.7
109.02852	2.8
113.02319	1.4
117.03336	3.3
119.03378	1.2
119.04915	2.0
121.02841	1.5
125.02379	1.0
133.02852	5.5
135.04318	1.5
136.01549	0.7
136.98672	1.1
137.02373	3.4
151.03955	1.2
157.36182	0.8
161.02415	2.8
161.04399	1.4
163.00333	2.8
165.01848	6.7
167.18240	0.7
175.03946	1.2
177.01947	1.9
178.99831	1.6
179.03537	2.1
187.03955	0.8
191.03488	0.7
193.01297	0.7
197.05836	0.8
206.02243	1.6
207.02902	3.3
209.06073	1.1
210.12218	0.8
211.03969	0.8
212.04730	1.1
221.11876	0.9
225.05620	0.7
227.03520	1.8
227.07210	1.2
237.05746	1.1
239.03590	1.2
241.05147	0.9
253.05096	1.3
255.03040	1.1
255.06721	1.2
257.04498	0.9
269.04578	1.6
281.04523	4.3
282.05524	0.9
283.02826	1.2
283.06247	2.3
284.03296	9.4
285.04077	4.9
297.04056	9.2
298.04776	5.4
299.05606	12.5
309.04211	0.9
311.05685	1.1
313.03601	3.5
325.03766	1.1
326.04086	1.0
327.05066	63.3
339.05206	1.8
341.64236	0.8
357.06097	11.7
363.65070	0.7
364.77219	0.7
369.06226	1.2
387.20285	2.7
429.08051	1.5
446.08649	2.4
447.09314	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76794	0.7
54.11235	0.7
59.01251	100.0
60.01605	0.8
70.53850	2.2
75.27772	0.6
85.79994	0.8
86.69202	0.7
91.03864	5.9
92.50805	0.7
104.84941	0.8
132.31271	0.7
149.90796	0.7
181.12354	0.7
186.84229	0.7
211.13400	1.9
217.94714	0.9
283.45496	0.9
287.47479	0.8
293.21381	1.8
311.22284	20.3
312.22800	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52963	0.6
59.01253	100.0
60.01595	1.1
62.54647	0.6
71.29160	1.0
91.03889	1.1
118.42879	0.7
120.41209	0.6
128.33620	0.6
156.06502	0.7
171.10323	0.8
293.21313	4.3
294.21588	1.0
311.22290	13.8
312.22797	1.4
441.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26187	0.5
59.01252	100.0
60.01588	1.0
70.81274	1.4
74.41853	0.5
91.03883	3.6
121.62869	0.5
124.81660	0.6
162.39879	0.5
199.13396	0.7
211.13396	1.4
293.21317	1.4
311.22263	13.6
312.22662	1.5
397.33835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
61.80277	0.3
67.23460	0.4
70.47565	0.3
73.02734	0.3
76.81840	0.3
78.95773	5.9
80.52913	0.3
110.98413	5.0
111.38573	0.3
111.65545	0.3
149.43840	0.3
152.99496	0.4
167.01041	2.2
183.53455	0.3
185.02145	4.3
259.20737	0.4
275.20172	0.6
277.21719	100.0
278.22049	11.5
303.01154	0.3
418.59702	0.3
445.23563	6.3
446.23734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.3
61.83557	0.9
61.98696	3.6
65.48851	0.8
71.01254	25.3
71.51983	1.1
72.99178	8.9
83.04952	1.1
85.02843	1.1
99.08035	3.6
101.96381	0.9
113.02309	0.8
115.00248	9.6
121.02821	5.0
127.11181	3.4
133.01334	3.6
137.09647	0.9
139.11195	11.3
155.10684	1.5
157.12222	1.3
162.62679	0.8
171.10172	30.9
172.10397	0.9
183.13814	1.4
201.95042	0.8
209.11769	3.4
211.13292	8.1
229.14363	5.2
277.02307	0.8
293.21146	1.1
311.22263	2.4
313.07248	1.1
327.21844	1.7
329.23312	100.0
330.23599	9.1
427.23605	3.8
445.11435	1.6
445.24460	7.5
446.24780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.1
62.99161	0.6
70.63370	1.5
71.01257	23.7
71.40363	0.5
72.99178	5.7
73.02814	1.0
78.95805	0.6
83.01186	0.6
83.04878	0.8
85.02822	1.6
87.00745	0.5
89.02309	1.5
94.15913	0.5
97.29401	0.6
99.00774	0.6
99.08035	2.8
101.02322	1.0
113.02302	0.8
115.00253	4.7
121.02847	48.0
122.03175	2.6
125.09608	0.8
127.11176	1.5
133.01341	2.2
139.11192	1.8
161.04422	0.8
167.14334	0.6
171.10187	7.4
180.05618	1.1
181.06506	4.5
183.13844	4.7
193.12265	1.6
209.11786	16.6
210.12091	0.8
211.13345	22.3
212.13696	1.7
225.05495	3.3
229.14427	13.6
230.14827	0.9
253.09328	1.9
269.15836	0.6
293.21109	1.2
311.22241	2.1
313.07172	12.5
314.07501	1.8
329.23325	100.0
330.23660	11.4
330.27301	1.0
357.05936	1.4
360.10532	0.6
392.81824	0.6
427.23315	2.1
445.11484	15.3
445.24231	3.1
446.12061	3.1
446.24976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90527	0.9
59.01250	100.0
60.00636	0.8
60.01580	1.1
61.98703	32.3
67.22199	0.8
70.38831	0.8
70.39178	3.0
71.13493	0.9
72.93679	0.8
91.03885	2.5
93.50080	0.9
96.12424	0.8
116.01550	0.9
125.09598	3.6
127.65604	0.8
232.59587	0.8
293.20880	1.0
311.22281	17.1
346.22543	0.9
445.29535	3.0
446.30322	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25535	5.4
57.03324	5.9
59.01254	100.0
63.29112	5.5
69.25412	38.4
71.01249	37.4
73.02833	7.7
82.89328	5.0
83.86669	5.0
85.02820	24.0
85.10466	5.2
86.22007	5.5
87.00751	10.9
88.04207	5.9
89.02306	23.8
90.19250	5.5
93.03331	5.9
95.01245	5.7
101.02322	23.5
113.02345	17.2
115.56408	5.4
119.03378	9.8
129.01790	5.7
137.02313	6.2
137.09619	13.4
143.03465	6.3
161.04430	31.2
190.52646	5.6
204.11432	6.3
205.12280	61.9
206.12625	6.7
209.11777	16.6
247.13440	11.4
445.11407	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03409	0.4
57.03316	1.2
58.00475	0.9
59.01250	100.0
60.01592	1.3
71.01254	17.1
71.09530	0.8
71.09879	0.9
72.01595	0.4
72.99200	1.3
73.02824	2.3
83.01271	1.3
85.02834	3.5
87.00763	1.6
87.61415	0.4
89.01766	0.8
89.02318	17.5
95.01275	1.2
99.00785	0.8
101.02317	9.6
101.02928	0.7
113.02330	7.7
119.03394	6.3
131.03409	1.9
135.04431	1.1
143.03391	0.8
149.04501	0.9
150.58034	0.5
152.03413	3.7
153.09161	0.9
161.04446	4.8
163.11201	3.0
165.09132	0.5
175.11238	1.2
177.12854	0.7
179.03494	0.8
179.05566	1.4
187.11220	1.1
205.12283	23.3
206.12656	1.4
221.06650	1.8
223.13609	0.7
410.58841	0.5
445.11533	1.4
445.20706	0.9
465.61661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
60.24602	0.3
69.38404	2.7
78.95775	18.7
90.13744	0.4
104.97352	1.0
110.98417	12.3
137.00018	0.8
152.99545	0.5
167.01068	15.1
185.02174	4.0
259.20706	0.6
277.21719	100.0
278.22064	11.3
399.20920	0.4
445.23587	18.6
446.23972	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50319	0.5
55.01757	1.9
57.03323	1.9
58.00464	1.7
59.01251	100.0
60.01606	0.9
70.91900	1.2
71.01254	52.6
72.01596	1.2
72.12428	0.5
72.99187	1.7
73.02817	9.1
74.02345	0.6
75.00756	1.2
83.01254	3.4
85.02825	17.4
87.00752	5.1
89.02316	33.4
93.03340	3.2
95.01258	3.5
97.02792	0.9
99.00751	3.4
101.02326	29.5
102.02672	1.0
113.01535	1.0
113.02328	21.2
114.02686	0.7
119.03394	13.7
119.12673	0.5
121.06485	1.4
123.08067	1.1
125.02360	1.3
129.01814	0.5
131.03429	1.5
135.04385	3.2
135.08067	0.9
137.09630	3.6
143.03392	3.3
149.04459	0.9
152.03497	2.2
153.09109	4.6
159.02893	3.0
160.36571	0.5
161.04463	28.5
162.04865	1.1
165.09126	1.3
171.08102	1.5
175.11250	0.9
177.12802	3.0
179.03477	2.4
179.05493	2.7
187.11214	7.3
188.08391	1.0
189.09111	1.4
190.09900	1.1
195.90434	0.5
199.77116	0.5
203.10777	3.9
204.11507	1.3
205.03622	0.6
205.12280	55.1
206.12590	4.5
223.13425	2.4
235.08159	3.1
236.08514	0.5
313.03622	0.7
341.61609	0.5
385.18936	1.7
385.77377	0.6
445.11578	1.7
450.66959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03319	1.5
58.00465	0.7
59.01252	100.0
60.01592	1.0
61.98697	0.5
71.01255	31.8
71.09480	1.2
72.01594	0.6
72.99189	2.0
73.02818	5.7
83.01283	2.4
85.02821	10.3
87.00764	1.4
89.02318	18.8
91.01788	0.7
95.01310	1.4
95.18639	0.7
97.02816	3.1
99.00782	2.7
101.02321	16.0
108.05741	0.9
113.02330	15.0
113.03070	1.1
113.05990	1.2
113.62572	0.6
119.03383	4.8
121.02858	1.6
123.08060	1.2
125.05998	2.0
131.03384	0.8
136.05199	1.3
137.02411	1.1
138.06767	7.8
139.07564	4.9
143.03456	3.1
143.04581	0.5
149.06012	0.7
151.03918	4.9
151.07538	10.2
152.04741	1.5
152.08339	14.9
153.09126	47.0
154.09508	2.7
159.02917	3.0
161.04459	20.3
162.04858	0.8
163.11258	1.3
165.09070	0.9
179.05472	3.6
190.09947	0.6
198.08305	0.6
201.08766	0.5
205.03600	0.8
205.12256	18.2
206.12637	1.2
209.11812	1.5
219.62843	0.5
223.13359	19.6
224.13824	1.1
264.26364	0.6
289.31024	0.6
385.18671	31.7
386.18939	3.5
445.20715	0.8
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
58.00462	0.8
59.01251	100.0
69.29374	6.6
69.91615	0.7
71.01256	21.2
72.99187	1.5
83.04906	3.2
85.02817	4.0
87.00760	1.7
89.02316	33.5
95.01284	1.1
101.02321	11.7
113.02315	7.6
119.03393	14.1
125.02380	1.5
131.03416	2.2
143.03416	2.5
149.04585	1.0
151.03928	0.8
159.29227	0.7
160.98170	0.8
161.04449	4.3
161.84822	0.8
163.00102	0.9
179.05544	19.1
180.05884	1.2
205.12363	1.0
209.11769	4.2
313.03665	1.5
445.20325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23121	0.4
58.00470	0.9
59.01251	100.0
60.01595	1.7
64.00610	0.3
70.79864	0.5
70.80192	0.6
71.01254	16.4
71.52288	0.4
72.99188	1.3
73.02811	0.5
83.01279	0.5
83.04876	2.5
83.92767	0.4
85.02815	1.9
87.00777	1.4
89.02318	26.5
90.02637	0.4
95.01290	0.9
95.90542	0.3
97.01091	1.2
101.02327	8.6
113.02332	7.3
113.03078	0.6
119.03391	11.0
119.83229	0.4
121.65961	0.3
125.02381	0.4
128.03450	1.5
129.88445	0.3
131.03458	1.3
138.01912	0.8
141.00066	3.5
143.03436	2.9
143.04555	1.4
149.04514	1.1
161.04456	3.1
171.38016	0.3
173.02702	6.2
173.04082	0.5
178.65965	0.4
179.05550	13.8
180.05870	0.5
189.85530	0.3
191.05701	0.3
205.12381	0.4
209.08257	0.7
210.08768	0.4
210.55672	0.3
220.27792	0.4
254.07889	0.7
272.08914	1.6
445.20700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62082	1.1
59.01250	8.9
61.98706	100.0
65.50116	1.0
71.01232	1.4
71.52278	1.3
78.95757	1.4
79.67705	1.0
89.02359	1.2
139.00328	1.1
163.08377	0.9
188.48831	1.0
199.98293	1.0
209.11758	1.9
311.22299	1.0
377.21176	1.0
392.64789	1.0
445.21225	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	444.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.8
61.98703	100.0
67.02538	1.0
70.73328	1.0
71.01260	1.7
72.11732	1.0
78.95784	3.3
89.02315	1.6
92.84907	1.0
93.79908	1.0
94.02840	1.0
97.17017	1.0
104.52163	1.1
109.84908	1.1
113.02334	1.2
121.64172	1.0
152.99490	2.9
154.35039	1.1
165.12766	1.3
172.25162	1.1
209.11783	1.6
213.50766	1.1
227.12848	1.3
291.19601	1.4
410.30975	1.4
445.21869	5.2
445.29227	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91114	1.0
59.01250	7.4
69.91452	1.8
69.91872	3.0
71.01250	4.3
72.00783	0.9
75.00745	71.7
76.01087	0.8
89.02323	4.5
98.19907	1.1
101.02348	2.0
103.00252	100.0
104.03412	2.9
108.02052	1.0
113.02326	1.9
119.03392	1.3
143.24306	0.8
152.01035	1.1
179.05490	2.5
201.06024	0.9
276.85175	0.9
341.10852	9.8
385.45386	0.9
439.15253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48565	0.5
59.01252	100.0
60.01590	1.1
69.30096	1.7
69.30515	2.5
73.32951	0.5
77.97237	0.5
83.04943	0.5
83.25941	0.4
89.02362	0.9
91.03882	4.9
96.96017	0.6
105.10162	0.5
109.06455	0.7
111.08070	1.6
149.81636	0.5
155.39763	0.5
164.19576	0.5
197.11775	7.7
199.13365	1.2
207.10228	1.3
211.13289	1.1
263.20105	0.7
291.19598	4.4
292.20050	0.5
309.20709	14.8
310.21234	2.0
393.08365	0.5
412.09979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41652	0.6
59.01251	100.0
60.01586	0.6
61.85147	0.6
68.20583	0.5
69.27203	5.5
70.01401	0.5
88.49009	0.6
91.03881	1.2
91.41457	0.6
111.08037	0.8
136.08867	0.7
145.77847	0.7
195.18253	0.6
197.11836	2.8
240.82706	0.6
291.19791	2.6
295.59879	0.6
309.20718	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01594	1.1
70.03300	1.9
70.03695	0.7
76.29714	0.5
94.88243	0.5
98.20464	0.6
109.51202	0.5
135.42145	0.5
154.09593	0.5
165.12868	0.6
166.74951	0.5
207.10283	0.5
209.11815	0.9
261.00485	0.7
277.74515	0.5
291.19733	3.3
292.20074	0.7
309.20682	6.8
310.21216	0.6
341.10959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56866	1.0
54.01856	1.1
58.46984	1.1
59.01250	100.0
66.73463	1.3
70.04585	3.1
70.04990	3.1
84.69819	1.2
91.03878	4.2
91.48614	1.2
108.65200	1.1
111.08039	1.7
111.61560	1.2
138.20125	1.2
139.76151	1.2
148.60756	1.2
166.87421	1.2
197.11812	6.3
197.13313	1.4
291.19565	5.2
309.20749	12.4
415.39078	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.97816	0.4
60.01583	1.2
70.53836	0.7
70.54166	0.5
75.00762	0.3
85.28838	0.4
159.68161	0.3
177.70116	0.3
209.11731	0.6
291.19678	2.1
309.20746	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01574	1.1
64.59878	0.8
70.28590	3.7
91.03896	1.6
95.39916	0.8
98.19808	1.1
137.58611	0.8
154.33188	0.8
177.70563	0.7
192.41045	0.8
197.11792	3.6
207.10349	0.9
209.58565	0.8
218.83330	0.8
238.33017	0.8
291.19672	14.6
292.19974	1.8
309.20731	20.1
309.24280	1.5
310.21072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
101.02288	1.1
162.19325	1.0
209.11667	2.0
291.19852	1.0
309.20648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51597	0.6
57.46839	0.6
59.01251	100.0
60.01581	1.5
71.24712	0.6
97.62171	0.6
98.19731	1.1
123.84394	0.6
146.07297	0.7
209.11778	1.3
265.99173	0.6
291.19724	3.8
292.20184	0.7
309.20773	4.9
310.21280	0.9
417.39902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41571	3.7
58.02847	16.5
59.01241	8.2
71.01263	3.6
71.51672	3.7
74.02345	39.4
81.04436	4.7
82.02869	5.5
86.02335	10.8
86.05993	4.5
87.05497	9.6
97.03912	4.2
99.05527	27.8
101.07079	5.7
102.05464	5.7
109.03931	7.9
112.03963	4.8
125.02963	10.1
128.03433	81.6
129.10228	5.4
131.04420	4.4
135.05533	11.5
140.05304	9.9
141.06616	4.5
143.04527	100.0
145.05957	3.4
146.04475	10.8
153.06567	8.5
166.09714	6.0
167.03328	5.6
167.08168	5.0
170.06313	12.6
171.03882	3.7
171.95888	3.3
179.04549	16.2
210.08719	22.4
211.08748	3.3
254.07797	38.1
272.08847	58.3
281.19800	5.8
314.12140	3.8
425.14999	9.7
443.09363	5.2
443.16034	51.7
444.16193	4.5
444.24518	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18021	0.6
57.03323	2.1
59.01248	4.1
59.27179	0.6
61.98690	0.6
69.03323	2.1
69.22942	2.7
69.23368	3.2
71.01250	31.6
72.99174	9.3
75.00743	1.0
85.02827	9.3
89.02345	0.9
93.03371	0.6
93.32858	0.6
97.02808	0.9
97.06480	2.3
100.74406	0.7
101.02315	1.1
109.06487	0.9
113.02273	0.7
115.00253	9.5
118.93309	0.6
119.03407	0.8
125.09601	1.2
127.07534	1.8
127.11161	1.0
133.01291	4.0
137.09644	3.0
153.09114	1.4
155.10670	0.8
163.11212	0.8
171.10181	25.7
171.11670	1.3
172.10536	0.9
176.52734	0.6
177.12666	0.7
183.13889	1.4
185.11728	2.1
193.12386	0.8
197.11749	1.9
201.11227	1.1
209.11778	8.1
211.13330	9.7
212.13649	0.6
221.11754	1.5
229.14412	6.8
230.14742	1.0
238.12071	0.7
239.12811	1.1
291.19708	2.8
307.19165	7.3
309.20645	0.9
325.20273	6.3
327.21756	100.0
328.22070	12.1
349.27686	0.7
425.21762	3.1
443.22778	9.2
444.23215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.61396	0.3
59.01252	100.0
60.01591	1.3
64.71949	0.3
71.01253	10.6
71.52376	0.4
72.99184	1.1
73.02821	7.6
77.39121	0.3
83.01254	2.4
85.02824	1.8
87.00748	0.5
89.02322	3.4
97.06485	0.5
99.27396	0.4
101.02322	8.5
108.03391	0.4
113.02339	4.2
117.93845	0.4
119.03428	1.1
121.06473	0.4
125.02354	0.6
125.09591	0.5
131.03470	0.4
134.41605	0.4
135.08057	1.0
137.09570	0.5
145.06081	0.7
155.03253	0.4
161.04494	1.3
171.10254	0.7
241.14491	0.6
254.49240	0.4
293.21344	0.9
302.77625	0.4
307.19220	0.6
349.46899	0.4
363.21719	0.4
441.24335	0.6
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	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03321	0.4
59.01250	100.0
60.01591	1.2
60.67564	0.3
60.77663	0.2
69.03297	0.3
69.29903	0.6
69.30314	1.8
71.01251	4.1
73.02824	1.1
77.43453	0.2
83.01286	0.4
85.02830	1.1
87.00768	0.3
89.02303	2.6
99.00762	0.3
101.02326	2.0
113.02345	2.9
119.03410	1.0
150.17848	0.3
161.04459	0.4
257.92532	0.3
265.60815	0.3
293.21304	0.3
307.19800	0.3
330.80881	0.3
381.22766	0.6
399.24036	0.8
404.48587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.4
71.52512	1.2
111.39437	0.8
163.03917	0.9
199.93968	1.0
221.34494	0.9
230.17267	0.8
276.19431	1.0
289.18076	3.2
293.21146	1.4
295.22836	3.7
307.19226	5.3
462.09021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60741	0.6
59.01250	1.5
69.92548	1.1
69.92947	1.9
71.01251	100.0
72.01598	1.9
72.99178	15.7
87.00754	1.5
96.99167	1.0
98.20528	0.7
108.69811	0.5
112.84258	0.7
115.00253	26.0
127.07544	1.8
128.08308	2.1
129.09117	0.9
133.01318	7.4
165.12807	1.5
195.13776	1.2
203.93227	0.7
204.51276	0.6
245.49333	0.7
275.20172	0.7
293.21268	3.1
325.20001	1.4
325.23831	29.5
326.24084	3.3
379.25067	0.9
423.23746	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	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.54651	0.1
54.88609	0.1
59.01251	100.0
60.01593	1.3
61.98710	0.2
69.03326	0.2
71.00093	0.3
71.01252	3.6
71.01617	0.3
72.99154	0.2
73.02818	3.1
73.03191	0.2
83.01254	1.0
85.02808	0.8
89.02328	1.4
95.01276	0.4
101.02328	2.9
113.02335	2.2
119.03381	0.4
121.08272	0.1
125.02389	0.2
131.03424	0.4
132.02917	0.2
134.04631	0.2
143.03442	0.2
161.04465	0.4
268.01517	0.2
294.09000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.3
61.98728	0.3
64.20327	0.3
70.53944	1.1
72.69518	0.3
117.45294	0.3
173.03969	0.3
181.01082	0.3
209.11801	0.6
225.11142	0.4
289.17984	2.6
307.19107	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.3
68.52319	0.7
93.49890	0.9
98.19812	2.1
117.34829	0.7
126.08281	0.6
149.16713	0.8
155.05789	0.7
165.59326	0.6
174.86447	0.6
175.67206	0.8
209.11852	0.7
289.18195	2.6
307.19177	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67405	0.5
56.16712	0.5
59.01250	100.0
60.01588	1.4
62.27084	0.5
69.04362	0.5
80.11591	0.5
85.03915	0.6
87.35479	0.5
94.92822	0.5
95.90139	0.5
108.39848	0.6
117.39830	0.5
123.22943	0.5
150.37367	0.6
159.19376	0.6
177.98254	0.6
184.12177	0.5
195.13875	1.2
245.19128	0.7
277.21817	0.9
289.18137	4.3
295.22775	8.3
295.25479	0.6
296.23032	0.7
307.19162	5.8
379.27744	0.6
427.15063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98701	1.5
55.01745	2.1
57.03329	1.5
59.01250	100.0
61.44943	1.3
71.01253	59.8
71.51974	1.5
71.52334	1.5
72.99188	3.2
73.02819	63.1
75.00732	2.3
81.03343	1.6
83.01258	20.0
85.02822	10.6
87.00745	5.9
89.02314	8.8
90.55762	1.3
95.01221	2.9
95.04865	2.1
97.02840	3.3
98.20477	1.5
99.00756	2.1
99.04403	1.9
101.02322	54.9
101.87863	1.5
107.04937	1.5
108.02055	2.3
109.02830	4.1
109.52414	1.4
111.00758	1.9
113.02306	14.0
119.03395	2.7
123.08099	2.0
125.02332	2.8
125.05977	4.6
131.03403	3.9
137.02332	2.2
137.05969	5.8
138.03122	1.5
139.03899	7.4
139.07581	2.1
143.03380	4.0
149.04443	4.6
149.09592	3.6
151.07512	4.6
152.01118	1.7
159.08057	6.4
159.84845	1.3
161.04500	8.9
161.05646	1.7
161.09746	1.4
163.03885	1.5
167.03445	1.7
169.08614	5.1
175.07610	2.1
175.11203	42.6
176.11545	3.2
177.09102	10.9
179.10686	2.5
181.08615	5.7
185.06018	9.6
186.06743	6.0
188.59377	1.5
189.05479	2.0
191.10677	2.7
201.09158	46.0
201.11053	2.2
202.09549	4.6
203.05438	2.1
203.07091	4.1
203.10640	2.9
204.07785	8.2
207.10175	2.3
219.10210	53.1
220.10614	5.3
237.11244	10.8
277.03296	1.5
325.84946	1.4
331.13947	4.0
381.15259	1.6
399.16489	3.1
441.17657	27.8
442.17731	3.5
465.91257	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13985	2.2
51.78254	2.3
59.01258	7.0
71.01246	3.2
71.50122	2.4
71.51497	4.5
72.07518	2.6
76.36031	2.7
79.69355	2.9
85.02832	5.3
85.96655	2.7
89.02290	2.5
102.94538	3.0
131.03403	2.6
161.04478	26.1
177.95415	3.0
277.21741	100.0
278.22122	9.6
289.99750	2.5
305.39267	2.5
347.39844	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	100.0
72.01594	1.4
72.99182	8.4
87.00758	1.4
92.00049	0.4
98.20544	1.5
99.00751	1.5
115.00259	9.7
121.37749	0.4
153.12761	0.6
158.64059	0.4
181.12286	1.4
207.13858	0.8
229.61055	0.5
261.86362	0.4
291.19717	2.5
301.21817	0.5
306.98163	0.4
310.94843	0.4
323.22287	9.3
324.22559	1.0
354.26154	0.4
416.30304	0.4
421.22522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.4
61.98696	1.0
63.21566	0.9
63.93429	1.1
71.52041	1.2
89.02341	2.9
91.03881	12.3
92.26147	1.0
96.95873	1.2
104.63203	1.0
167.10678	1.6
195.13866	7.4
195.57550	1.0
196.14233	1.5
204.07829	1.1
211.13312	1.8
216.16254	1.0
223.13429	4.9
224.13721	1.1
235.17055	1.5
256.13129	1.3
262.92355	1.1
275.20163	10.0
293.21219	100.0
294.21570	11.1
328.28909	1.1
378.79929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97326	0.3
58.14186	0.3
59.01262	0.6
71.01256	100.0
72.01602	1.5
72.99185	10.4
87.00768	0.7
95.04929	0.3
96.99187	0.7
97.06473	0.9
98.20509	0.8
100.72397	0.4
115.00263	17.0
116.00623	0.6
125.05959	2.2
126.06764	0.4
133.01344	3.6
165.12819	0.5
177.12766	0.5
253.14529	1.0
254.15079	1.7
287.39731	0.3
291.19702	1.4
305.21317	0.8
323.22275	24.1
324.22562	2.2
327.87784	0.4
334.43375	0.4
353.46237	0.4
396.35782	0.4
421.22672	0.9
442.35605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85839	3.1
57.03302	3.8
59.01246	7.4
59.02876	3.2
65.00188	9.6
67.01751	3.3
68.99678	11.1
69.03328	7.9
71.01249	8.4
71.40513	5.4
71.40862	3.6
72.99178	8.7
79.01776	9.5
81.03340	14.0
83.01246	14.7
85.02814	8.8
89.02331	3.3
93.03336	51.1
94.03693	3.8
95.01263	11.5
95.04901	6.5
96.99174	3.2
97.02850	20.0
99.00753	6.9
99.04422	7.4
101.02325	12.4
105.03337	6.4
107.01270	18.5
107.04893	3.2
108.02072	5.8
109.02830	45.5
111.00773	26.3
111.04375	3.2
113.02331	6.9
117.03346	49.5
119.04892	5.2
121.02831	11.0
123.00770	13.8
123.04412	14.3
124.01544	3.2
125.02343	71.7
133.02863	5.0
135.00783	6.8
135.04393	19.1
136.98715	4.1
137.02351	40.9
139.00227	9.5
139.03900	5.4
141.01816	13.0
143.04958	4.5
145.02846	21.5
145.06506	3.9
147.04451	5.3
149.02431	14.9
151.00273	37.1
153.01859	16.3
157.06360	3.7
159.04402	8.1
161.02353	49.8
163.00232	11.4
163.03899	31.5
165.01813	17.4
167.03409	70.5
169.01311	6.9
169.06429	3.5
171.04427	6.3
173.02359	4.4
173.05992	6.8
175.03912	5.5
177.01833	6.6
178.99724	13.3
179.03331	4.3
181.01317	13.4
183.02869	15.0
185.05949	14.5
187.03934	11.8
188.04689	4.1
189.01788	4.9
189.05515	9.9
190.99832	8.4
191.03412	81.3
192.03796	3.5
193.01375	40.4
195.02921	3.4
195.94148	3.4
197.04491	13.7
199.03966	5.5
200.04709	6.4
201.05515	13.6
203.03349	4.9
203.07051	14.4
205.01324	8.8
209.00896	15.4
213.05516	9.1
215.03412	11.2
216.04234	3.3
217.05170	3.5
219.02904	10.3
223.02393	4.3
227.03433	7.6
228.04182	6.1
229.05023	27.1
231.02956	32.4
231.06563	10.4
241.05026	4.1
243.02983	17.4
243.06612	4.0
244.03723	7.6
245.04572	30.6
247.02553	3.6
247.06000	4.2
248.03084	3.1
257.04562	41.4
259.02328	8.8
260.03278	3.3
261.03867	4.2
271.02399	6.9
273.04047	100.0
274.04285	12.3
275.03009	3.4
275.05511	14.7
285.04004	8.4
287.05426	4.2
289.03488	9.4
301.03421	43.2
302.04086	11.7
303.04742	8.0
315.05289	3.8
317.06598	16.5
319.04526	80.8
320.04977	9.1
329.04794	3.3
331.04752	5.4
349.05508	13.5
393.08237	84.1
394.08603	7.1
395.09848	4.7
421.08060	15.3
422.08249	7.8
439.08743	73.3
440.09116	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.3
69.53023	0.9
69.53448	0.8
71.01252	0.5
72.99167	0.3
78.95779	43.5
79.84331	0.2
89.02324	0.7
93.27650	0.2
96.95948	7.5
96.96842	100.0
98.19872	0.3
111.20486	0.2
119.03391	0.3
133.30278	0.3
138.72366	0.3
145.01326	0.4
186.12334	0.2
192.61586	0.3
263.05811	0.4
341.10956	0.7
439.08652	2.1
450.05988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55006	0.1
52.67150	0.1
59.01247	0.3
62.96290	0.2
63.67326	0.1
68.12261	0.1
71.01263	0.3
71.06516	0.1
71.06818	0.2
78.95775	44.3
79.95613	0.2
89.02315	0.2
96.95947	6.7
96.96838	100.0
99.00742	0.2
111.00779	0.2
112.98699	0.5
115.00275	0.4
142.99759	0.2
145.01346	0.5
233.04811	0.2
263.05722	0.3
276.42816	0.1
295.09290	0.1
341.10953	0.3
347.77094	0.1
394.18146	0.2
439.08676	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	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
57.03327	4.3
58.00473	2.0
59.01251	29.7
60.01588	0.3
61.98717	0.6
68.99704	0.4
69.03327	1.5
71.01254	49.9
72.01592	0.8
72.99181	3.0
73.02820	22.6
74.03159	0.3
75.00736	1.1
78.20623	0.3
81.03326	0.5
83.01257	20.2
83.04859	0.3
84.01597	0.6
84.02042	0.4
85.02821	28.6
85.99966	1.9
86.03146	0.7
87.00740	2.4
87.04382	0.3
89.02319	5.1
94.19814	0.2
95.01258	3.0
97.02847	2.3
99.00761	9.1
99.04360	0.3
100.01076	0.3
101.02324	59.3
102.02647	1.3
103.03875	2.3
111.00751	1.5
113.02328	19.0
114.02701	0.5
115.03900	0.6
116.22833	0.2
119.03342	1.5
120.68826	0.3
125.02328	3.1
127.03899	0.4
127.11170	1.1
129.01833	1.1
129.12749	0.6
131.03372	0.4
143.03403	3.2
145.04961	1.0
159.02908	5.0
161.04463	28.0
162.04788	0.8
163.06038	1.8
187.06058	0.2
199.13293	0.8
201.11246	0.8
205.03563	1.2
205.07002	0.3
229.07179	1.6
229.09575	0.2
244.09953	0.3
247.08185	2.0
273.17151	0.5
274.01321	0.3
288.03082	0.3
289.03387	0.3
291.18137	100.0
292.18484	8.5
317.03079	0.9
335.17099	1.4
347.03983	0.7
347.19644	0.4
377.20880	0.5
437.07770	1.2
437.23886	32.3
438.24240	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.9
57.03329	4.2
58.00464	1.7
59.01251	34.9
60.01587	0.3
65.84227	0.1
67.01775	0.2
68.99686	0.5
69.03325	1.3
70.84351	0.2
70.84927	0.3
70.85249	0.2
71.01254	49.0
72.01589	0.6
72.99187	3.1
73.02820	23.2
74.03146	0.4
75.00747	1.0
78.95818	0.2
81.03324	0.6
83.01258	20.3
84.01579	0.3
84.02046	0.3
85.02825	28.1
85.99977	2.0
86.03165	0.8
87.00742	2.7
87.04408	0.3
89.02319	6.3
95.01262	3.2
96.95914	0.2
97.02825	1.9
99.00761	7.8
99.04415	0.3
101.02323	57.8
102.02670	1.5
103.03893	2.5
109.02814	0.3
111.00767	1.5
113.02331	18.3
114.02663	0.5
115.03890	0.3
119.03387	2.2
125.02330	3.0
127.03886	0.5
127.11174	0.7
129.01859	1.2
129.12714	0.5
131.03372	0.5
139.00288	0.2
141.01811	0.4
143.03395	2.9
145.04977	1.3
159.02901	4.5
161.04468	21.6
162.04787	0.7
163.06032	1.7
163.78087	0.2
173.11752	0.5
199.13362	0.6
201.11238	0.7
205.03455	1.1
205.07167	0.4
229.07161	1.6
247.08153	1.7
273.17072	0.3
273.80170	0.2
275.01956	0.2
287.01840	0.2
291.18130	100.0
292.18457	8.2
317.02847	0.5
335.17059	1.3
347.03915	0.4
367.18851	0.2
437.23923	32.1
438.18646	0.3
438.24298	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	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29511	0.4
55.01759	29.6
57.03326	2.4
58.00466	1.5
59.01252	29.0
67.01774	0.5
69.03329	3.3
69.30595	4.1
71.01254	65.2
71.04900	0.9
72.01601	1.3
72.99181	9.0
73.02817	16.3
75.00743	0.6
78.32933	0.5
81.03342	1.8
83.01254	13.0
83.04909	1.0
84.01578	0.5
84.02065	0.6
85.02822	38.0
86.03178	1.3
87.00761	3.6
87.04417	0.6
89.02316	20.6
90.02675	0.5
93.00120	0.4
93.82808	0.5
95.01275	1.6
95.04895	0.6
97.02831	7.5
99.00767	6.6
99.04399	1.3
99.08040	1.3
101.02319	35.9
102.02685	0.5
103.03898	0.5
109.02808	0.7
111.00756	1.0
113.02335	6.9
115.03902	1.8
117.01840	0.6
119.03392	0.9
121.02846	0.5
123.00837	0.7
125.02325	6.5
127.03921	0.9
127.54400	0.4
129.01823	2.4
131.03403	12.8
137.02325	1.3
139.03983	0.5
141.01869	0.9
143.03415	2.0
143.07050	1.3
146.55551	0.4
149.04440	1.6
151.00259	0.7
155.03427	1.0
161.04456	1.5
161.08099	2.3
163.00302	0.5
165.01833	1.2
171.10129	0.5
173.04469	20.0
174.04834	1.0
176.82976	0.5
185.04501	0.5
187.09662	0.5
201.11278	8.6
202.11598	0.5
203.05556	1.0
221.11800	0.6
231.02960	0.6
233.04414	0.8
233.06641	8.7
243.03004	0.8
253.09212	1.3
258.01575	0.5
259.02493	0.8
271.02481	1.0
273.03955	0.8
274.01178	5.9
275.01865	1.9
277.12933	1.2
286.01239	0.5
287.01886	2.9
288.02719	1.7
289.03577	0.9
293.08606	0.5
299.01953	0.7
299.05609	0.5
301.03470	0.8
305.16025	1.1
317.03027	8.9
329.03226	1.0
347.03979	4.6
348.04266	0.6
383.17062	0.5
409.17114	4.6
419.06091	1.2
427.00711	0.5
437.07852	8.9
437.16562	100.0
438.07657	0.9
438.16882	11.4
454.87796	0.4
463.24271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.9
65.00196	1.4
71.09122	1.3
71.09452	1.0
81.03329	0.9
93.03359	1.1
95.01261	2.5
97.02828	1.0
103.63839	0.6
105.63789	0.8
107.01273	3.2
108.02058	1.3
109.02846	6.3
111.00669	0.8
121.02827	2.9
123.00806	4.2
123.04381	1.0
124.01546	0.7
125.02338	9.4
133.02852	1.0
135.00757	1.2
136.98680	2.1
137.02347	12.1
139.03911	1.6
147.04483	0.8
148.01596	0.9
149.02353	1.5
151.00282	10.2
151.03951	1.0
153.01840	3.0
161.02321	3.2
163.00241	3.8
163.03825	0.9
165.01845	17.2
166.02176	1.0
167.03432	5.8
169.01405	0.7
171.04370	1.4
173.06058	0.9
174.03136	1.9
175.03926	1.4
176.01051	2.4
177.01848	1.6
178.99814	1.6
179.03452	1.1
187.03975	1.8
189.01833	2.7
190.02641	1.4
190.99800	3.8
191.03355	1.6
192.00668	0.8
193.01393	4.0
195.02876	2.0
197.04344	0.8
199.03964	2.2
201.01811	2.2
201.05583	1.4
202.02635	1.8
202.99792	2.8
203.03404	2.5
206.99232	1.5
207.02853	1.4
213.01826	1.3
214.02655	1.2
215.03392	3.0
217.05011	2.4
219.02954	0.8
221.00900	1.0
227.03447	1.5
229.01440	5.1
229.05070	1.0
230.02090	3.0
231.02946	5.3
233.00877	1.3
242.01964	1.8
243.02948	8.1
244.03477	1.7
245.00819	2.9
245.04506	4.0
255.03000	1.6
256.04242	0.8
257.00934	4.8
257.04526	1.0
258.01651	5.9
259.02325	6.8
260.02670	1.1
269.00961	1.3
270.01480	1.0
271.02499	12.6
272.03104	2.6
273.00430	2.3
273.04004	10.8
274.01178	77.7
275.01874	25.2
276.02225	2.0
283.02505	0.8
286.01169	12.7
287.01962	29.0
288.02692	17.7
289.03351	6.4
299.02045	6.8
300.02344	1.0
301.03522	8.9
302.03986	1.4
303.05099	4.1
304.01996	0.8
313.03458	1.3
314.00702	1.3
315.01285	1.0
316.01965	1.4
317.02997	77.1
318.03375	8.9
320.01819	0.9
329.03027	7.0
330.03094	1.0
331.04510	2.5
341.03024	0.8
347.04062	47.3
348.04391	4.7
355.04376	1.0
359.04083	2.9
377.04971	1.0
389.04843	0.9
401.04962	0.9
419.06189	16.8
420.06522	2.0
434.67703	0.9
437.07199	100.0
438.07596	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	437.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10552	1.8
66.64418	1.8
71.00594	3.6
71.01240	1.8
78.28396	1.8
95.01240	2.5
107.01293	2.5
108.00735	1.9
109.02855	2.3
121.02822	2.4
125.02354	6.5
136.98615	1.8
137.02359	7.0
149.02379	2.3
151.00270	6.7
153.06859	1.8
163.00298	2.9
165.01814	12.6
176.01076	3.7
190.99852	2.3
202.99754	3.2
207.02956	1.8
214.02588	1.8
215.03561	2.6
217.04961	2.6
229.01393	3.8
230.02203	4.0
231.02895	2.6
243.02914	9.5
245.00879	2.8
245.04498	3.1
258.01694	9.5
259.02411	6.3
271.02487	20.6
273.00903	2.7
273.04016	10.1
274.01190	87.3
275.01855	12.6
286.01178	7.0
287.01950	28.9
288.02701	10.8
289.03549	11.3
299.01926	13.5
300.02475	2.3
301.03516	6.7
317.00089	1.3
317.03003	83.2
318.03256	7.5
347.04031	19.6
391.06747	5.2
419.06244	14.8
437.07214	100.0
438.07520	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	435.2516
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
58.76270	0.4
60.49548	0.3
69.24664	1.8
69.25098	1.4
73.41185	0.3
78.95776	51.1
95.10948	0.4
96.96842	5.3
110.98398	1.6
119.16360	0.3
150.97926	1.4
152.99490	100.0
153.99825	1.6
167.01056	0.9
171.00557	3.8
179.26144	0.3
185.02155	0.7
267.23279	8.6
268.23508	0.8
281.24942	1.2
287.01810	0.4
315.01489	0.7
317.03632	0.4
435.25183	7.4
435.31122	0.7
436.25507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43172	0.8
61.38614	0.8
65.00201	1.1
67.06139	0.7
71.28535	1.6
78.92381	0.8
93.03355	1.2
95.01277	1.9
107.01233	1.4
109.02834	3.5
112.24849	0.7
121.02818	1.8
122.91741	0.8
123.00752	3.7
125.02307	5.1
136.98717	2.1
137.02356	6.1
139.03914	1.1
149.02271	1.1
149.91682	0.8
151.00256	7.1
153.01797	1.6
161.02296	1.8
163.00269	2.3
164.98192	1.2
165.01843	14.7
167.03346	4.4
174.03165	1.5
176.01099	0.9
177.01849	1.4
179.03432	1.1
187.04002	1.3
189.01863	2.8
190.02629	1.7
190.99792	2.5
191.03467	0.8
193.01341	2.4
195.02931	2.5
201.01866	0.9
201.05421	1.3
202.02617	1.5
203.03348	1.5
207.03014	1.1
215.03386	0.8
217.05090	1.5
219.03070	1.0
227.03455	1.9
229.01451	4.1
229.04814	1.3
230.02144	1.7
231.02884	3.5
232.03369	0.9
233.00912	1.2
243.03023	5.7
245.00954	2.2
245.04488	2.7
257.00955	4.2
257.04651	1.0
258.01706	5.3
259.02411	4.0
271.02451	10.3
272.03006	1.8
273.00372	2.6
273.04065	5.0
274.01193	100.0
275.01816	21.7
276.02408	1.6
283.02628	1.1
285.04086	1.2
286.01233	9.0
287.01968	15.8
288.02695	5.6
289.03018	2.7
299.01971	6.8
300.02402	0.8
301.03540	5.4
303.05188	1.7
311.01898	1.0
317.03024	26.5
318.03378	3.7
319.03607	1.0
329.02979	3.8
347.04080	14.0
348.04474	1.1
359.04071	1.9
401.05106	1.0
419.06113	6.7
437.07193	37.5
438.07794	4.8
445.37811	0.8
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
59.01253	59.0
61.98683	1.7
69.18142	6.2
69.18565	4.2
71.01254	4.0
72.99151	1.2
73.02809	2.2
78.95789	5.2
85.02826	1.3
89.02312	2.3
101.02305	3.5
113.02317	4.4
117.30975	1.1
183.13832	7.2
195.13838	8.5
196.14127	1.3
199.09691	2.8
199.13309	2.0
203.03410	1.0
213.14909	100.0
214.15265	6.7
255.15941	1.6
259.02448	3.4
267.16013	1.2
286.01263	1.6
287.01913	9.3
289.03625	1.3
315.01431	6.0
317.03210	2.7
327.01584	1.5
345.02478	3.1
412.37476	1.1
435.05447	6.7
435.25876	4.1
436.05951	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	435.1294
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.96335	0.3
54.32975	0.4
54.57132	0.4
57.03320	1.5
58.00460	0.5
59.01250	7.7
67.01756	0.5
68.99676	1.2
69.03329	2.0
69.19824	2.0
69.20249	2.2
71.01256	3.8
71.04886	0.6
72.99202	0.6
73.02813	0.9
80.02547	0.5
81.03327	12.9
83.01256	4.3
85.02829	1.3
86.03202	0.4
89.02306	1.7
93.03328	5.9
95.01258	1.3
95.04900	12.0
96.05206	0.4
97.02827	5.2
99.00710	0.4
99.04385	5.2
101.02309	1.7
105.03294	0.6
107.01263	0.7
107.04901	1.3
108.02060	0.6
109.02828	1.7
111.04388	1.4
113.02319	2.3
115.03889	1.2
119.03432	0.6
119.04905	8.5
121.02835	1.4
121.06465	0.9
122.03619	1.7
123.00758	0.6
123.04409	18.9
124.01440	0.4
124.04734	0.6
125.02332	25.6
126.02651	1.0
127.03770	0.3
135.04413	1.8
137.02342	3.8
137.05977	13.5
138.06329	0.6
139.03165	0.3
139.03929	3.5
139.11223	0.4
141.05479	0.9
145.06476	0.7
147.04404	2.2
149.02336	1.4
149.05997	1.1
150.03127	0.5
150.71121	0.4
151.00262	0.9
151.03906	1.2
153.05434	0.7
155.03391	1.3
162.04819	0.4
163.00357	0.6
163.03882	0.5
163.07562	0.6
165.01837	0.8
165.05499	8.5
166.02600	1.1
167.03409	55.5
168.03716	2.4
177.05469	0.9
179.03421	9.9
180.17467	0.4
181.04924	2.3
185.11729	0.8
189.05508	5.3
191.03444	0.7
192.27629	0.4
193.01305	0.4
193.05005	1.6
193.15915	0.9
197.04488	4.0
203.03288	0.5
206.02130	0.7
209.04500	16.2
210.04871	0.9
221.04500	3.1
229.08649	0.7
231.06535	0.6
236.09042	0.6
239.05502	1.7
249.06213	0.5
255.15887	0.5
257.17371	0.5
259.02478	0.9
271.02600	0.4
271.09988	0.6
272.03369	0.7
273.04233	0.5
273.07657	8.5
273.17017	1.0
274.08023	0.9
285.04617	0.4
285.07678	2.6
287.01935	1.5
299.09265	0.5
301.03558	0.9
312.06332	0.4
315.08737	100.0
316.01682	0.4
316.09042	10.0
317.03226	0.5
327.05344	0.4
327.08755	1.7
345.09760	26.0
346.09927	2.6
357.09763	1.1
417.12076	1.8
435.05652	1.3
435.12814	4.5
435.22397	8.5
436.06897	0.5
436.13211	0.5
436.22699	0.5
448.09897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00981	0.8
59.01252	6.9
61.39979	0.5
61.98690	0.9
65.03848	0.6
69.03330	1.0
69.27303	1.5
69.27728	3.3
71.01257	5.1
73.02801	0.8
78.95776	1.0
79.01772	0.5
81.03329	1.0
83.01244	0.7
85.02831	2.8
89.02308	2.1
93.03336	61.4
94.03677	1.9
95.01269	2.3
99.00754	0.6
101.02328	3.0
101.21659	0.5
108.02052	57.9
109.02860	22.2
110.03173	0.9
113.02330	2.1
119.03400	1.0
121.02820	1.0
123.00779	1.4
123.04440	0.9
125.02303	0.9
133.02876	0.5
135.04398	0.9
137.02342	99.6
137.09573	1.2
138.02649	3.6
147.04562	0.5
149.02335	0.6
151.00368	0.5
151.03931	2.0
152.01057	87.2
153.01846	35.6
154.02226	1.0
155.10664	2.4
160.57501	0.5
161.02339	1.0
163.03914	1.7
165.01901	1.3
179.03461	0.7
195.02928	0.8
197.11736	0.8
199.13364	2.9
211.17068	0.6
225.03969	0.6
255.16054	1.5
259.02423	0.7
287.01889	2.5
289.16565	1.3
297.06146	23.2
298.06516	1.9
301.03696	0.8
315.01425	2.0
315.07214	20.3
316.07706	1.5
345.02570	1.1
435.09360	100.0
436.09720	12.8
440.02847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
59.01241	2.2
69.88478	1.0
69.88875	0.7
70.53645	0.4
71.01218	1.2
73.02808	0.4
77.77164	0.3
85.02791	0.6
88.54201	0.4
89.02271	1.0
98.19809	0.5
101.02304	1.0
108.02017	1.5
137.02249	0.4
152.00941	0.4
165.01772	0.8
180.04233	0.5
188.04683	1.1
199.03891	0.5
199.09679	0.6
215.03369	1.4
216.04123	1.3
219.02916	0.7
227.03470	1.3
228.04202	0.6
229.01358	2.6
229.05128	0.4
230.02159	1.9
231.02899	0.6
242.02205	1.6
243.02971	6.0
244.03732	9.0
245.00923	0.6
245.04117	0.8
255.03001	1.2
256.03793	0.6
257.00836	1.9
258.01688	7.5
259.02429	9.3
260.02768	0.8
264.27426	0.4
270.01642	2.3
271.02475	24.6
272.03253	100.0
273.03674	12.1
274.01230	0.6
274.04089	0.5
275.20337	0.4
283.02463	2.5
284.03021	1.8
285.00412	1.5
285.04034	3.7
286.04681	1.5
287.01965	4.7
287.04999	0.6
288.02664	0.4
295.02234	0.5
298.01318	0.7
299.02084	3.4
299.05511	0.7
300.02765	8.1
301.03445	1.8
304.02237	6.0
305.02625	0.8
311.01932	0.8
312.02893	0.8
313.03571	1.3
315.01770	2.7
315.05087	56.6
316.05441	5.6
317.02936	0.7
318.03732	0.6
327.05115	1.5
328.05423	0.4
330.03769	7.4
331.04111	0.8
345.02585	0.8
345.06131	23.7
346.06619	2.1
357.06189	1.6
375.07196	0.5
387.06970	0.6
399.07343	0.6
417.08624	2.7
435.09406	40.1
435.22192	1.1
436.09952	5.0
448.33337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03321	2.0
57.05447	0.5
58.00468	4.1
58.07235	0.6
59.01252	100.0
60.01588	0.9
69.16406	0.9
69.16810	5.4
71.01255	66.0
72.01586	1.5
72.99183	5.8
73.02826	3.4
74.97936	0.6
75.00715	1.1
78.95790	0.5
81.74889	0.5
83.01266	2.6
85.02823	11.7
87.00751	3.8
87.04370	1.4
89.02319	79.1
90.02622	0.8
95.01260	4.0
99.00755	1.3
101.02325	39.1
108.02059	0.7
113.02332	27.1
114.02626	0.8
115.00252	0.5
119.03394	32.4
120.03742	0.8
125.02303	1.1
131.03395	3.4
135.04300	0.6
137.02267	0.8
143.02562	0.5
143.03427	6.0
149.04486	2.4
159.02931	0.8
161.03427	0.6
161.04482	6.7
162.65782	0.6
163.42372	0.5
179.05528	10.5
185.06108	0.6
197.11612	0.7
209.54691	0.5
227.07018	1.5
236.66733	0.5
242.83989	0.6
253.04778	0.6
254.80183	0.6
256.03534	0.7
267.07034	1.4
271.02332	1.3
271.05923	1.2
271.19083	1.4
284.02991	0.7
285.03818	2.0
300.02686	0.7
313.03455	3.2
343.04300	0.7
433.07465	6.7
433.16815	1.7
433.24478	8.0
434.07733	1.3
434.24762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61038	1.0
54.00806	1.1
54.01064	0.9
57.57089	1.1
65.00208	3.1
71.38560	2.2
79.01762	3.8
81.14091	1.1
85.12622	1.2
90.92005	1.0
92.99684	1.1
97.02801	1.2
105.03426	1.4
107.01276	2.0
109.02836	4.7
111.16900	1.2
115.05424	1.2
121.02839	3.7
125.02306	3.7
131.04909	2.4
133.02853	1.6
133.17674	1.0
135.00764	1.8
137.02321	1.6
143.04973	1.6
145.02885	1.9
147.04395	3.0
151.00262	4.1
153.49448	1.2
159.04411	7.1
161.02295	1.6
163.00264	5.2
165.01840	10.5
166.02165	1.5
171.04410	3.9
173.02330	5.2
174.03160	4.8
175.03915	3.5
176.01047	2.8
177.01823	3.7
178.99814	1.3
187.03992	8.2
189.01875	2.4
201.01820	4.7
202.02667	10.2
202.99756	3.6
203.03432	7.9
209.11403	1.2
213.01770	1.6
214.02695	2.8
215.03494	12.7
217.01425	2.1
227.03384	3.6
229.01337	4.4
230.02148	9.3
231.02956	11.8
241.01433	2.1
242.02187	2.0
243.03069	6.9
245.00871	10.6
257.00894	9.1
258.01636	13.7
259.02457	65.1
260.02844	5.2
269.00980	1.9
271.02505	14.3
272.02768	1.6
273.00397	5.3
274.01181	14.7
275.02002	8.5
283.02454	2.0
285.00394	3.8
286.01169	4.2
287.01971	97.5
288.02530	16.2
288.11502	1.3
289.03528	5.6
290.00681	4.7
299.01999	11.1
300.02399	1.9
301.03513	3.6
303.01544	4.7
314.00592	2.4
315.01486	29.7
316.02048	3.5
317.03015	35.1
318.03369	3.7
327.01389	2.9
329.02954	3.7
345.02496	11.6
347.04105	2.7
379.06619	2.8
389.05048	2.6
407.06186	13.8
408.06509	1.9
417.04517	4.0
435.05673	100.0
436.06195	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	433.2358
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
62.96275	0.3
78.95774	51.5
80.73788	0.2
96.96840	6.1
127.30396	0.2
150.97929	1.8
151.68515	0.2
152.99487	100.0
153.99779	1.6
171.00545	4.7
203.36440	0.2
265.21661	0.2
279.23209	1.2
433.23596	4.8
434.23962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81310	0.3
57.26015	0.3
59.01247	1.8
62.96271	0.3
64.74526	0.3
71.31507	0.8
77.70004	0.3
78.95779	74.5
96.62495	0.3
96.96841	6.0
97.16566	0.3
116.23341	0.3
125.41955	0.3
128.19109	0.3
149.40121	0.3
150.97910	1.7
152.99496	100.0
153.99797	1.8
171.00580	3.1
278.73038	0.3
279.23291	1.7
357.45230	0.3
372.98340	0.4
426.79666	0.3
433.23645	11.9
434.23859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97760	0.5
55.01760	2.2
57.03315	3.9
58.00475	3.2
59.01251	100.0
59.34628	0.6
60.01588	1.6
60.99201	0.6
61.98699	1.1
62.45015	0.7
69.03330	0.9
69.22628	6.3
71.01253	66.3
72.01614	1.2
72.51152	0.7
72.99179	3.8
73.02819	12.4
75.00739	1.0
78.95795	0.8
81.03319	0.9
83.01264	6.4
85.02821	21.9
85.99996	1.5
87.00753	4.0
87.04367	4.1
89.02319	48.4
95.01272	5.5
95.04893	1.0
97.02869	1.6
99.00764	5.8
99.04411	1.3
101.02322	46.6
101.05998	0.8
109.02862	0.9
111.00794	1.0
113.02328	28.8
113.05973	0.7
114.02686	1.0
119.03394	24.2
123.04385	0.9
125.02328	3.2
131.03415	3.2
139.03929	0.8
139.11227	0.6
143.03394	7.4
149.04485	2.3
159.02931	3.5
159.06549	3.4
159.15514	0.6
161.04471	25.9
161.05833	1.3
167.03381	6.0
167.04521	0.6
168.03819	0.6
179.05540	10.8
193.73729	0.6
197.04440	1.5
197.11801	4.6
205.03552	1.3
216.50075	0.6
217.58411	0.7
218.85143	0.7
224.41180	0.6
249.09718	0.8
253.09354	1.1
253.14563	0.7
271.19116	9.6
284.03271	1.0
285.03964	0.7
299.02100	0.6
301.55209	0.6
313.03552	2.7
313.06900	0.9
319.17584	3.0
345.19238	3.4
415.23633	1.1
433.07642	4.9
433.24448	42.5
434.08109	1.3
434.24594	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93094	0.3
55.14316	0.3
57.03308	0.4
59.01253	100.0
60.01590	0.9
69.55624	2.1
71.01246	3.0
72.99194	0.4
73.02832	0.6
74.95183	0.3
78.95790	0.4
80.10384	0.3
83.01263	0.6
85.02842	1.0
86.31656	0.3
89.02322	2.0
95.01323	0.3
101.02325	2.0
108.02061	14.8
109.02377	0.6
110.21396	0.3
111.84973	0.3
113.02362	1.6
113.50193	0.3
114.55072	0.3
119.03366	0.6
119.52068	0.3
121.02872	1.0
123.04402	5.7
124.04798	0.4
146.45261	0.3
152.01064	15.8
153.01437	0.7
161.02420	0.3
161.04491	0.9
167.03416	34.4
168.03741	1.9
177.01869	0.6
179.05563	0.4
197.11768	5.7
211.13318	0.4
212.04793	1.1
253.09329	1.2
271.19183	0.4
285.03976	0.6
313.03424	1.2
313.07175	0.9
373.13275	0.4
433.07864	1.6
433.24463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67505	0.6
59.01250	100.0
60.01587	1.0
60.31683	0.6
61.24254	0.5
61.98691	0.5
63.41042	0.5
65.64565	0.6
70.73852	0.7
70.74174	1.0
71.32000	0.7
78.54733	0.6
78.95788	0.9
85.02789	0.6
90.67203	0.8
109.02811	0.9
139.43161	0.6
159.73206	0.6
197.11891	1.7
198.01050	0.7
285.04160	0.8
313.03714	2.0
433.07922	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	433.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	25.4
61.98708	3.7
66.00674	1.1
69.36758	9.1
71.01250	2.3
77.78822	1.1
78.95792	3.0
80.04960	5.8
85.34907	1.1
94.02831	1.1
94.06481	7.6
96.00793	1.2
96.08078	2.8
97.01577	3.4
98.05993	2.6
102.00126	1.1
104.04964	1.7
106.02856	2.3
106.06520	4.3
108.04423	2.0
109.01626	1.5
109.02818	2.1
109.05215	3.4
113.02401	1.5
120.04473	8.1
121.05235	2.3
122.06009	29.7
123.04472	1.4
123.06773	1.2
124.03937	2.5
124.07567	33.4
125.07931	1.6
136.03946	10.5
136.07553	1.6
138.05490	1.5
140.07063	1.7
148.03949	63.6
149.04335	3.3
150.05498	14.6
152.07079	1.8
152.99440	1.7
154.36383	1.3
166.05003	15.0
167.05421	1.5
168.06558	14.3
178.12201	1.3
194.04510	5.8
197.11775	6.2
210.03989	3.6
215.08290	1.3
215.11737	1.0
217.07552	1.1
229.13359	1.3
231.11337	7.0
232.11836	1.1
234.33733	1.1
241.09792	2.2
243.11320	3.0
244.08546	1.6
255.11472	2.9
259.10986	1.1
272.11658	1.3
273.12424	43.1
274.12820	4.2
285.03912	1.4
291.13513	45.0
292.13828	3.4
313.03479	2.2
317.11411	13.9
334.11658	3.6
335.12473	100.0
336.12872	12.1
389.20670	6.4
433.07803	5.9
433.19775	15.0
433.29498	2.2
434.20132	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06664	1.2
53.25699	1.3
56.64030	1.0
57.03302	4.2
59.01250	38.7
68.99686	1.9
69.03307	2.5
70.35934	4.7
71.01254	32.7
71.04858	1.4
72.99192	8.2
73.02807	4.0
75.00362	2.0
75.00748	26.0
76.70162	1.1
78.95758	1.8
81.03329	1.5
85.02348	2.0
85.02823	25.7
87.00758	9.8
89.02321	12.5
93.06976	1.7
95.01245	5.9
99.00761	12.7
101.02302	5.0
103.00211	3.7
109.02825	2.3
111.00731	1.4
113.02332	39.4
114.36184	1.4
115.00248	3.0
117.01841	4.1
119.03362	3.2
129.01811	2.8
139.11168	1.9
143.45770	1.3
157.01277	2.1
161.04460	2.0
175.02347	4.6
183.08662	1.6
183.10199	27.1
184.10640	1.7
197.11707	3.2
207.05003	1.3
229.04918	1.7
241.14438	3.0
249.06143	41.5
250.06558	2.8
256.03641	2.0
257.04617	2.1
267.07220	87.9
268.07513	4.6
269.04492	2.6
271.05649	1.5
284.03351	1.8
285.03943	4.1
285.06787	1.7
299.15317	1.3
311.05615	1.9
313.03320	8.8
313.06537	2.5
316.01923	1.7
343.04239	2.0
407.60318	1.4
433.07797	16.6
433.17023	100.0
434.07721	2.2
434.17468	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	432.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36118	0.6
57.03330	0.8
59.01250	100.0
60.01608	0.6
61.98713	0.9
68.20489	0.7
69.03326	1.2
71.01247	5.5
71.52669	0.8
72.01584	0.9
72.99190	1.2
73.02826	1.5
76.40432	0.7
78.95785	3.0
81.02499	0.7
83.01256	1.4
85.02847	2.4
85.99995	0.7
87.00770	2.6
89.02326	1.9
93.03311	0.7
95.01247	0.6
97.02863	0.8
99.00741	0.8
101.02312	3.1
104.68613	0.6
108.79878	0.7
111.00787	0.9
112.01559	0.6
113.02329	2.0
114.09139	1.5
117.03368	0.7
124.01536	0.9
125.02392	0.9
134.04591	0.8
143.03415	0.9
146.06052	1.2
149.02348	1.5
152.13515	0.7
196.62753	0.7
197.11769	2.8
201.05756	0.6
204.37450	0.7
269.20993	1.0
270.21527	1.0
273.23120	0.7
274.19312	1.0
279.11124	0.6
285.04034	0.8
287.22247	3.1
288.22565	6.3
312.05908	1.5
313.03543	1.7
313.15973	0.7
331.17627	1.2
343.04599	0.9
372.26517	20.2
373.26932	2.1
382.73151	0.7
390.62564	0.7
432.26859	27.5
433.07535	3.3
433.27451	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	431.3165
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
56.49942	0.2
59.01251	0.8
59.63868	0.2
69.68937	1.3
72.74661	0.2
76.01829	0.2
104.63239	0.3
139.10760	0.3
160.79515	0.3
268.94437	0.2
302.67392	0.3
311.05826	0.4
333.08572	0.2
431.31665	100.0
432.31992	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3165
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
58.36738	0.1
58.93953	0.1
59.01256	0.6
69.65309	0.7
75.00735	0.3
78.95760	0.5
81.31722	0.1
102.12716	0.1
109.45473	0.1
123.85108	0.1
127.07581	0.2
133.00034	0.1
152.99495	0.6
180.79802	0.1
266.30276	0.1
273.09723	0.1
283.06586	0.1
431.31650	100.0
432.31985	17.2
449.32959	0.2
453.75873	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	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61855	4.0
59.01253	94.8
60.01585	23.6
61.01674	21.9
61.98691	16.3
70.85012	9.4
83.27905	3.6
98.19926	3.5
135.81601	3.9
145.02834	27.9
146.03149	11.9
152.99408	6.3
163.03879	4.7
243.83858	4.9
297.23303	5.3
298.23566	6.1
338.21982	6.0
388.29126	4.8
402.17328	3.9
431.31549	11.3
432.25281	6.2
432.31952	100.0
433.07758	4.7
433.32346	10.4
458.30179	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43733	0.5
55.01764	0.7
56.14830	0.5
56.84466	0.4
59.01253	100.0
60.01592	1.1
62.46851	0.5
71.01254	11.1
71.09437	1.0
72.29240	0.5
73.02824	3.6
83.01271	1.7
84.11744	0.4
85.02821	4.2
87.00774	0.5
89.02323	2.4
95.01273	0.6
99.00732	1.0
99.24117	0.5
101.02330	10.3
113.02313	5.3
119.03393	1.0
128.03413	0.5
143.03409	0.6
159.02931	1.5
160.59538	0.5
161.04463	9.9
187.07643	1.6
209.15524	1.1
213.09279	0.5
231.06540	2.2
231.10268	0.6
241.06339	0.6
253.17444	0.5
283.06180	0.7
311.05661	1.5
364.83026	0.5
371.20740	22.2
372.20963	2.4
375.39072	0.5
387.11154	1.4
431.09671	1.0
431.22720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01252	1.5
61.98689	0.2
65.59608	0.2
78.95775	58.1
82.07007	0.2
88.98672	0.7
89.87439	0.2
96.96840	6.8
97.71658	0.2
128.14583	0.2
137.15863	0.2
140.69547	0.2
150.97926	1.6
152.99487	100.0
153.99820	1.7
171.00545	4.8
184.68814	0.2
213.31552	0.2
263.20099	0.4
277.21738	0.7
311.05557	0.4
353.85837	0.2
431.09827	0.3
431.22021	4.6
431.31137	0.3
432.22333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.4
61.98716	1.0
71.01252	6.1
71.51788	0.8
73.02795	1.4
77.03848	2.6
78.95772	2.8
79.01786	1.2
83.01284	1.1
85.02822	2.3
88.29442	1.0
88.96857	0.8
88.98675	1.7
89.02312	4.3
90.98470	48.1
92.19170	0.8
93.03334	2.6
95.01246	0.9
101.02314	3.9
105.01825	1.8
105.03310	0.8
113.02317	2.8
117.03347	9.8
119.03425	1.3
119.04923	1.2
121.02835	2.5
135.04407	3.1
137.02324	1.9
149.02348	1.7
159.04486	1.2
161.02371	5.0
161.04420	1.2
163.03949	4.3
164.04701	95.8
165.01851	1.0
165.05101	4.2
178.97925	1.0
179.07060	100.0
179.98781	4.8
180.07336	6.3
183.04555	1.0
191.03424	1.3
194.00378	10.6
195.01134	10.4
209.02689	8.0
210.03511	7.5
213.52042	0.9
223.75250	0.8
225.05858	6.7
239.06982	1.0
268.03848	2.8
269.04825	16.9
269.13800	2.6
270.05093	1.6
281.04565	4.2
282.05286	2.4
283.06116	47.4
284.06439	3.6
293.04483	1.8
295.06091	2.3
311.05606	80.6
312.05930	7.7
323.05569	4.0
327.22263	0.9
341.06668	10.8
341.12396	13.8
342.12848	1.6
353.07077	1.3
372.08841	3.5
405.94589	0.9
411.48792	0.9
431.09882	40.9
431.22803	3.7
432.10162	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	431.0982
Annotation	Vitexin
Peak:m/z	Relative Intensity
70.99441	1.0
77.03850	2.4
79.01769	1.0
88.67422	0.4
91.17465	0.4
93.03319	2.3
95.72417	0.4
101.90945	0.4
105.03308	0.9
117.03347	9.7
119.04881	1.3
121.02866	2.4
125.02385	0.5
135.04369	1.9
145.02811	0.5
149.02367	2.3
159.04395	2.4
161.02348	3.8
163.00217	0.6
163.03920	3.6
163.79936	0.4
165.01875	0.6
173.02420	0.5
174.96953	0.4
175.00360	0.5
176.63712	0.4
179.03462	0.5
183.04436	0.7
191.03445	2.0
195.08113	0.4
197.05972	1.0
203.03380	1.0
211.07593	0.5
215.07047	0.6
224.04723	0.5
225.05508	0.7
237.05537	0.5
239.07082	2.0
253.05127	0.4
265.00677	0.4
268.03711	2.0
269.04492	3.1
270.04938	0.5
281.04578	4.6
282.05243	2.9
283.06107	54.1
284.06421	4.9
293.04501	2.9
295.06097	2.0
295.85910	0.4
309.04077	0.6
311.05600	100.0
312.05939	10.7
314.04425	0.4
323.05630	6.2
324.05743	0.7
325.07074	0.6
341.06616	14.0
342.06924	1.3
353.06619	1.0
413.08777	0.7
431.09805	56.2
432.10129	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68149	1.1
56.13193	1.3
59.01252	100.0
60.01587	1.6
69.96738	1.1
70.08984	4.9
98.19932	1.3
128.78354	1.2
137.02290	1.6
147.83862	1.4
289.15958	1.5
295.22678	1.6
429.30170	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
62.67023	1.6
63.49397	1.4
65.67822	1.7
69.52521	4.4
69.52942	5.8
79.58205	1.5
82.49603	1.4
106.33944	1.4
113.79388	1.6
122.57940	1.5
128.03633	2.0
295.22687	2.2
315.65277	1.7
429.30081	98.6
430.30457	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03326	1.2
59.01250	100.0
60.01594	1.4
69.23512	1.1
69.23923	3.8
71.01254	13.7
71.01616	0.9
71.04896	1.5
72.99184	1.2
73.02834	1.8
80.84426	0.5
83.01272	1.4
83.04895	0.6
85.02836	3.3
85.99982	0.5
87.00760	1.4
89.02314	14.0
89.02835	0.9
95.01305	0.7
97.02860	0.5
98.20496	1.2
99.00792	0.5
99.04435	2.7
99.05010	0.5
101.02319	7.9
113.02338	6.0
119.03388	6.3
121.06554	0.6
123.08033	0.5
124.01541	0.6
125.53390	0.5
136.05246	0.6
137.09628	3.2
143.03418	1.8
149.04489	0.5
151.07570	0.9
151.11209	1.0
153.09135	2.9
154.09454	1.7
161.04526	2.0
163.11188	0.9
179.05534	3.2
181.12352	0.7
195.13936	1.3
197.15581	0.6
203.05522	1.0
205.12349	1.6
206.12656	0.7
207.12984	0.8
223.13460	1.5
225.14929	12.9
226.15372	0.8
267.16058	1.2
283.22339	0.5
309.04059	3.7
358.15857	0.6
359.16129	1.8
367.04874	0.6
391.11673	0.5
429.08725	1.7
429.20331	0.8
429.25912	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01743	1.7
57.03330	1.8
58.00469	2.9
59.01252	63.0
60.59346	1.3
61.98689	2.4
69.03330	2.1
69.80324	2.8
69.80712	3.5
71.01254	34.7
72.99169	4.2
73.02803	1.5
83.01258	2.0
85.02823	9.7
87.00758	2.6
89.02312	22.7
95.01247	2.4
98.19769	1.1
99.00755	1.7
99.04395	1.8
101.02322	18.4
108.02060	2.5
113.02334	13.0
119.03394	9.8
120.01133	2.8
123.04391	1.5
126.33979	1.3
133.58426	1.2
135.11684	2.5
142.01157	1.3
143.03407	1.4
149.04526	1.8
152.01042	2.0
167.03447	1.5
179.05426	1.4
179.10680	14.5
197.11627	1.6
249.14908	9.1
267.16095	8.3
309.20627	2.2
411.17749	1.5
429.21237	100.0
430.21567	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10477	0.4
57.58493	0.3
57.58880	0.4
59.01251	100.0
60.01589	1.4
98.19815	1.2
147.55789	0.4
150.00485	0.4
174.52348	0.4
191.03479	1.7
219.02875	1.0
235.02533	1.7
242.68121	0.4
247.28140	0.5
255.18265	0.4
263.02060	1.3
293.21222	6.0
294.21518	0.7
334.79544	0.5
355.06802	0.5
383.06308	1.1
409.74210	0.4
415.58368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
71.51684	0.5
71.52132	0.7
74.96108	0.5
99.92451	5.5
100.92667	0.4
100.93236	3.3
115.91963	100.0
116.91972	7.2
116.92749	7.1
126.40292	0.6
132.92259	1.0
172.95403	5.1
196.67720	0.5
197.64815	0.6
229.36288	0.5
255.23221	0.7
272.91144	0.5
312.00760	0.6
383.84839	0.5
429.19611	3.7
429.30438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92401	1.1
59.01252	100.0
61.98701	2.8
71.01255	2.9
71.34448	1.3
71.52036	1.9
85.23422	1.2
85.66344	1.1
87.00761	1.6
101.02335	1.3
178.81609	1.0
240.70316	1.1
429.25009	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
57.03318	0.6
58.00466	1.0
59.01251	100.0
60.01584	1.2
61.98691	0.6
69.03343	0.4
69.50322	1.3
69.50745	1.0
71.01256	13.5
72.01614	0.4
72.99184	1.0
73.02809	2.0
83.01280	0.9
83.30367	0.3
85.02826	3.0
87.00758	1.5
88.56507	0.3
89.02319	17.3
90.02670	0.6
95.01286	1.0
98.19837	0.5
99.00763	0.7
101.02322	8.0
108.02046	0.5
113.02333	5.4
119.03399	7.1
119.04253	0.5
125.02315	0.5
131.03403	0.7
137.09613	2.6
143.03429	1.2
149.04506	0.7
151.03897	0.6
151.11230	0.4
152.01074	0.7
161.04501	2.4
162.02225	0.5
169.06824	0.4
179.05519	2.6
191.63231	0.3
223.13338	0.6
225.14912	1.4
267.12408	0.7
267.16019	0.4
309.04068	0.5
312.88669	0.3
343.22073	0.3
369.19330	1.0
387.20255	2.9
409.72171	0.3
429.21521	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01608	1.3
70.26340	2.9
71.01247	4.3
72.99172	1.0
74.10555	0.8
88.45061	0.8
91.03851	1.1
115.00243	2.4
133.01300	1.2
191.03386	3.6
193.01219	1.7
219.02924	3.3
231.02930	0.8
235.02397	3.3
235.16920	3.9
263.01813	2.6
265.03482	0.9
275.20114	5.7
293.02844	1.9
293.21249	5.5
311.22278	9.4
312.22672	1.1
383.06250	1.8
409.22427	0.9
427.28479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01257	3.2
61.98697	1.5
63.90572	0.4
71.01254	2.0
71.32104	0.6
72.86067	0.4
75.00745	1.3
83.04955	0.4
86.68836	0.4
87.00759	0.5
89.02283	0.5
91.50044	0.4
97.02817	0.5
97.06454	1.9
113.09618	2.2
115.00259	0.7
115.07523	1.1
117.01787	1.2
123.04401	0.4
125.05977	0.6
126.06756	0.6
135.02917	2.2
139.11105	0.6
141.09122	1.4
151.11166	0.6
163.11316	0.4
165.12811	3.3
167.10770	0.5
167.14359	1.5
176.96677	0.4
181.12262	4.4
183.13916	0.6
191.03416	2.1
193.01370	0.8
193.12283	1.6
195.13812	1.7
196.54956	0.4
203.03426	0.4
205.01485	0.5
211.13412	3.3
213.14923	0.9
219.02957	1.4
221.15398	1.7
229.14336	0.8
231.03050	0.6
235.02417	1.9
239.12901	0.5
240.13716	1.4
241.14326	0.6
247.20747	2.8
263.01944	2.1
263.20227	0.5
265.03506	0.5
265.21616	0.6
273.18622	1.7
281.21161	1.3
291.19672	27.9
292.20065	3.4
309.20709	100.0
310.21060	9.5
311.21802	0.5
383.06183	0.8
396.48462	0.4
427.23404	12.0
428.23404	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	427.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89526	0.5
55.95647	0.4
57.03315	0.6
57.72318	0.4
59.01254	24.5
69.77666	2.0
71.01255	20.7
72.99186	5.7
74.90582	0.4
83.04889	0.4
99.00756	0.9
115.00263	4.6
127.11129	0.7
129.09076	0.7
133.01343	1.6
149.24899	0.5
153.12727	2.2
169.12256	1.3
171.10184	0.6
181.12267	7.9
191.03383	1.7
194.27528	0.5
197.11734	0.9
199.13330	1.2
215.12840	0.8
216.88747	0.5
219.02942	1.3
228.13666	1.2
235.02496	1.2
247.20392	0.5
249.22279	0.7
263.01947	1.4
275.20047	0.9
293.03146	0.5
293.21249	8.3
294.21429	1.1
309.20718	1.4
311.22272	100.0
312.19000	0.9
312.22586	11.2
321.24530	0.9
347.22388	0.5
367.48807	0.5
409.22226	1.8
427.23294	0.6
452.05902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	56.5
61.98698	0.8
71.01257	22.5
71.52211	0.6
72.99178	5.7
74.98800	0.5
89.02319	0.7
91.03880	1.3
97.06472	0.5
105.08807	0.5
114.99490	0.6
115.00266	12.0
118.89877	0.6
122.29384	0.6
125.09601	2.0
133.01337	5.1
139.11111	0.6
141.09117	1.2
144.39633	0.6
155.14352	0.8
157.12303	0.6
171.10124	1.8
179.76053	0.5
183.13699	0.6
191.03450	2.9
193.01241	0.7
195.13809	1.5
199.09633	0.7
200.10466	1.0
204.35832	0.6
219.02927	2.4
229.11020	0.5
235.02451	2.4
236.02649	0.6
249.22145	1.3
263.01965	1.5
265.03552	0.9
265.21719	1.6
267.23315	0.9
275.20209	1.9
293.02985	0.7
293.21228	10.1
294.21365	0.9
311.22275	100.0
312.22589	11.5
355.06818	0.7
365.23193	0.9
409.22418	2.8
410.23007	0.6
427.23273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12331	0.3
59.01247	2.9
60.19493	0.3
61.92675	0.3
61.98692	0.8
66.53050	0.3
69.34534	0.3
70.54076	1.2
71.01251	30.6
72.01581	0.4
72.99180	10.7
87.00792	0.4
91.21989	0.3
92.84715	0.3
97.06437	0.3
99.92442	0.4
103.75900	0.3
105.04971	0.3
113.09553	0.4
115.00255	18.7
115.07526	0.8
116.00614	0.5
121.02850	2.1
127.07568	0.7
128.08350	0.5
133.01317	9.8
154.09955	0.3
165.12775	0.4
167.14284	2.0
183.13860	1.6
191.03406	1.0
195.12054	0.6
195.13824	7.9
196.14091	0.6
211.13333	0.5
213.14934	0.9
219.02890	0.9
231.02895	0.4
235.02405	0.8
241.14464	0.4
242.15164	1.1
249.03851	0.3
249.22383	0.6
263.01895	0.8
265.21860	0.4
267.23193	0.4
275.20239	0.6
283.22806	0.7
284.72110	0.3
293.21246	6.7
294.21503	0.6
311.22266	100.0
312.22641	9.7
313.07108	0.6
321.24384	0.6
347.22495	0.9
365.23276	1.4
383.06055	0.5
404.44897	0.4
409.22336	5.0
410.22745	0.9
427.10535	0.6
427.23206	2.0
428.23624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31874	0.6
56.74770	0.7
59.01250	100.0
60.01590	1.7
65.05907	0.8
71.01254	8.5
71.52306	1.3
72.99174	1.8
78.95773	1.1
112.42392	0.7
115.00266	2.5
124.45277	0.7
133.01340	2.1
136.98781	0.7
153.50047	0.8
165.12709	1.0
167.10612	0.9
167.96214	0.9
205.05098	1.3
209.11806	0.9
233.04512	1.6
247.20634	1.4
273.18820	1.1
289.17984	1.0
291.19705	9.0
292.20032	1.2
307.19092	0.8
309.20703	34.7
310.21143	4.7
409.31308	0.9
425.07672	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
58.53523	0.3
59.01252	32.8
60.01580	0.4
71.01251	8.5
73.02827	4.0
79.92320	0.3
83.01265	1.4
85.02818	3.7
86.00007	0.5
87.00744	0.5
89.02328	1.8
91.46410	0.3
95.01308	0.5
97.02825	0.5
99.00778	1.2
99.04421	0.5
101.02343	5.0
109.02830	1.5
109.06474	2.4
111.04401	0.4
111.08058	0.5
113.02347	3.4
123.08022	0.8
125.02390	0.5
125.06000	0.6
125.09595	2.6
131.03461	0.5
133.06506	0.9
135.08052	3.2
136.05206	1.0
137.05980	7.7
137.09627	1.0
139.07524	0.6
143.03377	0.4
151.07558	15.8
151.11189	0.5
152.07950	0.8
153.09122	100.0
154.09454	5.8
159.02888	0.4
161.04453	1.8
161.09557	0.6
165.09145	6.2
167.10651	0.6
177.12766	1.5
179.10724	1.0
187.11209	1.5
188.08324	0.5
203.05513	1.1
203.10777	0.4
204.11453	0.4
205.12285	47.2
206.12584	4.2
207.10324	0.8
223.13359	26.6
224.13713	2.0
233.11923	0.6
235.02550	0.5
289.53018	0.4
297.13458	1.2
300.99686	0.4
315.14471	3.9
357.15555	36.4
358.15939	4.8
409.18793	3.3
426.90765	0.4
427.19791	1.9
427.97385	0.4
428.20160	0.5
445.31686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01577	1.6
61.94120	1.0
71.01250	12.8
71.51280	1.2
72.99167	4.3
81.97542	1.0
104.23842	0.9
115.00257	3.1
131.75948	1.0
151.11093	1.0
153.12717	2.1
164.30266	1.0
165.12904	1.2
197.11804	1.0
205.04884	2.1
207.13902	1.3
233.04515	2.0
248.72157	1.0
277.64413	1.0
291.19666	14.0
292.19858	1.7
309.20703	50.6
310.21164	5.4
322.80988	1.0
359.53073	1.0
407.20856	1.2
425.07172	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	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39389	0.4
53.45800	0.6
59.01243	1.1
70.38932	1.6
71.01256	35.0
72.99184	8.9
87.00755	0.5
95.87080	0.5
96.87659	0.5
97.02807	0.5
97.06467	0.9
113.09618	0.9
115.00259	14.2
115.07539	0.8
118.19232	0.5
121.32205	0.5
123.08057	0.5
125.06030	0.6
133.01337	7.8
141.09108	0.8
151.07568	0.4
163.11246	0.6
165.12770	2.1
167.14282	1.0
181.12282	1.8
183.13857	1.0
193.12294	0.8
195.13847	1.9
211.13280	2.1
221.15332	1.0
237.14836	0.7
240.13548	1.1
247.20663	1.5
273.18573	2.2
281.20990	0.6
291.19687	22.4
291.37332	0.5
292.20041	2.2
309.20715	100.0
310.21082	10.7
345.20935	0.6
363.21646	0.7
407.20935	3.8
408.21161	0.6
425.21899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
58.39358	0.3
59.01241	1.9
67.89506	0.3
70.04717	1.3
71.01254	23.1
72.99183	6.1
73.99517	0.3
75.19616	0.4
83.04930	0.4
85.55760	0.3
87.00729	0.6
95.04928	0.3
99.00763	0.8
109.06471	1.0
111.08050	1.5
115.00259	4.9
123.08025	0.4
125.09593	0.7
127.11208	1.3
129.09140	0.4
133.01335	1.1
151.11163	0.6
153.09120	0.4
153.12756	3.0
155.10619	1.1
165.12735	0.5
167.10683	1.4
169.12187	0.5
179.10696	0.7
179.14322	1.5
181.12247	3.1
183.13956	0.4
193.15816	0.4
197.11723	2.2
199.13274	1.0
205.04927	0.4
207.13893	1.5
215.12910	1.2
225.78845	0.3
227.12805	0.8
228.13550	1.1
233.04320	0.4
241.14442	0.5
247.20630	3.3
263.20169	0.7
273.18677	1.8
281.21219	0.9
291.19678	21.1
292.20056	2.4
305.03113	0.4
307.19202	0.9
309.20706	100.0
310.21051	11.1
319.22635	0.9
351.04196	0.5
353.08795	0.4
407.20844	1.8
425.07266	0.7
444.27768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77605	0.6
51.90538	0.6
57.03302	1.3
59.01248	3.0
59.41686	0.6
61.73271	0.5
61.98674	0.9
62.39986	0.6
67.36980	0.6
70.85875	0.6
71.01253	37.4
72.99178	11.3
82.26570	0.6
83.04906	0.7
87.00759	0.9
97.02843	1.1
97.06446	0.9
109.06482	0.8
115.00243	10.2
116.19012	0.6
119.35048	0.6
123.08028	1.1
125.09600	1.9
163.11180	3.3
165.12695	4.9
165.83806	0.6
171.10239	1.0
179.14363	1.7
181.12335	1.4
193.15862	1.5
205.05016	0.9
207.10031	0.8
209.11714	1.0
223.13335	2.1
233.04543	1.4
235.13220	1.0
247.20639	7.2
259.02368	0.8
260.46558	0.7
273.18588	1.9
291.19650	49.5
292.19980	5.9
309.20703	100.0
310.21017	11.4
332.99023	0.7
366.96204	0.6
398.61835	0.6
407.20721	5.6
408.21164	0.8
425.07813	1.1
425.21793	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	425.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73264	1.8
53.83783	1.9
57.03321	3.1
59.01251	100.0
60.71054	2.0
62.07970	1.9
70.85844	3.6
70.86179	2.7
71.01253	34.2
72.99199	2.2
73.02820	23.6
75.00735	3.2
78.95773	2.4
80.10220	2.1
83.01268	7.4
85.02814	13.0
89.02309	4.8
95.01303	3.4
99.00758	2.9
101.02320	22.6
107.04916	2.6
113.02323	9.9
121.06477	4.2
123.04372	4.0
137.09625	40.3
147.08051	6.2
161.04446	3.2
161.09631	3.4
163.11191	78.4
163.12512	4.5
164.11516	4.1
164.63901	2.2
187.07553	9.3
203.10724	90.1
204.11089	6.1
221.11803	23.6
226.92558	2.5
238.38614	2.0
287.12750	2.3
347.14954	30.6
365.16003	53.7
366.16370	7.2
425.18216	63.0
426.18414	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82261	0.7
55.70214	0.8
70.08344	2.8
78.95777	39.6
87.11086	0.7
98.19895	1.0
103.76682	0.7
110.98421	52.0
152.99498	4.4
167.01088	12.3
181.01454	0.8
185.02138	100.0
186.02448	2.3
253.21709	28.6
254.22147	2.6
301.03601	0.8
318.71890	0.8
331.04425	0.9
411.01004	0.9
421.23639	10.4
422.23837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52885	0.7
70.53229	1.3
78.95771	37.9
104.97329	0.6
110.98412	53.5
140.29880	0.5
152.99478	4.8
167.01047	13.8
185.02127	100.0
186.02502	2.1
195.15697	0.5
222.08707	0.5
253.21701	28.2
254.22050	2.3
259.02554	0.5
265.53098	0.5
271.02505	0.7
301.03546	1.5
331.04645	1.4
421.23596	11.6
422.24118	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82239	0.3
61.82928	0.3
62.88598	0.2
66.47631	0.3
70.15873	0.3
70.25548	0.4
70.25970	0.9
78.95776	5.6
110.98412	4.4
167.01057	3.9
185.02151	2.5
246.91847	0.3
250.81920	0.3
255.23270	100.0
256.23611	11.1
423.25146	7.2
424.25491	1.2
425.25537	0.3
444.21292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20291	0.3
70.12205	1.2
78.95773	13.6
104.97372	0.6
110.98415	9.0
137.00031	0.3
167.01071	11.9
185.02141	2.3
237.22066	0.4
255.23271	100.0
256.23596	9.3
292.05542	0.4
423.25162	18.5
424.25323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0778
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
58.21945	1.2
59.01238	3.5
70.79890	0.9
73.48251	1.1
78.95773	3.4
82.80558	1.1
87.10985	1.0
97.03344	0.9
105.07736	1.1
109.02837	4.4
110.98409	4.2
152.99542	1.0
163.00262	2.3
171.04430	1.3
185.02113	6.2
197.00043	1.1
199.03992	1.2
215.03424	4.1
227.03552	1.1
229.05008	1.8
229.21851	1.1
243.02994	5.7
244.03679	1.8
247.52705	1.1
253.21724	1.6
255.02960	2.1
257.00720	1.1
257.94571	1.8
258.01678	25.2
259.02429	34.0
260.02890	2.8
271.02475	38.6
272.03226	34.7
273.03882	12.1
274.04132	1.2
283.02386	1.6
285.03940	8.1
298.01144	4.6
299.01825	1.4
300.02679	1.4
300.52887	3.3
301.03506	100.0
302.03860	8.6
313.03659	5.0
315.05038	2.4
331.04578	63.0
332.04962	6.5
340.89932	1.0
343.04535	1.8
351.08994	1.1
385.05417	1.5
403.06699	8.2
421.07770	45.7
422.08218	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	30.8
80.96395	0.9
94.15663	0.4
96.40736	0.5
110.98414	53.4
152.99519	3.8
167.01082	2.7
170.61838	0.6
185.02129	100.0
186.02454	2.4
203.69771	0.5
253.21706	26.2
254.22032	2.4
259.02664	0.5
294.87534	0.5
301.03491	1.1
331.04526	0.8
421.08099	0.7
421.23553	2.7
433.09964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37873	0.6
70.53529	2.2
78.95774	31.8
81.70567	0.6
110.98412	51.5
137.45407	0.6
152.99467	4.4
167.01074	2.2
185.02127	100.0
186.02467	2.5
253.21703	25.6
254.22054	3.6
275.12976	0.6
301.03500	0.9
331.04544	0.9
421.07718	0.7
421.23758	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	421.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13233	1.2
57.46418	1.1
62.47794	1.4
70.89423	2.3
100.95749	1.4
104.68600	1.2
108.02116	2.3
109.02827	5.0
126.80959	1.4
163.00304	2.6
182.64503	1.3
201.05431	1.5
215.03410	5.4
217.05096	1.4
227.03392	3.7
229.05110	2.0
230.02275	2.5
231.02901	1.5
243.02983	8.1
244.03691	1.9
245.04387	1.8
255.03064	2.4
258.01685	40.7
259.02444	33.5
271.02481	42.2
272.03217	38.1
273.03943	11.8
283.02451	1.8
285.04037	10.2
286.04324	1.8
298.01187	5.9
301.03522	100.0
302.03860	7.6
313.03473	4.8
313.07980	1.2
331.04590	61.7
332.04868	7.7
333.56458	1.5
403.06668	12.2
421.07788	63.0
422.07941	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	421.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77738	0.7
70.05685	2.8
94.59506	0.6
108.40238	0.6
109.02802	1.3
118.05316	0.7
151.00291	1.2
173.61665	0.6
215.03497	1.1
219.19440	0.6
243.02887	1.4
255.29950	0.6
258.01669	24.9
259.02429	20.3
260.02802	2.2
271.02457	20.2
272.03189	14.1
273.04010	11.3
274.04474	1.1
283.02393	1.3
285.03986	6.1
288.02307	0.9
298.01147	1.6
299.01892	1.2
300.02893	0.7
301.03516	100.0
302.03842	8.0
304.02225	1.1
313.03531	9.3
315.05219	0.8
331.04572	61.7
332.04938	6.4
343.04614	1.4
361.05780	0.7
385.05408	1.0
403.06686	4.0
404.07159	0.7
421.07751	36.5
422.08188	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
71.05004	0.4
71.05338	0.7
71.15205	0.3
74.26551	0.3
109.02840	2.3
124.82494	0.4
125.02381	0.4
135.00751	0.4
138.09538	0.3
138.10564	0.4
151.00302	0.4
159.04456	0.7
163.00261	0.6
174.03224	0.5
185.02336	0.3
187.03935	1.1
190.99919	0.4
191.03464	0.4
199.03928	0.8
203.03363	0.5
214.02760	0.4
215.03418	3.3
217.01341	0.6
227.03473	1.1
228.04271	0.6
229.04987	0.8
230.02116	2.9
231.02896	0.7
243.02986	2.3
245.04434	0.5
255.03011	0.8
257.04431	0.8
258.01685	20.6
259.02454	72.8
260.02808	5.4
271.02475	25.1
272.03232	21.5
273.03979	6.8
274.04199	0.6
283.02707	1.6
285.04034	7.6
286.04434	0.7
288.02344	0.5
298.01215	2.5
299.01880	1.4
300.02646	0.4
301.03522	100.0
302.03864	9.7
304.02103	0.4
313.03510	6.3
314.03775	0.7
315.05133	1.8
331.04584	70.6
332.04913	7.1
343.04581	1.7
355.04385	0.5
361.05551	0.6
373.05692	0.8
376.20612	0.4
385.05750	1.1
403.06668	8.0
404.07211	1.0
421.07745	53.2
422.08044	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	421.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97602	0.5
59.01241	0.5
61.61387	0.4
69.46557	3.8
69.82821	0.4
84.91721	0.5
88.17447	0.4
89.76888	0.6
90.29720	0.5
108.02039	0.9
109.02829	4.0
113.03004	0.5
136.33499	0.5
151.00284	0.8
155.85226	0.5
159.04330	0.7
163.00262	1.5
171.04466	0.9
173.05827	0.5
185.05901	0.6
187.03946	0.8
190.99768	0.7
201.05536	1.1
203.03389	0.6
215.03378	3.7
217.01224	0.5
227.03467	2.6
229.01375	0.8
229.04977	2.1
230.02136	1.2
231.03111	0.9
241.04930	0.7
243.02950	5.9
244.03453	1.3
245.04395	0.7
255.03017	1.6
257.04498	1.1
258.01675	25.5
259.02420	32.6
260.02802	2.0
270.01749	1.1
271.02466	39.9
272.03226	31.9
273.04007	10.6
274.04373	0.8
283.02502	1.7
285.04037	10.2
286.04449	1.0
298.01215	4.7
299.02097	1.3
301.03513	100.0
302.03839	8.8
304.02167	0.9
313.03473	6.7
315.05069	2.1
331.04572	64.0
332.05011	6.8
343.04520	2.5
355.04517	0.9
373.05798	0.8
385.05753	0.8
403.06668	7.6
404.07092	1.0
421.07739	43.5
422.08044	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	421.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98703	0.5
54.29321	0.4
65.35499	0.5
69.45178	2.6
78.43457	0.5
109.02833	1.2
109.37659	0.5
133.18282	0.4
139.85698	0.4
142.68657	0.5
151.00174	0.4
154.15742	0.5
171.04390	0.6
215.03410	2.1
227.03455	0.7
230.02275	0.5
243.02946	2.4
244.03314	0.6
258.01678	9.5
259.02420	13.5
260.02933	0.8
271.02460	11.7
272.03204	11.5
273.03964	2.7
285.04034	3.8
288.02350	0.7
298.01129	1.5
299.01843	0.7
301.03519	100.0
302.03845	7.7
313.03665	2.0
315.05057	0.8
331.04575	71.5
332.04999	5.7
343.04608	1.1
361.05426	1.1
373.05588	0.5
385.05582	1.2
403.06665	16.5
404.07050	1.9
421.07739	82.8
422.08038	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	90.6
60.50341	29.0
64.53414	29.1
78.95782	49.5
80.96380	60.1
85.99889	30.1
98.19787	100.0
109.50716	32.4
212.42523	35.1
243.79546	32.1
271.02237	42.4
272.03232	76.7
278.38776	30.8
287.02011	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0776
Annotation	Mangiferin
Peak:m/z	Relative Intensity
55.91488	0.5
64.02799	0.4
69.47952	1.4
69.48371	2.3
71.01216	0.6
83.94877	0.5
93.03330	1.2
95.01273	0.6
107.01212	0.5
108.02030	0.9
108.46282	0.5
109.02843	5.8
111.00739	0.5
113.02357	0.6
116.50010	0.6
117.03322	1.8
123.00745	0.6
124.01495	0.6
125.02352	0.8
137.02342	0.9
149.02412	0.5
151.00270	1.8
157.06471	0.5
161.02304	2.3
163.00252	1.4
164.01064	0.5
165.01772	0.7
165.05550	0.5
166.99562	0.6
183.04372	0.5
187.03949	1.4
190.99750	1.5
191.03435	1.2
199.03883	1.3
201.05466	1.6
203.03395	0.7
214.02534	0.7
215.03439	5.7
216.03903	0.8
216.38878	0.5
217.01289	1.2
217.04965	0.6
226.02664	0.8
227.03473	1.9
228.04117	1.2
229.01387	1.1
229.05000	2.9
230.02168	1.5
231.02890	1.4
241.05132	0.7
242.01979	0.7
243.02954	6.8
244.03624	1.3
245.04544	2.4
255.02966	2.1
256.03610	0.9
257.04507	2.0
258.01672	31.7
259.02438	39.2
260.02826	3.4
261.03741	0.7
270.01392	1.0
271.02475	41.2
272.03226	38.7
273.03976	13.0
274.04434	0.9
283.02490	2.1
285.04037	13.1
286.04373	1.2
298.01193	5.0
299.01868	2.5
299.05167	0.6
301.03516	100.0
302.03903	8.6
303.05292	0.7
313.03561	6.3
315.05051	2.5
325.03473	0.8
331.04578	57.9
332.04959	6.1
339.05246	0.6
343.04483	1.7
365.62103	0.7
373.05536	0.8
385.05569	0.6
403.06659	6.0
404.07358	0.9
421.07724	31.9
422.08051	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.3
57.03322	5.1
58.00460	1.9
58.03676	0.5
58.55678	0.4
59.01251	47.3
60.01586	1.0
67.01736	0.5
69.03321	1.0
69.46152	2.7
71.01253	100.0
72.01605	1.9
72.99184	2.9
73.02818	25.9
75.00739	2.1
78.38706	0.3
81.03323	0.5
83.01257	10.1
84.01625	0.4
84.02087	1.1
85.02824	42.5
86.03159	1.2
87.00748	3.6
87.04403	2.9
89.02315	29.4
90.02711	0.6
95.01266	7.1
97.02818	2.3
99.00755	11.1
101.02322	55.5
102.02660	1.2
111.00786	1.3
113.02330	40.5
114.02685	1.3
118.22086	0.3
119.03388	12.0
125.02309	1.8
129.01836	1.5
131.03391	1.0
138.41583	0.3
139.00371	0.6
143.03384	4.4
149.04443	0.8
155.69763	0.3
159.02899	8.0
161.04466	43.5
162.04823	1.6
179.05562	2.4
205.03548	1.1
223.49628	0.4
254.02119	3.8
255.19672	1.7
282.01715	8.3
282.04697	0.6
283.02225	0.8
297.04037	8.0
297.20825	0.9
298.04575	1.3
319.19965	0.4
417.08255	3.1
417.25027	23.5
418.25296	3.6
431.41022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	87.7
60.90272	4.7
61.98697	4.9
71.01250	68.0
71.53136	6.3
72.87572	4.5
72.99173	8.4
73.02815	13.1
75.00753	6.4
78.95772	10.1
80.48535	5.4
81.50274	4.5
85.02823	27.6
88.71714	5.1
89.02325	52.2
91.03890	9.9
95.01215	6.3
99.08014	6.0
101.02324	47.8
113.02344	26.5
117.43635	5.5
119.03397	24.0
121.10107	6.1
125.02341	6.0
161.04457	27.2
171.10159	32.6
179.05544	6.3
193.12230	9.3
211.13306	7.6
225.14865	12.5
243.15785	6.2
343.24872	100.0
344.25061	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.6
57.03334	3.9
58.00475	2.7
59.01252	65.8
60.01577	1.2
66.33105	0.5
68.99699	0.6
69.03342	0.8
69.39640	4.4
71.01254	100.0
72.01608	1.5
72.99171	3.9
73.02820	25.9
75.00758	1.9
83.01260	10.8
84.02026	0.8
85.02824	40.9
86.03170	0.7
87.00751	4.0
87.04380	1.9
87.83927	0.6
89.02319	40.3
90.02651	0.8
95.01263	7.8
97.02838	2.2
98.20589	1.2
99.00767	9.6
100.39864	0.7
101.02324	71.4
102.02647	1.7
104.25480	0.6
110.84995	0.5
113.02332	39.8
114.02644	1.0
119.03388	16.6
120.03661	0.7
125.02380	1.9
129.00163	0.6
129.01871	1.0
131.03400	2.0
134.07353	0.6
143.03403	6.4
149.04529	1.5
152.29672	0.7
159.02916	9.2
160.03288	0.6
161.04472	48.6
162.04839	2.0
179.05542	4.5
205.03612	1.5
255.19656	3.6
417.24945	42.9
418.25308	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71372	1.6
53.00547	1.9
57.03329	2.7
59.01250	100.0
61.02876	1.7
70.20583	1.8
71.01261	32.9
71.51788	3.7
72.99189	3.2
73.02821	4.8
78.75375	1.9
83.01244	3.9
85.02802	12.0
89.02318	29.7
95.95101	1.6
99.00720	1.9
101.02330	23.2
113.02320	13.2
119.03385	11.9
131.03329	1.9
139.85718	1.6
141.50539	2.2
143.03409	2.7
161.04483	26.4
177.09108	3.7
179.05521	7.7
187.98979	1.9
191.93434	1.9
195.10168	2.6
271.11038	2.0
357.15509	23.5
358.16125	2.6
417.17258	3.3
432.05905	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15602	16.2
55.05387	16.0
59.01255	100.0
68.97945	18.9
71.01224	16.3
71.52473	21.6
89.02303	21.1
103.47533	16.8
133.02721	20.4
303.26874	18.0
417.30618	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Itoside I
Peak:m/z	Relative Intensity
50.83422	0.2
56.20190	0.2
59.01241	1.1
60.53184	0.2
71.01253	0.7
73.02838	0.2
81.03337	0.3
89.02328	0.8
91.01756	0.3
97.02850	0.2
101.02342	0.8
103.03892	0.6
108.02061	1.9
109.02834	100.0
110.03164	3.4
119.03387	0.3
122.82437	0.1
125.02334	0.8
148.59566	0.2
163.06058	0.6
181.08652	0.3
181.49004	0.2
247.08070	0.2
307.10376	0.7
417.14017	1.7
420.81833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.5
57.29020	1.3
58.00460	1.4
58.96561	1.3
59.00954	2.8
59.01251	47.5
71.01251	33.8
72.99174	2.4
73.02824	4.3
83.01251	2.5
85.02808	7.6
89.02312	25.0
92.70099	1.4
95.01245	3.7
101.02319	22.5
101.52834	1.4
108.02052	3.9
109.02837	22.5
113.02332	11.6
119.03387	9.5
131.03319	1.4
138.06778	5.3
139.07494	2.8
141.09071	2.0
150.13771	1.3
155.97607	1.3
162.66011	1.4
167.03404	13.5
167.18686	1.7
182.05765	49.0
183.06209	4.8
191.78255	1.5
211.13322	1.5
259.05695	1.7
277.45584	1.4
289.43900	1.6
334.20090	1.5
373.18643	3.2
417.17627	100.0
418.18005	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	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86107	3.2
59.01250	100.0
65.00202	4.0
69.62697	18.3
74.43633	3.1
88.65116	3.6
98.19872	7.3
100.71902	2.9
103.18083	3.3
150.36430	3.5
249.15346	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01595	1.3
61.98702	0.4
69.43571	1.7
69.44003	1.9
71.01243	1.9
73.02804	0.5
73.93969	0.5
75.00731	0.5
80.82524	0.4
85.02844	0.8
86.64187	0.5
89.02342	0.8
90.24682	0.4
93.48275	0.4
99.00755	0.4
101.02352	1.3
103.95207	0.4
109.02847	0.5
113.02363	1.0
114.09155	1.6
130.08676	1.0
132.39766	0.4
151.05237	0.4
161.04448	2.0
171.15004	0.5
179.91110	0.4
284.70303	0.4
356.29196	15.2
357.15692	1.3
357.29706	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13284	0.6
54.05703	0.6
54.58288	0.7
55.01763	1.8
56.25270	0.6
57.03330	1.7
58.00462	5.1
59.01250	99.7
60.01577	1.5
60.99149	0.7
61.98698	3.3
61.99928	0.7
65.32956	0.6
67.22735	0.7
69.03338	0.8
71.01253	82.5
72.01612	0.9
72.99185	8.5
73.02821	3.5
81.03355	1.2
81.69620	0.7
83.01250	2.6
83.04918	1.0
85.02821	16.7
87.00738	4.7
89.02316	100.0
90.02648	1.6
93.55418	0.8
95.01266	4.1
97.02807	0.9
98.20579	1.2
99.00764	1.5
101.02324	41.2
102.02678	1.0
113.02332	33.2
114.02636	1.0
115.00263	0.7
115.03848	0.7
117.85183	0.6
119.03391	34.3
120.03715	1.2
125.02293	2.0
131.03406	3.7
143.03392	4.6
149.04437	2.8
161.04445	6.6
175.02394	1.6
177.84921	0.6
179.05544	7.9
211.13416	3.8
264.99783	0.6
271.02371	0.9
272.03177	2.1
355.17386	1.1
373.18408	1.8
396.22159	0.7
415.09882	1.6
415.14865	1.1
415.18942	3.8
416.19852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Dendroside C
Peak:m/z	Relative Intensity
52.54481	1.1
55.01749	3.8
57.03328	4.4
58.00469	5.3
59.01249	97.8
60.01582	1.7
69.03323	1.5
70.53973	1.8
70.54323	1.1
71.01251	100.0
72.01591	1.3
72.99182	8.6
73.02820	14.0
75.00763	1.4
81.03322	0.9
83.01256	10.0
85.02822	29.1
87.00751	5.4
89.02315	81.1
90.02665	2.3
95.01263	7.8
97.02811	2.1
99.00764	6.8
101.02320	66.5
102.02682	1.4
111.00751	1.8
113.02328	39.6
114.02679	1.5
119.03381	42.7
120.03734	1.4
125.02332	2.5
130.69060	0.9
131.03415	5.1
138.19090	0.9
143.03397	6.8
149.04469	2.6
159.02907	2.8
161.04468	19.8
162.04893	1.3
163.93787	0.9
179.05534	11.0
195.01059	1.2
209.02586	0.9
211.06021	1.0
235.08197	1.3
266.81433	0.9
267.16104	1.0
327.18250	1.7
327.22131	0.8
345.19299	1.3
415.14380	2.1
415.23322	36.1
416.23734	5.7
416.28601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.8
64.94737	0.5
74.98975	5.8
77.00537	77.4
78.00880	0.9
147.08046	2.6
149.09608	1.9
160.08757	0.6
163.11174	2.6
168.62181	0.6
172.04344	0.6
187.11185	2.2
229.50314	0.7
265.85068	0.5
279.13876	0.9
280.14679	1.2
307.17188	0.8
309.22290	2.1
321.18201	0.5
322.19205	0.7
337.21732	100.0
338.22052	15.5
374.60266	0.5
415.14600	0.6
415.23111	12.0
416.23495	1.7
416.83200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13284	0.6
54.05703	0.6
54.58288	0.7
55.01763	1.8
56.25270	0.6
57.03330	1.7
58.00462	5.1
59.01250	99.7
60.01577	1.5
60.99149	0.7
61.98698	3.3
61.99928	0.7
65.32956	0.6
67.22735	0.7
69.03338	0.8
71.01253	82.5
72.01612	0.9
72.99185	8.5
73.02821	3.5
81.03355	1.2
81.69620	0.7
83.01250	2.6
83.04918	1.0
85.02821	16.7
87.00738	4.7
89.02316	100.0
90.02648	1.6
93.55418	0.8
95.01266	4.1
97.02807	0.9
98.20579	1.2
99.00764	1.5
101.02324	41.2
102.02678	1.0
113.02332	33.2
114.02636	1.0
115.00263	0.7
115.03848	0.7
117.85183	0.6
119.03391	34.3
120.03715	1.2
125.02293	2.0
131.03406	3.7
143.03392	4.6
149.04437	2.8
161.04445	6.6
175.02394	1.6
177.84921	0.6
179.05544	7.9
211.13416	3.8
264.99783	0.6
271.02371	0.9
272.03177	2.1
355.17386	1.1
373.18408	1.8
396.22159	0.7
415.09882	1.6
415.14865	1.1
415.18942	3.8
416.19852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	7.5
57.03329	5.4
58.00469	2.0
59.01251	44.0
69.03319	2.9
71.01254	82.1
72.01595	0.8
72.99184	4.3
73.02818	32.8
75.00736	1.2
81.03331	2.5
83.01258	26.1
83.04906	0.5
84.01590	1.0
84.02058	0.7
85.02825	42.7
85.99957	1.0
86.03184	0.9
87.00754	3.7
89.02319	9.4
95.01258	5.9
97.02832	3.7
99.00760	12.1
99.04395	1.0
101.02325	72.3
102.02680	1.6
103.03882	5.7
107.04937	0.7
108.02067	1.8
109.02856	2.0
111.00751	0.8
113.02332	28.2
114.02679	0.8
115.03950	0.6
119.03374	2.2
123.00785	0.5
125.02340	7.2
129.01843	1.1
131.03391	0.7
135.16803	0.4
143.03410	6.2
145.04990	1.8
151.03978	0.4
152.01059	1.2
153.01839	1.9
159.02893	6.8
161.04466	59.2
162.04846	1.8
163.06035	2.8
167.03497	2.2
176.48946	0.4
205.03513	3.0
229.07144	2.2
247.08205	4.0
269.10297	100.0
270.10669	9.4
295.08252	2.9
325.09344	0.9
415.16251	26.8
416.16678	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	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09904	0.7
55.01757	3.1
57.03314	2.7
58.00465	4.6
59.01251	100.0
60.01589	1.6
69.03332	2.9
71.01254	74.6
72.01593	1.2
72.99179	6.1
73.02814	7.5
75.00761	1.0
81.03316	1.5
83.01258	6.5
85.02824	13.6
87.00750	12.4
89.02318	76.8
90.02685	1.2
91.03909	0.7
95.01271	3.4
97.02821	7.5
98.19749	1.1
99.00759	3.8
101.02322	56.4
102.02673	1.4
111.00752	0.9
111.04395	0.8
113.02331	26.3
114.02619	0.8
119.03386	25.7
125.02333	12.2
131.03394	3.4
143.03416	9.3
143.09315	0.7
149.04448	2.9
161.04449	11.4
162.04776	1.1
171.22687	0.8
171.53145	0.7
179.05537	22.1
185.04538	1.9
221.06610	6.0
235.08182	11.9
251.95160	0.7
253.09323	7.9
263.07614	5.1
287.07898	2.4
294.32617	0.8
305.08792	3.2
323.09805	1.8
415.14560	82.4
416.14816	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	413.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.5
60.08793	0.8
61.98698	4.2
71.01256	2.1
72.99172	2.2
75.00745	33.6
87.00723	1.4
89.02311	5.4
92.28058	0.9
98.20657	2.3
113.09633	1.2
117.01830	1.3
135.02888	35.5
135.52052	0.8
195.13861	12.2
197.74898	0.9
221.00955	1.2
246.20255	1.0
277.21692	10.0
278.22122	1.0
295.22769	100.0
296.23138	10.7
301.20624	1.0
335.70810	1.0
353.18777	1.0
411.23593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21717	3.2
59.01252	100.0
59.50718	3.2
60.58574	2.8
69.52862	17.4
148.08501	2.6
151.43645	3.4
425.20602	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14855	2.6
59.01252	100.0
59.62164	2.7
61.05552	3.1
63.18658	2.5
68.63942	2.5
70.53305	6.3
70.53658	3.4
121.28634	2.7
126.30203	2.7
144.03987	2.8
150.89774	2.9
171.26233	3.3
218.64034	2.7
260.40198	3.4
317.21188	2.9
355.70926	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03311	0.7
59.01250	100.0
60.01587	1.3
61.12439	0.5
69.29611	2.6
69.30036	1.6
71.01250	8.4
71.01617	0.6
73.02821	3.7
82.27858	0.5
83.01266	1.4
85.02819	3.7
87.00760	0.5
89.02324	2.2
91.03331	0.4
99.00768	0.8
101.02317	4.8
113.02328	4.3
119.03450	0.6
159.02884	0.9
161.04411	3.1
185.59912	0.5
199.07692	0.5
206.28273	0.4
209.15433	1.5
293.04684	0.7
353.19672	2.5
371.20746	8.5
372.21082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42938	2.6
59.01251	100.0
67.94109	2.9
69.37799	7.6
69.38219	17.9
103.19373	3.5
108.60261	3.0
117.13798	3.1
141.90076	3.6
208.19763	3.4
259.75739	3.1
388.62802	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01252	100.0
60.01585	1.1
67.52882	0.2
69.40469	0.5
69.40871	1.2
71.01253	4.4
72.99170	0.2
73.02831	1.3
80.96387	1.4
83.01283	0.8
85.02831	2.6
88.37572	0.2
89.02335	0.9
95.01308	0.3
99.00763	0.6
101.02311	2.9
113.02323	1.8
117.03326	1.8
119.03447	0.3
131.01311	0.5
137.70560	0.2
159.02963	0.4
161.04466	1.2
173.02400	0.8
175.00249	1.4
209.15485	0.9
293.04568	10.6
294.05002	1.0
344.87030	0.2
353.19641	1.1
371.20804	3.6
372.20917	0.5
413.08795	3.8
413.20972	0.3
414.09506	0.5
421.62042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58625	0.5
52.78895	0.6
57.82852	0.6
59.01253	2.3
61.98687	0.7
71.01247	1.4
71.31927	1.3
74.56754	0.5
75.00771	0.8
89.00129	0.6
106.17985	0.6
107.04946	0.8
108.86617	0.6
111.08060	0.7
117.01855	1.5
126.38297	0.6
126.42543	0.6
135.02921	1.0
147.04370	0.8
179.14233	1.4
189.01846	1.2
191.03407	1.3
195.13820	8.6
196.14200	0.8
203.03511	0.7
205.12265	0.8
219.02829	4.4
223.13353	7.3
247.02417	2.5
249.03958	1.1
256.13049	1.8
265.21594	0.9
275.20203	4.8
277.03421	1.3
291.01514	1.0
293.21222	100.0
294.21573	8.9
366.97470	0.7
411.05743	1.4
411.23907	6.4
412.24313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01257	18.5
73.02818	16.1
81.03337	10.5
83.01255	6.4
83.04897	21.5
84.95274	1.5
85.02818	3.6
87.00747	2.0
89.02323	5.7
93.03326	2.0
100.07561	4.2
101.02322	16.1
108.33174	1.5
109.02806	1.8
112.34678	1.8
113.02339	9.0
118.40987	1.6
119.03380	3.0
137.02347	2.1
137.09616	6.2
143.03320	1.9
161.04430	2.8
191.03412	2.2
199.18135	2.0
219.02916	11.1
243.17068	6.8
245.23532	1.6
247.02394	5.1
249.03952	2.4
273.43811	1.6
316.56433	1.8
411.05853	2.1
411.27396	49.2
411.77499	20.7
412.27545	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98698	1.6
62.11117	1.2
69.55994	1.1
69.90417	1.1
71.01253	21.5
71.51659	1.6
72.99190	1.7
73.02821	13.5
81.03336	4.9
83.01258	3.6
83.04899	11.3
85.02827	4.3
87.00756	1.8
89.02322	4.9
95.01255	1.6
98.20106	1.3
100.07555	1.8
101.02322	15.1
109.02855	2.2
113.02347	9.3
119.03413	1.7
125.02261	1.4
131.03351	2.0
137.09650	6.1
147.04434	1.4
161.04472	3.9
184.87518	1.1
191.03352	3.6
199.18149	1.4
203.03375	1.6
219.02957	8.5
225.15977	1.7
243.17090	3.2
247.02353	3.4
249.04187	1.6
265.20624	1.4
277.03690	1.3
277.27097	1.4
367.06699	1.5
411.27441	32.1
411.77591	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	411.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
58.00430	0.6
59.01248	23.8
60.01588	0.5
67.01756	1.2
68.99683	3.1
69.03319	1.4
71.00891	0.9
71.01252	9.0
71.52148	0.4
72.99175	0.9
73.02828	2.1
83.01263	1.8
85.02822	7.1
87.00745	3.1
89.02302	2.5
91.03886	1.3
93.03281	0.5
95.01274	2.0
97.02840	0.9
101.02316	3.2
103.05455	0.5
109.02827	1.5
111.00768	2.4
113.02326	8.0
119.04913	1.0
129.01855	0.8
137.09561	0.6
139.00279	1.9
147.04416	100.0
148.04745	4.6
157.01321	1.1
169.04953	0.7
189.01833	0.6
189.03918	0.8
191.03479	1.0
219.02985	2.2
231.05096	1.2
247.02647	0.6
249.04010	0.8
263.07706	21.5
264.07956	1.0
306.48981	0.6
320.11932	0.5
356.50729	0.6
372.94598	0.7
379.10214	1.0
411.12936	24.9
412.13428	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
56.32791	0.3
57.03325	3.0
58.00461	1.5
59.01252	30.9
60.01579	0.4
62.80257	0.3
63.67049	0.3
68.99695	0.4
69.03335	1.0
69.21812	3.2
71.01254	42.6
72.01588	0.9
72.99181	2.6
73.02821	18.1
74.03156	0.4
74.98978	0.8
75.00751	1.0
81.03340	0.9
83.01257	16.4
84.02048	0.4
85.02824	23.7
85.99990	1.5
86.03169	0.7
87.00750	2.3
89.02321	5.5
92.32890	0.3
95.01262	2.3
97.02846	1.5
99.00761	8.4
99.08060	1.0
100.01110	0.4
101.02324	50.8
101.09598	0.5
102.02662	1.2
103.03888	2.1
111.00775	1.1
113.02332	18.5
114.02669	0.7
119.03400	1.7
125.02352	1.5
127.03859	0.4
129.01848	1.0
143.03351	2.1
145.04979	1.0
148.93298	0.3
159.02892	3.5
161.04466	20.0
162.04796	0.7
163.05984	1.0
171.10229	0.5
205.03477	1.0
205.12115	0.5
229.07095	0.9
247.08218	1.1
255.27658	0.3
263.14984	100.0
264.15363	7.7
307.14029	1.4
349.18668	0.5
409.15729	1.1
409.20764	23.9
410.21121	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	408.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	23.3
61.98705	100.0
66.86803	2.6
71.01254	6.0
71.52516	4.3
78.95779	15.7
80.96375	13.0
88.48859	2.9
89.54288	3.2
101.02329	4.4
114.31339	3.0
115.79393	3.3
139.17482	3.3
171.10254	5.7
197.55980	3.2
208.20088	3.2
268.95670	3.2
326.20563	5.2
408.17950	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01250	1.2
64.39867	0.4
78.95776	100.0
96.96844	9.9
98.19827	0.9
114.65939	0.5
124.79439	0.4
125.74218	0.4
150.97910	1.8
152.99496	83.0
153.99864	1.5
171.00563	63.0
172.00932	1.6
196.08978	0.5
245.24405	0.5
279.11078	0.4
287.02191	0.6
296.72458	0.4
298.12558	0.4
310.24387	0.5
375.10989	0.5
407.06552	0.5
407.21854	2.7
423.27121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41647	0.9
61.69860	0.9
65.00191	4.1
69.03365	1.2
69.11234	0.8
70.80650	2.0
79.01775	1.7
81.03313	4.7
83.01250	3.0
91.08375	0.9
93.03339	11.2
95.01283	1.6
97.02798	4.7
107.01261	2.9
109.02838	2.1
117.03355	9.8
121.02833	4.7
123.00813	0.9
123.04411	0.9
125.02330	13.7
127.40335	0.8
135.04405	4.3
137.02350	4.0
149.02357	2.7
151.00272	7.1
155.03481	1.1
159.04488	5.0
161.02335	9.1
163.00281	2.9
165.01839	5.8
167.03413	5.2
171.07976	1.2
173.05981	1.5
175.56995	0.9
177.05481	1.6
193.01366	9.2
194.01535	1.0
197.06044	1.0
200.04797	1.4
201.05539	5.7
215.07080	2.9
219.06622	1.7
223.02458	2.2
233.44586	0.9
239.59433	1.0
243.06612	1.4
245.04538	10.3
247.20714	0.9
257.04529	3.3
259.06104	1.4
271.06210	1.3
287.05603	100.0
288.05963	10.6
299.05652	2.4
317.06641	27.2
318.06952	2.9
329.06686	2.0
358.15036	1.1
407.09869	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	407.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73733	1.3
53.87912	1.4
55.79422	1.3
59.01230	1.7
65.00189	5.6
70.42847	4.0
70.43197	1.2
72.57687	1.4
79.01781	2.3
81.03333	4.0
83.01250	3.3
85.90321	1.4
93.03345	13.3
97.02841	7.2
107.01283	7.2
111.00778	1.7
114.78907	1.4
117.03359	12.8
121.02851	7.6
123.00781	2.5
123.04382	2.3
125.02339	18.7
135.04416	6.0
137.02357	3.8
139.03943	2.5
142.42354	1.2
149.02362	4.5
151.00272	10.5
155.03391	1.9
159.04431	7.2
161.02315	10.3
163.00314	3.4
163.03842	1.5
165.01813	8.2
167.03438	7.0
173.06013	2.4
193.01349	13.0
197.04439	1.9
200.04724	1.6
201.05508	10.7
215.07086	5.4
219.06352	1.8
223.02374	2.5
236.92073	1.4
243.06609	2.2
245.04524	17.3
246.05019	1.3
257.04587	3.8
259.06070	3.0
287.05621	100.0
288.05960	11.5
299.05591	4.2
317.06638	28.4
318.07275	1.5
389.08658	1.3
407.09671	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	406.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01581	2.2
61.98698	4.2
66.00800	2.0
69.55723	10.7
71.01279	2.8
78.95773	1.7
85.02857	3.6
98.19891	3.7
98.20431	3.5
106.71167	2.0
114.09155	5.1
120.04475	4.7
125.02364	2.1
127.45290	1.8
171.10152	3.1
242.05864	1.7
243.06207	1.9
248.17751	2.3
287.01941	4.8
287.05566	3.6
317.03104	3.6
346.24997	46.4
347.25427	5.3
406.28842	2.8
407.06107	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	407.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.5
59.01251	24.0
61.98688	13.1
66.71420	3.2
67.01757	4.6
68.33865	2.7
69.40903	23.2
70.98567	2.6
71.01262	21.9
73.02806	3.3
75.00729	6.5
77.23592	2.5
82.03357	3.1
85.02804	7.8
87.00751	7.2
89.02300	17.8
95.95120	3.2
96.95840	3.7
98.20596	5.2
99.00735	7.2
101.02318	8.7
111.00762	100.0
112.01096	3.8
112.98682	12.4
113.02331	5.2
115.00213	5.0
119.03391	9.0
129.01759	4.5
142.99768	14.5
156.05640	3.2
157.11972	3.3
159.04434	3.8
173.00865	4.8
179.05513	8.3
188.89417	3.0
191.05611	5.9
201.05537	24.0
217.05112	3.0
227.03354	5.1
231.03040	7.0
245.04205	3.8
289.03503	3.2
297.20224	3.5
339.09818	2.9
371.07590	5.4
371.11880	48.2
372.12299	3.1
398.23447	3.1
407.06113	31.0
407.09943	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	12.9
59.01259	2.9
66.03323	1.5
69.16587	1.5
70.02850	2.8
71.00649	3.1
72.00781	1.7
74.02351	25.0
81.04458	1.4
82.02850	3.7
82.70248	1.2
84.04413	2.2
86.02367	9.8
86.05964	2.0
86.98972	2.4
87.05505	12.1
88.03893	1.5
88.05748	1.1
90.00068	3.5
94.23908	1.2
96.04454	1.3
97.03957	3.1
99.05518	23.9
101.07085	4.9
102.05495	5.0
109.03957	6.2
111.05508	2.3
112.03926	4.2
113.03432	2.0
116.01649	2.3
116.65973	1.3
123.05531	2.8
125.03443	2.8
127.05024	4.9
128.03426	58.2
129.03758	1.3
129.99565	1.4
131.04543	1.5
135.05559	6.4
137.07108	1.6
141.06584	5.8
143.04521	82.6
144.04871	2.2
145.06067	3.5
146.04504	6.3
153.06592	3.9
160.00659	22.1
166.09737	1.5
167.04498	5.6
167.08144	1.9
170.55383	1.2
177.03307	7.6
179.04495	13.3
181.06075	2.2
185.05624	3.6
192.07640	1.9
197.05611	3.6
208.26642	1.2
210.08759	12.5
242.07910	2.7
254.07843	25.9
255.08217	2.4
266.56403	1.3
272.08887	38.3
273.09171	3.5
288.06589	12.1
306.07648	100.0
307.07996	6.5
340.95920	1.2
401.49570	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	403.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.4
61.98702	100.0
67.80106	0.8
71.01267	1.1
71.07695	1.8
73.47596	1.1
74.02335	0.8
74.30054	0.9
87.16240	0.9
89.02280	1.0
119.12665	0.9
119.56770	1.0
120.99535	1.6
169.48372	0.9
197.70438	0.9
198.67047	0.9
227.03340	1.1
231.93066	0.9
255.03030	1.3
282.99469	1.9
283.02484	32.5
284.02838	3.8
300.22580	1.0
301.92447	1.1
403.06653	8.2
404.06778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95724	0.1
61.98705	100.0
62.98399	0.2
69.89568	0.1
71.27699	0.3
74.53748	0.1
76.15303	0.1
84.66012	0.1
119.04935	0.6
146.25142	0.1
163.03961	0.2
168.99837	0.1
196.99435	0.2
241.00356	0.2
275.36035	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	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58981	1.4
58.02850	9.3
71.28703	2.8
74.02351	17.2
86.02346	5.5
86.06013	1.5
87.05505	6.5
98.66981	1.7
99.05528	13.7
102.05493	1.7
109.02830	3.7
110.03164	3.4
111.94617	1.8
116.01711	1.8
125.03459	1.9
128.03436	51.4
129.03754	2.6
135.05513	4.5
137.07031	1.6
141.06601	5.9
143.04536	57.7
145.06134	2.4
146.04477	5.5
153.06656	2.6
160.00638	22.4
166.09818	4.1
167.04565	3.9
167.08162	2.7
177.03323	7.7
179.04547	12.4
181.06210	1.8
185.05553	2.6
197.05574	4.3
201.37825	2.0
210.08778	12.0
242.07903	2.0
254.07813	21.6
272.08887	33.9
288.06668	12.5
306.07660	100.0
307.07965	6.9
310.98605	2.3
336.51501	1.7
404.07178	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	403.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15315	1.3
52.81364	1.3
57.90082	1.2
59.01249	100.0
60.01593	1.8
61.98703	4.8
71.29184	2.1
71.29523	1.5
108.90806	1.1
118.27636	1.3
206.30545	1.2
227.48836	1.4
235.39043	1.4
299.06287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42587	0.4
57.03314	1.4
59.01246	6.2
61.98707	6.0
69.54326	2.5
69.82979	0.4
71.01247	1.0
85.02812	0.5
89.02304	3.1
91.03880	15.5
92.42028	0.4
97.06450	0.7
98.20535	0.8
99.08043	6.9
125.09637	1.1
127.11199	5.5
137.09560	0.8
139.11185	12.3
140.11507	0.6
155.10686	1.6
155.14301	0.6
157.12242	1.3
167.14330	0.5
171.10185	31.7
172.10516	1.8
183.13855	2.9
183.61803	0.4
185.14555	0.6
193.12270	1.5
195.21910	0.5
197.11812	0.5
199.13315	0.4
201.11302	0.7
211.13341	19.3
212.13731	0.7
229.14406	10.2
240.29210	0.5
263.90134	0.4
283.02557	3.2
293.21210	1.7
309.85464	0.5
311.22305	7.6
312.22681	0.6
329.23322	100.0
330.23660	9.9
403.06769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
58.00471	0.3
59.01250	5.4
61.98701	4.4
63.84037	0.4
69.03312	0.5
70.39032	0.7
70.39432	0.8
71.01251	1.8
71.04913	0.5
74.09285	0.3
79.73409	0.4
83.04916	0.4
84.02056	0.4
85.02844	0.5
89.02329	3.5
91.03885	15.2
97.02863	0.3
99.08037	6.6
121.10088	0.8
125.09582	1.4
125.42715	0.3
127.11168	5.4
137.09615	0.8
139.11192	13.8
140.11522	0.7
155.10692	1.2
155.14407	0.5
157.12305	2.1
167.14282	0.5
171.10181	36.1
172.10555	1.9
172.74854	0.4
183.13835	2.7
193.12413	0.7
199.13385	0.5
201.11244	0.9
201.14902	0.4
209.11662	0.5
211.13333	17.4
212.13634	1.1
229.14417	10.7
230.14883	0.6
283.02499	1.4
287.22256	0.8
293.21219	1.7
311.22272	8.5
312.22647	0.9
327.21741	0.4
329.23318	100.0
330.23642	10.1
403.06668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80835	1.5
59.01250	14.4
61.98701	21.2
71.01250	5.5
71.51775	2.0
73.02827	2.9
82.34491	1.6
85.02826	4.7
86.06927	1.7
89.02298	2.5
93.03329	10.1
109.02758	1.6
115.44753	1.7
121.02872	2.0
122.06018	4.5
132.04427	4.5
134.03685	1.6
135.04420	58.5
137.02330	19.8
147.03130	3.6
148.03951	4.3
150.05472	2.1
156.52011	1.6
158.02315	2.4
160.03925	2.8
175.02634	5.7
176.03433	8.9
183.04468	3.3
190.04990	6.8
204.02901	6.8
211.03995	2.0
223.08603	1.9
224.09470	3.2
226.07457	2.5
227.03441	5.1
227.08167	6.4
227.12837	2.7
234.03912	4.6
239.08165	2.5
239.11864	6.0
240.10306	2.8
240.92596	1.6
241.09883	3.7
242.02316	1.9
243.02951	1.7
243.11292	5.4
247.10645	1.6
253.06142	7.0
253.09792	2.0
255.02899	9.0
255.07765	2.8
255.11386	3.1
258.01593	4.1
259.02454	9.0
265.09628	1.9
266.07043	3.3
267.07806	3.7
268.08487	4.8
269.09351	5.3
270.01672	4.2
271.02597	8.2
271.07220	3.1
271.10818	2.0
272.03192	6.0
281.09308	7.1
283.02472	100.0
283.10889	23.3
284.02896	9.4
285.04022	9.7
287.15027	14.3
294.06491	4.3
297.05081	3.7
298.01254	17.2
299.01718	3.9
299.10300	2.6
301.03503	4.1
306.18158	4.4
309.08826	17.0
310.09058	3.6
313.03464	5.1
315.04947	1.7
325.03253	3.9
327.09821	31.9
328.10223	4.5
341.11401	5.6
353.07791	3.4
355.04520	2.5
359.12350	5.2
371.08820	20.0
372.09183	2.7
385.05484	2.2
385.10266	5.0
402.23581	1.8
403.06564	71.0
403.11475	78.1
403.23627	4.4
404.06894	8.4
404.11758	11.7
404.25476	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43850	0.8
53.37714	1.0
59.01249	100.0
61.98699	12.3
70.43453	2.7
71.01239	1.0
91.03882	1.1
171.10204	1.1
179.85211	0.9
283.02512	6.7
284.02707	1.2
327.21677	1.7
328.22101	1.5
329.22379	3.6
403.06747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88134	1.3
54.02073	1.1
59.01249	100.0
61.17498	1.2
69.35671	8.1
69.36082	2.9
121.02846	2.9
150.21461	1.2
160.92267	1.4
164.55112	1.3
185.11916	1.4
228.40379	1.3
251.61403	1.4
297.37570	1.4
327.21457	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23243	0.6
57.03307	1.4
57.55023	0.6
59.01253	5.3
65.72955	0.6
69.03320	1.0
69.20480	7.6
71.01254	1.4
71.35059	0.5
73.02844	3.6
78.34956	0.6
81.87686	0.8
83.04911	0.9
85.02837	1.1
86.37785	0.8
89.02312	1.9
91.03907	3.6
97.06478	2.6
98.03597	1.0
99.08030	1.6
109.02845	0.9
112.05196	4.0
113.02344	1.0
114.80177	0.7
115.07520	3.1
121.02850	21.3
122.03149	1.0
125.09605	2.6
127.07542	3.7
127.11170	3.2
129.09108	18.7
130.09492	0.7
141.09093	10.5
155.10689	40.3
156.11009	1.8
157.08624	0.7
163.11230	1.5
165.12752	1.4
171.10194	10.7
173.08057	1.6
181.06503	1.3
185.11763	43.9
186.12106	2.6
189.10532	0.8
193.15919	0.9
197.11774	33.2
198.12163	2.4
209.11745	6.6
211.13304	1.0
225.05504	1.7
229.14417	1.0
237.00557	0.9
238.12051	1.0
247.20775	1.7
265.21899	0.7
277.40265	0.7
291.19675	18.6
292.19946	2.1
299.22440	1.1
309.20718	39.1
310.21094	3.8
313.07211	6.2
314.07492	1.6
327.21777	100.0
328.22128	11.0
341.10721	0.8
357.06076	1.5
383.24292	1.0
401.03931	1.2
401.08801	4.8
401.25455	2.1
402.09140	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	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69629	0.5
52.14799	0.3
55.01760	0.5
56.39857	0.4
57.03316	3.2
59.01250	7.9
69.03323	2.6
70.81484	1.0
71.01246	3.0
72.99178	0.6
73.02814	0.4
74.02346	0.4
81.96026	0.4
83.01276	0.6
83.04886	0.7
85.02822	11.4
89.02319	3.9
91.03880	17.7
95.04880	0.5
97.02827	2.0
97.06464	3.0
101.02257	0.4
109.02747	0.5
119.08515	0.6
125.09599	1.5
127.11178	1.8
137.09608	3.2
155.10683	1.5
155.14232	0.4
155.51755	0.4
165.12799	0.7
167.14224	0.5
171.10181	30.0
172.10478	1.5
177.12711	1.2
181.12373	0.6
183.13869	2.4
185.11728	1.2
193.12291	0.8
197.11746	0.7
201.11247	1.3
209.11787	1.5
211.13339	14.9
212.13718	1.3
221.11740	2.9
227.12788	0.6
229.14407	9.4
230.14676	0.5
239.12854	1.8
247.20700	0.8
273.18524	0.6
283.02341	0.5
291.16690	0.7
291.19659	5.9
292.20026	0.9
299.22235	0.6
309.20718	8.6
310.20892	1.0
327.21759	100.0
328.22110	12.4
401.25821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.7
58.00484	0.8
59.01253	4.6
69.03320	1.0
71.01250	1.9
71.04891	1.9
71.31635	0.7
71.31985	1.2
73.02820	5.7
83.04920	0.7
84.42055	0.5
85.02814	0.8
89.02332	1.5
91.03899	3.5
91.81437	0.6
97.06469	2.1
98.03646	1.0
99.08057	2.0
101.02378	0.7
111.07990	0.8
112.05179	2.2
113.09644	1.3
115.07548	3.7
121.02852	21.3
122.03159	0.7
125.09627	2.3
127.07547	3.5
127.11182	2.2
129.09116	23.6
137.09660	1.1
141.09116	12.5
141.12769	1.6
151.03961	0.8
153.12740	0.9
155.10693	46.1
155.59828	0.6
156.11029	1.9
163.11205	0.9
165.12769	1.7
167.10648	0.9
171.10188	11.0
172.10521	0.8
173.08112	0.9
177.43620	0.6
181.06505	1.0
183.10191	0.7
185.11765	45.3
186.12117	2.1
197.11775	34.9
198.12080	1.8
209.11787	7.7
211.13379	1.9
225.05501	1.3
227.12926	1.3
238.12086	0.8
247.20610	3.0
273.18698	1.0
281.21161	0.8
291.19699	19.0
292.20050	2.8
299.22284	1.0
309.20740	42.4
310.21042	5.2
313.07166	7.0
327.21777	100.0
328.22134	10.9
357.05948	1.7
383.24377	0.9
401.08887	5.5
401.25458	1.7
402.09076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.8
57.03320	5.5
58.26812	0.9
59.01251	27.5
71.01254	25.5
71.51891	0.8
72.63879	0.8
72.99186	3.6
73.02817	5.3
83.01256	4.6
85.02815	13.2
87.00746	1.1
89.02310	11.8
93.03319	2.3
95.01278	2.0
99.00770	3.1
101.01701	1.6
101.02325	18.8
102.69722	0.9
107.04929	1.1
113.02351	8.4
119.03374	4.9
123.08055	2.8
125.05998	1.1
137.02318	3.9
155.11374	0.9
161.04474	4.1
161.09525	1.0
177.12796	5.0
188.80556	0.8
195.13803	3.1
197.08105	1.7
203.10712	2.1
210.72522	0.9
221.11775	9.5
239.12794	1.8
289.25592	1.0
341.10730	1.0
401.18149	100.0
402.18524	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50665	2.7
55.52013	2.3
57.03320	5.5
58.00476	3.2
59.01250	65.4
71.01253	89.9
71.51180	3.0
72.99173	6.3
73.02815	13.4
83.01274	4.7
85.02813	29.7
87.00763	8.3
87.04390	7.4
89.02317	52.3
95.01236	4.8
99.00762	5.2
100.67381	2.7
101.02316	41.3
113.02340	31.9
117.05462	3.2
119.03381	22.7
121.71814	2.5
125.02355	4.7
127.89443	2.5
137.06035	4.5
139.03935	2.9
143.03326	3.7
151.07535	4.7
153.09120	6.3
159.02859	5.6
161.04465	32.3
164.04822	2.5
164.08366	2.5
164.93214	2.8
165.09120	18.0
179.05534	9.4
179.10715	13.8
187.07555	5.6
188.08282	12.8
202.09920	25.6
203.10716	100.0
204.10979	6.4
220.10916	5.6
221.11786	54.1
222.12093	3.8
226.58154	2.9
269.10388	5.4
383.17062	3.3
401.13770	3.6
401.18341	6.0
402.77783	3.1
421.43353	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.05469	1.0
55.01756	9.2
55.56091	1.0
57.03321	6.1
57.33377	0.9
58.00465	2.9
59.01249	44.6
69.03310	1.8
70.89915	2.9
71.01255	100.0
72.99172	2.9
73.02821	43.1
75.00738	2.9
81.03327	1.3
83.01259	18.3
85.02825	50.5
87.00749	5.6
89.02317	17.8
95.01273	6.4
97.02831	5.4
99.00759	20.3
101.02325	76.8
102.02669	0.9
103.32562	1.2
111.00784	1.7
113.02330	38.7
114.02624	2.1
115.03908	4.1
125.02341	7.5
129.01807	1.3
131.03426	5.1
143.03413	4.3
149.04480	2.1
159.02872	7.9
161.04465	51.9
162.04886	1.8
191.05566	1.3
203.10698	2.2
233.06636	7.4
233.68840	1.1
238.03946	1.2
269.10284	82.0
270.10577	6.5
293.08823	2.8
293.93866	1.2
320.62842	1.2
401.14496	77.5
402.14816	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
71.51804	0.6
85.16473	0.5
91.03840	0.5
95.20758	0.5
101.33646	0.5
107.01260	0.5
109.02821	0.6
125.02300	0.6
126.04501	0.4
127.11160	0.6
151.00252	1.2
153.21834	0.6
165.12759	1.0
167.10699	0.5
193.01384	1.1
223.02478	0.9
249.22180	1.2
261.00339	2.6
265.21689	0.9
279.01413	1.0
291.01459	2.7
293.21216	7.7
297.58319	0.5
307.22748	0.7
310.21490	2.0
325.23813	100.0
326.24139	11.7
326.27921	0.8
381.04507	0.7
390.29666	0.6
399.05472	1.5
399.22174	0.6
399.27597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10679	0.6
59.01242	1.4
71.01231	0.5
71.51945	0.6
83.48426	0.5
111.13373	0.6
127.11164	1.1
151.00294	0.9
165.01860	0.5
165.12743	1.0
193.01357	1.3
249.22217	0.9
261.00500	3.2
279.01468	1.4
291.01379	2.6
293.21207	8.6
294.21545	0.8
307.22717	1.2
310.21442	2.5
325.23831	100.0
326.24182	12.9
381.04584	0.6
399.05725	1.4
399.21970	0.6
399.27740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	0.9
61.87838	0.4
66.90796	0.4
69.53014	2.5
69.53423	0.7
70.98103	0.4
92.28989	0.4
98.19800	0.7
99.18777	0.4
114.09115	2.2
136.70265	0.4
137.02393	0.5
148.05197	0.4
180.04193	1.0
181.04576	0.8
195.06554	0.4
196.06956	0.7
239.20949	0.5
258.12997	0.4
258.69656	0.4
271.03458	0.4
340.29565	6.0
341.30115	0.6
365.27899	0.4
379.14316	0.4
379.19196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	95.5
61.29105	18.5
66.86545	15.8
71.01243	42.9
71.27668	30.1
80.28409	16.9
85.02853	18.4
89.02310	100.0
101.02336	27.1
106.53964	15.2
113.02335	36.7
119.03383	35.8
123.58865	18.7
138.47830	17.0
179.05614	32.7
267.11722	19.8
298.62369	17.4
341.10828	81.4
424.45776	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	401.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	36.0
60.01582	1.7
61.98695	0.6
68.99686	0.5
69.03329	0.4
69.80795	2.7
71.01260	1.8
79.91317	0.5
89.02301	1.3
91.03879	0.7
108.04457	1.4
109.02833	1.7
113.02223	0.5
119.03385	0.6
119.04926	0.7
121.02860	0.8
125.02340	0.9
136.03902	0.6
137.02281	0.7
141.64255	0.6
149.02411	0.8
153.01881	1.3
159.04466	0.5
159.84077	0.5
160.03923	0.6
165.01823	1.0
168.01746	0.5
181.05141	0.5
185.03577	0.7
188.03441	1.6
193.01372	1.8
198.04279	1.6
202.15477	0.5
204.03185	0.5
209.07118	0.9
210.05592	0.7
211.05074	0.9
212.07356	4.9
213.02966	0.5
213.06845	0.6
223.06364	0.6
225.06656	1.3
226.03745	4.5
226.07263	0.9
227.08130	2.6
237.06802	0.6
238.08781	1.1
239.04486	4.0
239.08125	2.7
240.05141	6.1
241.06122	5.2
241.09715	0.5
247.06042	0.9
249.06532	0.7
251.08231	2.0
252.05415	0.7
253.06004	2.4
254.06914	2.0
255.07710	10.7
256.08356	1.7
265.06216	1.0
265.09857	1.5
266.07068	0.9
266.07959	0.9
267.04089	12.5
267.07721	6.8
268.04538	1.2
268.08405	1.5
269.09314	0.9
278.06778	0.6
279.07690	1.4
280.04910	1.2
280.08588	0.6
281.05695	1.8
281.09323	5.3
282.03119	1.2
282.06439	3.8
282.09412	0.9
283.07230	9.4
284.07498	0.6
285.25574	0.5
287.10547	0.6
291.07861	1.1
293.05670	2.1
293.09250	1.8
294.06302	2.5
295.07199	7.3
296.07706	0.7
299.06680	1.7
303.05164	1.6
308.08160	0.8
309.08801	14.2
310.09271	2.1
311.06577	0.7
315.09894	4.6
325.08188	0.7
326.10046	0.8
327.10016	1.4
327.21521	0.6
337.08310	8.8
338.08713	1.1
341.11182	2.6
341.30011	0.8
369.10892	30.6
370.11328	3.7
401.13510	100.0
402.13821	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	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
58.00447	1.3
59.01253	8.5
69.03336	0.9
69.42734	2.0
69.43163	3.2
70.65093	0.7
71.01257	7.5
71.04883	2.2
73.02827	2.1
75.80510	0.6
80.02565	1.7
81.03322	1.6
83.01254	0.9
83.04903	5.0
84.02036	2.4
85.02818	4.3
85.68600	0.6
89.02311	2.2
91.03877	2.0
95.01230	0.7
95.04903	2.6
97.02834	1.3
97.06464	2.8
98.20558	0.7
99.00749	0.8
99.04408	1.6
99.08069	3.4
101.02307	1.4
102.98413	1.0
107.04922	0.6
108.02083	0.7
109.06474	2.7
111.08044	0.8
112.05185	2.2
113.02325	1.0
115.07516	2.6
121.02847	1.6
123.00734	1.0
123.04409	1.9
123.08042	1.3
125.05950	1.5
125.09612	10.2
127.07537	16.9
133.51758	0.8
135.08061	3.8
137.09642	1.7
139.07553	4.2
141.12701	0.9
149.43094	0.7
151.00233	1.5
151.11240	0.8
153.09117	37.5
154.09482	1.3
155.10698	3.4
163.11208	5.8
165.01819	1.6
165.12755	2.4
167.14185	0.8
171.10176	11.4
174.01595	1.3
178.09975	5.8
181.12212	0.9
183.13823	0.7
185.11754	20.8
186.12125	1.2
191.10741	3.7
191.14346	1.4
193.01349	2.0
197.11755	13.9
205.01285	1.0
205.08960	0.6
207.10205	1.1
209.11769	69.7
210.12108	3.6
211.13339	2.4
216.90331	0.7
219.10191	1.0
223.02319	1.5
225.11453	0.8
227.13058	0.8
235.02176	0.8
235.20589	0.9
236.10539	1.3
237.11304	1.0
238.12164	3.6
239.16501	3.6
245.19046	2.8
251.16542	1.8
253.18001	1.3
261.00327	4.8
263.20132	2.1
265.18076	1.8
271.16968	1.0
279.01492	2.0
279.19659	2.2
289.18100	16.6
290.18515	1.5
291.01456	4.1
297.20633	2.5
307.19128	100.0
308.19443	9.4
312.15744	11.2
325.20190	67.6
326.20471	6.6
381.04492	1.0
381.22772	9.8
382.23193	1.3
399.05450	1.4
399.23853	8.1
409.75974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03312	0.9
58.00475	1.2
59.01250	7.3
62.52956	0.7
65.00192	0.9
71.01260	8.7
71.04888	2.0
73.02817	3.3
79.05385	0.8
80.02544	0.8
81.03333	1.7
83.01239	0.9
83.04900	3.3
84.02035	2.4
85.02815	3.9
89.02322	3.1
91.03891	2.0
95.01262	1.0
95.04917	2.9
95.78407	0.8
97.02805	0.9
97.06463	3.1
98.19736	1.2
99.04402	2.7
99.08031	2.6
101.02322	1.5
109.06479	1.7
112.05212	1.1
113.02325	1.9
115.07569	1.7
119.03435	0.8
123.00788	0.9
123.04381	1.0
123.08055	1.1
125.05916	1.0
125.09606	8.3
127.07547	15.5
134.88109	0.7
135.08096	3.6
137.02406	0.9
137.09607	1.8
137.63644	0.8
139.07529	3.4
141.08951	0.9
151.00340	1.5
153.09114	32.7
154.09421	1.3
155.10684	1.7
161.04488	2.4
163.00354	0.8
163.07623	0.9
163.11195	3.5
165.01863	1.1
165.12776	3.0
167.14326	0.9
171.10193	9.7
172.76236	0.9
177.09143	0.7
178.09885	4.0
181.08640	1.3
181.12296	0.9
185.11766	18.0
186.12004	0.8
191.10747	2.5
191.14287	1.1
193.01350	3.6
194.01805	0.8
197.11780	10.0
205.01463	0.9
209.11775	63.0
210.12129	3.5
211.13338	1.7
219.10185	1.3
223.02458	2.5
227.12782	0.9
235.02492	1.0
236.10428	1.2
237.11256	1.0
237.14845	0.9
238.12079	3.2
239.16483	2.8
245.19086	3.0
246.19405	1.2
251.16435	1.7
253.18103	1.1
261.00436	6.3
263.20090	1.9
265.18124	1.8
271.16980	1.0
279.01462	3.1
279.19608	1.6
281.21082	0.8
289.18073	15.2
290.18295	1.6
291.01541	5.5
297.20621	2.4
307.19156	100.0
308.19470	8.9
309.02402	1.1
312.15793	10.6
325.20200	59.6
326.20575	7.8
363.03232	0.9
381.04721	2.4
381.22824	10.6
399.05658	2.5
399.23868	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	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.8
57.03323	17.9
59.01249	2.4
60.85363	1.2
62.39067	1.4
69.43547	8.8
69.43974	2.0
71.01254	5.6
75.00745	2.7
83.01260	7.9
84.02032	1.8
85.02820	100.0
86.03181	3.1
95.57057	1.2
97.49355	1.6
101.02322	4.4
111.00069	2.4
111.00766	28.0
112.41396	1.4
117.03357	1.7
129.00871	3.3
129.01820	42.9
132.62631	1.4
134.03613	11.0
149.06113	1.5
161.04489	3.0
165.00066	10.8
175.03979	1.4
187.02437	2.1
193.04976	7.2
205.03467	24.8
223.04572	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.8
57.03321	12.5
58.03664	0.7
59.01249	1.2
67.01746	0.8
68.99685	0.9
70.37888	0.9
70.38233	2.4
70.60146	0.6
71.01268	5.3
72.99178	0.7
73.02812	1.5
75.00756	1.0
75.40932	0.7
83.01254	5.5
84.02032	2.2
85.02825	100.0
86.03165	2.4
99.50850	0.7
101.02316	6.6
105.40159	0.6
108.53635	0.7
111.00768	27.4
117.03372	1.4
129.01837	49.4
130.02180	1.6
133.50412	0.7
134.03676	8.6
146.42644	0.6
160.85577	0.6
161.04430	2.4
177.04044	1.1
179.05649	0.6
187.02411	2.0
193.04997	8.9
204.17258	0.6
205.03479	33.3
205.05418	1.6
206.03862	0.9
223.04535	24.1
224.04895	1.1
325.91089	0.8
330.74701	0.7
399.09286	1.1
400.61560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03312	4.1
58.00454	4.4
59.01252	100.0
61.98679	1.1
69.42966	5.7
69.43390	3.4
71.01252	62.8
72.01572	1.5
72.99170	6.0
73.02798	3.1
75.00745	2.4
78.03379	1.0
83.01251	3.0
85.02351	1.5
85.02825	21.1
87.00757	5.9
89.02317	70.4
95.01254	4.3
97.02803	1.3
98.20652	1.2
101.02324	37.2
101.44759	1.1
109.02802	1.4
113.02335	23.7
114.02694	1.4
119.03397	35.6
120.03747	1.4
123.08030	1.3
125.02357	1.0
125.06004	5.5
129.01807	1.5
131.03374	3.3
135.04399	2.4
135.08096	1.4
136.05164	1.5
137.06023	7.2
138.03128	1.9
139.03902	7.1
139.07559	2.6
143.03418	6.1
144.05688	1.1
149.09650	3.9
151.07527	3.4
153.09029	1.1
159.08063	7.0
161.04451	6.0
163.04057	1.3
164.08321	1.3
165.09097	1.4
167.07048	1.5
171.77080	1.0
173.09656	1.5
175.07571	2.9
175.11214	40.2
176.11543	2.7
177.09132	8.5
179.05592	6.7
179.06924	1.5
179.10701	3.0
181.08592	4.8
185.06003	10.3
186.06833	6.3
189.05473	1.6
191.07043	1.4
191.10677	1.5
195.83386	1.3
201.09146	43.8
202.09480	3.0
203.07071	5.5
203.10686	1.5
204.07834	10.5
207.10175	4.1
210.29680	1.1
218.09303	1.1
219.10211	46.3
220.10475	4.2
221.37823	1.1
223.04456	2.0
237.06059	1.4
237.11301	12.5
261.11551	1.2
381.15350	2.1
399.16550	35.5
400.16876	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	397.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03324	2.9
58.00464	1.1
59.00951	0.9
59.01250	19.1
67.01756	1.7
68.99693	2.9
69.03341	2.4
69.19218	0.7
69.19556	4.6
71.01254	23.1
71.77882	0.4
72.99187	7.7
73.02812	2.8
75.00748	26.2
81.03341	1.7
83.01244	2.0
83.04899	0.7
84.02064	0.4
85.02826	25.7
86.03166	0.6
87.00757	8.1
89.02326	5.4
89.65469	0.4
91.03914	0.8
93.03348	1.5
95.01266	6.7
95.81071	0.5
97.02847	1.0
99.00760	14.1
100.01048	0.4
101.02379	0.5
101.23148	0.5
101.37617	0.4
103.00268	2.6
103.05482	0.5
109.02791	0.9
111.00760	1.6
111.04372	0.5
113.02335	32.4
114.02647	0.7
115.00237	3.0
117.01808	4.0
119.04922	1.9
126.09558	0.5
129.01834	2.0
139.00311	0.4
147.04422	100.0
148.04779	5.4
149.49055	0.4
157.01344	1.3
175.02414	3.4
189.04004	1.6
195.47446	0.4
231.05070	7.0
233.04474	0.5
249.06142	68.2
250.06439	3.6
272.27118	0.4
337.09406	1.1
354.42038	0.5
379.10321	2.2
397.11404	66.8
398.11652	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.7
57.03316	3.6
58.00474	4.5
59.01252	100.0
60.01565	1.7
61.98697	2.0
68.99684	1.5
69.03320	8.5
69.52438	2.6
69.52843	4.5
71.01253	94.9
72.01579	1.4
72.99177	9.0
73.02818	22.3
75.00739	2.3
81.03320	4.7
83.01254	12.6
83.04899	1.3
85.02821	21.8
85.99969	2.4
87.00755	19.6
89.02316	72.6
91.03897	2.2
93.03314	1.7
95.01263	6.0
95.04901	1.0
97.02824	16.5
98.20534	1.9
99.00751	5.9
99.04414	1.1
101.02322	72.8
102.02640	1.2
103.03892	1.8
109.02829	1.9
111.00769	1.2
111.04375	4.5
112.01526	1.0
112.55047	0.8
113.02331	33.2
114.93227	0.9
115.03869	3.5
119.03380	26.3
121.02847	2.6
124.01511	1.2
125.02337	25.1
127.03904	1.4
131.03410	2.9
133.04956	5.4
137.02309	1.0
139.02861	1.1
139.03889	3.7
141.01819	1.8
143.03384	11.2
149.02310	1.5
149.04453	2.2
161.02351	1.0
161.04465	13.8
165.12778	1.3
167.03383	1.1
169.04935	1.9
174.05017	1.0
179.05527	6.4
183.62245	0.9
203.05528	1.3
205.05014	1.4
213.03310	1.0
217.07109	2.8
221.06587	3.1
228.83046	1.1
233.04391	1.4
235.08211	24.1
236.08606	1.5
245.06618	1.7
253.09274	1.7
263.07886	1.6
277.09274	2.3
287.07623	1.5
291.19720	7.0
323.09576	1.2
323.22208	14.9
337.02591	1.0
359.33853	1.0
361.11188	2.8
379.12350	1.6
397.13470	71.2
398.13754	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18624	0.6
57.03316	1.3
59.01241	2.6
62.45268	0.6
70.05116	1.4
70.05507	1.2
71.01262	1.0
71.13841	0.6
72.91420	0.7
83.04939	0.7
89.02323	1.2
106.44415	0.7
111.08043	0.7
123.08047	0.7
125.09611	1.1
163.11133	0.8
165.12790	4.6
181.12245	1.2
190.99927	0.7
191.14362	1.2
193.12212	0.7
205.05005	0.7
209.11574	0.7
217.16031	1.0
247.20677	2.4
273.18564	2.9
274.18900	0.7
278.51529	0.6
291.19666	57.5
292.19980	5.9
305.21237	4.2
308.19894	2.0
323.22272	100.0
324.22601	10.8
364.35019	0.7
397.26227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03329	1.7
58.43153	0.7
59.01254	14.4
61.98703	11.1
69.21250	3.9
69.21671	2.9
71.01250	9.2
73.02818	1.8
83.01258	1.4
83.04877	0.7
85.02818	2.1
87.00757	1.2
89.02329	7.5
91.03863	1.0
91.07019	0.6
93.03301	0.7
97.02822	1.8
97.06435	0.7
99.00769	0.9
101.02328	6.8
111.08048	1.0
113.02343	2.1
119.03385	2.9
125.02323	2.8
125.09602	1.5
131.03336	0.7
131.07674	0.7
135.08185	0.8
139.03943	0.7
143.03406	1.4
149.04384	0.8
161.04512	1.6
163.11200	0.7
165.12781	5.9
167.10605	0.8
181.12231	0.9
191.14323	0.8
193.12312	1.6
205.05011	1.8
217.07018	0.8
217.15883	1.2
226.74805	0.7
233.04445	1.7
235.08141	1.9
247.20631	2.7
273.18585	3.2
291.19666	67.1
292.19971	7.8
305.21194	1.0
308.19897	2.1
323.22263	100.0
324.22589	12.0
397.13519	7.4
397.25964	1.5
398.13965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11652	13.7
56.12120	13.7
61.98706	100.0
65.39869	12.8
65.48965	12.5
69.46728	47.2
69.47142	51.0
71.01244	25.0
85.02841	18.0
91.37773	13.3
93.03322	17.7
95.72954	12.7
105.22343	15.5
111.00713	16.1
114.93021	13.7
135.04417	84.9
137.02338	45.7
161.02339	24.3
179.03445	70.8
242.56367	22.2
261.00436	24.6
283.32312	13.9
335.07718	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.7
71.50826	5.6
75.58833	3.7
79.05063	4.1
81.03326	4.9
83.01277	5.5
93.03327	4.8
95.01255	3.7
95.04893	5.1
95.39819	3.2
97.02826	8.2
109.02872	5.5
119.04935	5.1
121.02822	11.8
125.02367	17.3
135.04420	5.0
137.02306	11.6
147.04387	4.0
149.02348	10.2
151.00284	5.8
153.01830	5.6
159.04417	4.8
161.02374	8.1
161.06020	7.1
163.00343	7.4
163.03943	10.0
165.01849	16.2
167.03461	12.7
174.56471	3.7
175.03943	7.1
177.01865	7.3
177.05470	7.8
187.03935	7.3
190.02655	6.6
191.03452	13.3
193.01360	7.4
203.03392	9.3
205.01373	9.6
205.05063	23.7
206.02136	10.6
207.02974	5.0
217.01341	4.2
219.02937	17.8
220.03516	3.6
221.04523	4.7
231.02962	9.7
233.04543	18.4
235.02440	9.8
245.04443	5.7
247.02391	7.3
249.04012	25.8
259.02496	4.3
263.05331	4.2
277.03534	100.0
278.03976	6.5
289.03400	5.2
307.04651	38.2
379.06409	7.1
397.07742	71.6
398.08234	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	395.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39556	0.6
53.82348	0.6
59.01242	1.2
63.38853	0.5
69.99788	0.5
70.31679	0.6
71.47073	0.5
71.52190	0.9
78.95759	4.2
91.54781	0.5
104.06834	0.6
110.98417	4.0
146.85318	0.6
163.11131	2.3
167.01062	2.0
185.02150	2.0
220.13324	1.6
227.20114	100.0
228.20462	8.0
247.02438	0.7
262.68896	0.6
275.01953	1.1
309.20712	1.2
314.07599	0.6
395.06122	1.4
395.22043	4.9
395.28027	4.9
396.25351	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	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33107	0.3
56.23621	0.3
59.01244	1.9
62.51840	0.3
63.39589	0.3
70.33724	0.3
71.01244	1.0
71.51758	0.6
83.58020	0.4
99.51460	0.4
117.01785	0.6
122.30236	0.4
122.84803	0.4
127.07534	0.4
135.02896	0.8
183.40805	0.3
271.98035	0.4
275.02017	1.0
275.20358	0.5
277.21707	100.0
278.22058	11.4
304.95203	0.4
305.03217	0.3
395.06308	0.7
395.24045	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	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
54.17438	0.5
55.01758	4.2
57.03323	3.7
58.00446	0.7
59.01248	28.0
59.64039	0.5
61.98676	0.6
69.03311	1.3
71.01252	47.8
72.99151	2.2
73.02816	28.3
75.00718	1.9
81.03310	1.0
81.90456	0.5
83.00826	0.7
83.01259	12.0
85.02823	26.2
85.99959	1.3
86.03147	0.6
87.00764	3.2
89.01835	0.8
89.02316	10.9
94.45543	0.6
95.01270	3.1
97.02251	0.6
97.02774	2.8
98.19748	1.2
99.00754	10.4
99.08050	1.0
101.02319	55.3
102.02655	1.2
111.00723	1.8
113.02330	19.5
115.03898	1.8
119.03439	0.7
125.02323	3.4
129.01796	1.5
131.03394	3.1
137.09537	0.8
143.03365	2.3
149.04416	1.3
149.05869	0.6
157.07579	1.4
159.02893	4.2
161.04453	19.1
171.10190	0.7
175.03903	1.9
199.05292	0.6
204.40598	0.7
205.03484	1.1
218.25516	0.7
219.07562	1.1
233.06635	3.1
263.14975	100.0
264.15384	7.0
275.01941	1.9
289.18085	2.6
290.18414	0.6
293.08548	0.7
305.02948	1.2
307.13992	1.1
318.13519	0.9
358.37143	0.6
377.15979	8.5
378.16382	1.6
395.19220	76.5
396.19638	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01413	75.2
71.52131	100.0
89.45615	64.2
110.78886	71.3
110.97411	87.1
154.85167	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	JBIR-56
Peak:m/z	Relative Intensity
50.21012	0.9
55.01740	1.4
57.03316	1.5
58.00463	1.5
59.01253	38.4
60.34718	0.7
61.16130	0.7
71.01254	23.6
71.52190	1.6
72.99174	2.6
73.02811	2.0
83.01246	2.9
85.02820	7.1
87.00748	1.8
89.02323	16.3
90.02700	1.0
95.01265	1.5
99.08053	1.7
101.02325	14.8
113.02327	9.1
119.03398	6.5
145.08543	1.2
149.04364	1.0
150.03139	1.8
156.45659	0.9
159.38580	0.8
165.05528	2.2
167.14354	0.8
183.13757	0.8
185.15385	1.2
191.33807	0.9
195.06656	1.0
197.04532	1.6
213.14905	19.3
214.15231	2.0
215.72908	0.8
231.15958	14.1
232.16324	1.0
333.29352	0.8
368.51758	0.9
375.20297	1.4
391.97867	0.9
393.21310	100.0
394.21591	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24562	0.4
59.01252	100.0
60.01591	1.7
61.12737	0.5
61.98709	0.5
71.01266	0.6
71.52402	0.5
78.95791	0.7
79.95631	0.8
84.90302	0.4
85.02850	0.6
123.09981	0.5
148.81209	0.4
227.22966	0.4
335.54935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	16.5
61.98699	100.0
70.28292	15.6
72.61082	3.4
78.95769	5.6
123.07238	4.3
176.97057	3.6
218.27458	4.0
222.14682	3.4
257.08438	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60334	1.6
50.77239	1.7
59.01253	29.4
65.95695	2.9
68.01890	1.6
71.52416	2.4
71.62939	2.0
78.95772	14.2
79.95609	3.1
81.95190	4.2
83.47999	1.7
110.98426	9.0
111.08053	16.2
118.37669	1.9
119.75526	1.8
147.11681	5.9
165.12779	6.0
169.12221	7.2
177.61955	1.8
197.11775	68.4
198.12074	4.7
211.13380	6.6
212.70549	1.6
215.10449	8.6
219.09923	4.1
233.11542	100.0
234.11859	6.4
237.43608	1.7
249.13200	2.1
251.11221	4.2
263.20032	3.1
279.11160	1.9
291.19629	13.3
293.12451	7.2
309.20718	48.6
310.21011	7.5
331.18826	7.4
339.63031	1.9
391.20596	9.3
391.29724	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73663	0.3
54.23629	0.3
59.01249	100.0
60.01579	1.2
71.32341	0.5
82.88841	0.3
85.45104	0.3
186.21991	0.3
243.34277	0.4
263.77814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27689	0.4
57.03334	0.5
59.01250	100.0
60.01590	1.2
70.26311	0.4
70.43270	1.0
71.01263	4.4
73.02834	1.4
74.51931	0.4
75.09435	0.5
78.95772	0.5
82.04552	0.4
83.01252	0.4
85.02808	2.4
89.02328	1.7
99.00834	0.7
99.25414	0.4
101.02323	3.2
107.83481	0.4
113.02336	1.9
116.62383	0.5
119.03459	0.6
149.13313	0.7
159.02972	0.5
161.04443	3.3
185.21201	0.4
194.77425	0.4
207.15997	0.5
211.13406	1.2
228.33604	0.5
301.03415	0.5
331.17636	2.3
345.24994	0.5
391.19501	4.4
391.27295	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	1.2
61.61110	0.3
70.54554	0.6
71.01275	0.6
73.03948	0.7
81.50722	0.4
98.20476	0.3
101.02379	0.4
113.02441	0.4
113.03305	0.3
115.05054	0.7
164.07114	0.8
250.66418	0.4
254.77065	0.3
296.72910	0.3
392.16306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.3
57.03323	17.8
59.01252	31.8
71.01260	13.4
71.52061	1.6
72.99171	1.8
73.02843	3.0
76.25466	1.1
83.01258	11.6
84.02039	2.5
85.02823	100.0
85.06465	3.1
86.03189	1.9
89.02319	4.9
97.77094	1.3
99.00770	1.7
101.02337	6.6
111.00001	1.4
111.00757	27.8
113.02334	1.6
119.03395	1.7
128.75703	1.4
129.01826	44.7
149.13231	2.1
161.04504	3.9
174.44246	1.2
185.11755	5.2
187.02336	2.2
205.03474	31.5
211.13284	4.1
223.04585	6.9
242.03564	1.4
283.28796	1.2
295.53433	1.5
331.04471	1.7
391.19925	12.3
391.24576	1.5
391.26996	2.7
392.20627	1.4
408.17233	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.9
57.03322	17.0
59.00957	2.2
59.01252	43.5
63.17088	0.9
68.99650	1.1
69.27918	0.9
70.91911	2.8
71.01248	12.6
71.66110	1.2
72.99169	3.5
73.02808	3.7
83.01256	9.3
84.02020	2.0
85.02822	100.0
86.03148	3.5
88.11414	1.0
89.02311	7.7
93.00983	1.0
93.03362	1.4
99.00747	1.3
99.82866	0.9
101.02317	10.3
109.02771	1.7
110.99990	1.2
111.00764	29.7
113.02321	3.3
119.03368	3.5
129.01836	46.2
134.04588	2.0
137.02368	2.0
161.04462	3.8
178.00296	0.9
179.05522	1.6
185.11787	5.5
187.02351	2.9
205.03488	31.8
206.03851	1.6
209.10043	1.1
219.72723	1.1
223.04555	3.9
281.06656	1.5
391.10318	1.1
391.15790	2.1
391.19730	8.9
391.26740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.7
57.03321	18.4
59.01250	19.5
67.01747	1.5
68.99700	1.2
69.03350	1.2
70.38147	1.0
70.81132	1.0
71.01265	6.3
71.52278	1.2
71.86217	1.2
72.99184	1.6
73.02819	2.7
75.00753	2.0
75.69534	1.2
82.95289	1.1
83.01251	10.7
84.02057	3.1
84.29879	1.1
85.02826	100.0
86.03138	2.6
89.02322	1.8
101.02335	6.5
111.00774	24.6
129.01830	49.5
130.02106	1.8
139.01199	1.2
145.12073	1.0
161.04471	1.8
185.11703	5.3
187.02382	1.8
191.74521	1.0
205.03471	30.6
223.04474	5.7
243.02850	1.4
271.02414	2.3
316.12979	1.3
358.98709	1.3
391.15466	1.7
391.19644	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30547	2.3
56.35086	2.6
57.07028	3.2
59.01250	100.0
60.61214	2.4
61.98701	60.2
62.87653	2.5
70.74844	4.6
78.95778	9.4
112.24180	2.2
114.82889	2.7
158.89441	2.7
158.92667	2.5
223.13353	5.7
295.55801	2.8
325.92343	2.7
359.69638	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	391.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65582	1.1
53.40789	1.1
54.48184	1.0
59.01251	18.7
61.18271	1.1
70.65319	3.3
71.01243	6.0
73.02824	3.3
83.01263	2.0
85.02818	1.7
89.02328	3.7
101.02325	4.8
109.02803	3.5
113.02285	1.9
119.03384	2.5
143.03300	1.2
161.04501	1.1
171.82808	1.3
187.03870	1.4
187.13319	1.8
201.11716	1.1
204.85756	1.1
215.03464	6.6
227.03391	1.8
229.05017	1.5
230.02214	1.6
231.03035	1.6
243.02940	8.4
244.03604	1.5
258.01663	29.2
259.02444	45.7
260.02835	4.1
271.02469	47.5
271.85236	1.2
272.03223	42.1
273.03876	10.1
283.02515	2.1
285.04050	13.1
298.01120	7.7
299.01813	2.3
301.03540	100.0
302.03818	10.2
313.03488	7.4
315.05130	2.1
327.05142	1.4
331.04587	86.3
331.17581	2.7
332.04941	7.6
349.18747	5.5
355.04697	3.3
369.26135	1.5
373.05630	16.5
383.31430	1.3
391.06714	68.8
392.06961	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	391.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37527	1.6
57.03316	3.9
59.01247	21.1
65.00195	4.8
69.03314	2.2
69.46347	12.0
71.01257	10.5
73.02815	3.8
79.01784	1.9
81.03326	5.6
82.03619	1.5
82.45780	1.8
83.01265	9.1
85.02824	22.0
88.24648	1.6
89.02316	3.9
95.01238	2.5
97.02821	4.7
98.20514	3.4
99.08012	2.0
101.02319	6.1
107.01236	3.4
111.00749	4.0
113.02287	2.1
115.51198	1.6
119.04912	8.7
121.02832	6.7
123.00780	1.8
125.02349	18.9
129.01845	6.2
131.04428	1.8
135.00652	1.9
137.02327	2.5
143.04916	7.6
145.02829	16.8
149.02330	3.6
151.00256	5.2
155.03484	1.9
155.08568	3.4
157.06390	1.9
161.04558	2.1
161.05959	2.1
163.00278	4.1
165.01816	2.9
177.01819	1.8
184.05257	2.6
185.06046	6.2
193.01289	4.1
199.07535	10.1
203.07152	2.7
205.03484	6.9
227.07076	4.4
229.05051	18.1
229.14343	3.0
230.69624	1.6
233.10561	1.8
241.05019	6.4
243.06667	3.1
271.06110	100.0
272.06464	8.4
283.06030	3.7
301.03809	2.6
301.07126	27.1
302.07581	2.8
391.10617	2.9
391.19775	39.6
391.27304	2.7
392.20032	2.8
410.02264	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	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.33667	42.9
65.82161	33.8
66.61790	46.5
183.63757	43.5
209.75970	43.7
235.89696	39.7
317.21243	43.8
387.25302	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81178	14.6
59.01246	100.0
60.40066	15.1
61.47868	11.6
63.82499	12.8
70.91353	12.9
171.32339	12.6
231.69031	12.1
249.29950	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.6
61.98703	100.0
79.84660	1.7
101.04489	2.0
106.32066	2.0
109.02877	2.5
229.87314	2.4
346.20782	5.9
393.49301	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12872	7.8
59.01259	100.0
67.12942	9.7
70.10388	32.0
78.08932	7.9
94.83497	9.5
271.30331	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19632	5.6
57.33353	5.9
59.01252	100.0
69.80919	16.5
69.81324	16.1
75.81946	5.3
185.39174	6.0
245.09663	5.5
336.05304	6.8
359.97800	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09861	2.3
59.01251	11.5
61.98702	100.0
72.98182	2.3
79.95609	11.7
95.95107	4.7
96.95885	42.6
106.45417	2.1
128.98055	2.2
153.06059	2.3
166.65898	2.3
234.54652	2.5
241.43526	2.6
390.16678	16.5
390.27338	3.2
391.18066	13.6
403.09457	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	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01764	1.0
57.03330	1.0
58.00475	0.6
59.01252	100.0
60.01583	1.1
69.03352	0.3
69.81353	1.0
71.01255	21.4
72.01595	0.4
72.99182	0.9
73.02820	6.8
75.00749	0.4
83.01259	2.3
85.02826	7.7
85.99981	0.5
86.03197	0.2
87.00759	1.4
87.04379	1.2
89.02318	7.3
91.82948	0.2
95.01266	1.4
97.02844	0.4
98.19750	0.3
99.00757	1.8
101.02324	13.4
101.05975	0.4
102.02682	0.3
111.00800	0.6
113.02338	7.2
114.02616	0.2
119.03396	2.9
125.02338	0.6
131.03410	0.5
143.03394	1.6
143.85219	0.2
149.04366	0.3
159.02934	1.2
159.06522	1.3
161.04469	8.2
179.05533	1.0
185.65994	0.2
205.03488	0.3
225.15001	0.4
249.09822	0.7
309.17352	0.2
327.18176	1.8
345.19186	9.6
346.19482	1.1
398.58774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Renealtin B
Peak:m/z	Relative Intensity
59.01242	19.8
61.98697	2.7
71.01241	7.6
71.52101	1.9
89.02319	3.9
95.01284	2.6
101.02314	3.3
109.02805	2.8
113.02314	2.3
123.00751	6.5
123.04346	2.5
123.59491	2.0
136.01534	2.6
137.02356	5.6
138.03143	12.1
139.03941	2.3
147.04373	4.6
148.05174	9.2
149.05930	7.6
151.03870	5.1
153.05478	21.6
157.06635	2.1
158.03540	3.3
159.04449	17.2
160.05219	21.7
161.05930	8.4
162.03081	5.7
164.04712	3.6
164.07170	2.2
165.01816	6.1
174.03142	8.9
175.07550	7.3
176.04735	6.0
177.05493	100.0
178.06296	29.3
179.03397	4.2
180.04117	5.2
187.03963	13.8
188.04741	12.2
191.07063	29.6
192.04192	5.5
192.07852	9.9
194.05826	4.4
195.06517	3.2
203.07092	89.8
204.07484	3.4
205.05139	4.2
206.05760	18.9
210.05278	11.6
219.06560	2.9
220.07417	7.0
220.16237	2.0
221.08145	88.5
222.08495	4.6
224.06862	26.6
224.18539	2.3
225.11426	4.8
243.06218	2.6
249.05684	2.3
289.07080	4.8
311.09296	3.3
321.07739	2.8
339.08588	6.8
343.11938	4.0
354.11234	4.4
357.13434	11.5
369.13492	25.0
387.14508	28.7
387.23969	10.4
388.14728	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	387.1452
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.32834	0.8
51.89854	0.7
56.58765	0.9
57.03315	3.7
59.01250	10.0
61.73562	0.8
67.55450	1.0
69.28366	7.6
71.01254	7.2
73.02811	1.6
81.03329	3.2
83.01245	5.3
83.04893	1.1
85.02824	1.0
87.00748	8.5
89.02310	1.2
90.15683	0.8
93.03345	1.8
95.04882	4.4
97.02837	9.3
99.00770	1.1
101.02361	1.0
107.04962	1.0
109.02835	28.5
111.00743	1.4
113.02304	1.0
113.52267	1.0
115.00255	27.6
121.02835	3.3
122.03680	1.0
123.04401	20.1
125.02331	16.3
132.69843	0.9
135.04399	2.9
135.07942	1.1
137.02348	9.8
138.03154	1.0
139.00262	1.7
139.03923	4.4
145.02849	1.5
145.08615	1.9
146.03622	2.3
147.04401	1.0
149.02359	5.5
151.03915	10.1
153.86739	0.8
157.01357	4.6
157.06459	0.9
159.04420	2.9
159.13434	0.9
160.05174	2.1
161.02316	1.1
161.05998	7.1
162.03120	2.1
163.03864	1.4
164.01051	4.2
165.01840	4.6
167.03383	2.1
167.89397	1.0
175.02411	40.8
175.03877	2.8
175.07559	3.1
176.02742	1.5
177.05447	1.1
179.03368	6.9
179.07059	2.4
185.05968	1.8
187.03915	6.3
188.04684	4.0
191.07111	1.5
202.06262	2.7
203.07074	16.2
205.05003	11.8
212.04712	1.1
219.06723	1.2
221.08130	3.6
225.14761	1.4
227.07094	1.6
231.03040	1.0
241.06233	1.0
241.14391	2.9
245.08157	20.0
246.08444	2.8
247.06055	1.7
247.13280	1.0
253.14386	1.3
261.14825	1.7
264.34430	0.9
269.14005	3.4
287.14856	4.2
289.07162	100.0
290.07458	7.9
299.12985	2.4
307.15570	4.0
321.24902	1.0
327.14453	2.7
327.21661	3.5
328.15051	0.9
343.11844	15.6
343.15863	0.9
344.12192	1.0
345.22794	8.4
369.13345	1.5
387.14471	40.0
387.23822	4.7
388.14777	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.4
57.03321	19.6
59.01252	8.8
67.01764	1.2
67.64513	1.2
68.96908	1.2
71.01260	9.7
72.99168	2.6
75.00748	2.2
83.01268	10.0
84.02029	3.0
84.55379	1.3
85.02826	100.0
86.03157	1.8
88.04476	1.1
98.19728	2.3
101.02319	8.0
111.00764	40.3
129.01833	36.5
134.33685	1.3
140.33162	1.2
147.02887	2.6
161.04472	2.8
187.02444	2.3
205.03490	36.3
206.03893	1.9
223.04558	69.4
224.04973	2.9
225.14949	1.2
233.11684	1.7
268.39948	1.6
329.23138	2.0
345.23090	1.3
387.05511	1.3
387.19229	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	387.2025
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
52.58709	0.3
55.01759	3.1
57.03319	3.1
58.00465	5.0
59.01250	100.0
60.01585	1.1
68.99699	0.4
70.12075	0.3
71.01252	88.8
71.09374	0.6
72.01601	1.6
72.99185	6.9
73.02814	12.0
75.00739	0.7
80.91299	0.3
83.01252	7.1
85.02824	23.5
86.03142	0.5
87.00751	5.8
87.04365	1.0
89.02316	76.8
90.02661	1.0
95.01265	5.5
96.86401	0.3
97.02825	0.9
99.00749	3.5
101.02322	60.0
102.02676	1.1
104.72134	0.4
110.67645	0.3
111.00739	0.9
113.02332	33.7
114.02640	1.0
115.75283	0.3
119.03387	28.3
120.03699	0.6
125.02319	1.5
129.01762	1.0
131.03400	3.4
137.09639	2.7
143.03416	5.1
144.03780	0.4
149.04471	2.5
151.11200	5.0
153.12738	2.8
158.07310	0.3
159.02928	2.4
161.04469	16.3
162.04794	0.7
173.09518	0.3
179.05536	7.8
181.12224	1.0
189.12752	4.4
190.13129	0.7
205.03510	0.7
207.13837	2.3
225.14919	17.4
226.15189	1.1
297.16925	1.2
297.20010	0.3
387.15906	0.5
387.20178	4.9
388.20230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.08667	0.6
55.01761	2.6
56.44044	0.7
56.91175	0.7
57.03324	4.5
58.00461	5.6
58.46469	0.7
59.01251	100.0
64.05500	0.6
70.38053	1.9
71.01255	85.7
72.01591	1.4
72.99182	6.7
73.02818	12.7
73.03201	1.2
75.00742	1.4
83.01263	6.7
85.02830	20.3
87.00752	15.3
87.04433	0.8
89.02318	80.9
90.02690	1.1
95.01268	6.0
97.02863	1.1
97.06483	0.7
99.00774	4.5
99.04418	0.9
101.02322	55.7
102.02719	1.1
102.98492	2.7
111.00799	3.2
113.02335	39.3
119.03392	41.7
125.02333	1.7
129.01817	3.6
131.03421	4.6
137.02371	1.0
137.09647	1.7
143.03391	6.4
145.10205	0.8
146.03662	0.9
149.04495	3.5
149.09618	1.0
149.94771	0.7
151.00307	1.0
153.01935	1.3
157.06482	0.8
159.02956	2.5
161.04472	12.1
161.09610	4.2
165.01813	0.9
171.08105	1.0
175.07620	3.0
175.11154	1.2
176.08328	5.3
177.09094	0.7
177.12892	1.0
179.05533	8.8
187.11209	31.5
188.11597	2.6
189.09149	3.4
190.09900	6.5
203.10629	1.6
204.11505	9.4
205.12282	33.1
206.12657	2.3
208.00186	0.7
209.00827	6.0
215.10764	3.4
217.12444	1.2
223.13495	2.4
233.11786	21.2
234.12231	2.0
259.13434	5.2
259.23953	0.7
277.14438	9.6
278.14810	1.0
365.03601	0.7
385.03998	4.4
385.13046	1.1
385.18945	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	385.2229
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.56683	0.5
51.61743	0.5
59.01248	4.2
61.67800	0.5
64.31145	0.6
67.22363	0.5
69.16936	1.0
69.17342	4.7
71.01262	1.2
71.68493	0.6
89.02306	2.1
91.03883	3.2
97.14950	0.5
98.20566	1.2
105.69550	0.5
107.01307	0.8
121.02847	1.3
122.03629	1.4
125.02314	1.0
126.03106	1.0
149.02188	0.8
151.03900	0.6
167.14351	3.7
168.04221	0.7
181.30031	0.5
183.13731	0.8
193.15918	1.7
207.17593	1.3
218.99348	0.9
223.20654	2.9
231.17465	1.1
233.15459	1.4
245.16379	0.6
249.18591	7.9
250.18976	0.7
267.19644	100.0
268.19977	9.6
275.16528	12.1
276.16931	1.4
293.17584	77.2
294.17905	9.4
311.18652	14.5
311.22128	2.4
312.18903	1.4
367.21268	8.3
368.21548	1.2
385.22296	65.1
386.22552	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01244	5.4
70.38614	1.5
71.01255	1.6
73.02830	0.6
78.70566	0.5
83.04900	0.6
85.61743	0.5
87.66609	0.4
89.02322	3.4
91.03883	13.1
97.06489	0.5
99.08016	2.4
99.60984	0.4
107.01233	0.5
112.50732	0.5
113.09610	2.5
113.27328	0.5
123.08006	0.5
127.07522	0.6
129.09106	5.2
139.11237	1.3
141.09091	0.7
151.11208	0.7
153.12735	0.6
163.11174	0.6
164.33002	0.5
169.12244	1.8
171.10179	2.1
180.44888	0.5
181.12296	4.1
183.13814	2.0
193.12257	2.4
195.13635	0.6
197.11754	7.0
199.13326	3.2
204.98274	0.5
211.13336	16.9
212.13744	0.7
218.99467	0.8
220.41945	0.5
257.06894	0.5
265.21539	0.5
275.20190	1.0
293.21231	12.9
294.21399	1.7
311.22260	100.0
312.22620	11.9
357.04483	0.7
366.49091	0.5
378.80765	0.5
385.25867	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	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97548	0.4
59.01254	0.9
60.28837	0.5
71.00829	1.1
89.02287	0.5
91.03873	1.6
97.06482	0.4
99.07986	0.5
113.09618	0.9
115.07554	1.1
127.07530	0.5
134.05275	0.4
167.14252	2.5
183.13811	1.9
195.12074	0.6
195.13829	10.3
211.13373	0.8
213.14879	1.3
242.15176	0.9
261.87692	0.5
265.21744	1.1
267.23245	0.6
293.21243	10.3
294.21643	1.0
311.22260	100.0
312.22592	12.0
385.25815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36070	0.3
55.46597	0.2
57.03312	0.3
59.01234	1.0
68.07130	0.2
73.96553	0.2
89.02328	0.5
91.03878	1.3
98.20654	0.4
99.08013	0.5
113.09602	0.8
115.07549	1.3
127.07535	0.9
128.08301	0.9
165.12852	0.3
167.14328	3.0
170.10286	0.2
180.63426	0.2
183.13831	2.8
195.13828	11.8
196.14218	0.9
211.13324	1.0
213.14882	1.3
218.99294	0.4
239.23738	0.5
241.14459	0.3
242.15204	1.0
249.22166	1.3
250.22679	0.3
265.21762	0.8
267.23257	0.6
275.20190	0.2
283.22864	0.6
293.21234	10.6
294.21613	1.5
309.20682	0.4
311.22256	100.0
312.22607	12.4
339.03644	0.3
385.04364	0.2
385.25992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03319	3.9
58.00463	3.4
59.01253	57.6
69.03329	1.6
70.43108	3.6
71.01254	78.0
72.01593	1.4
72.99192	5.6
73.02816	12.7
83.01263	6.5
83.04885	1.1
85.02827	25.1
85.48182	1.0
87.00766	3.7
89.02320	34.7
95.01260	6.2
95.04942	1.7
97.02826	6.8
99.00754	7.0
101.02329	37.6
105.06971	1.6
108.05691	2.9
109.02843	1.9
109.06483	1.6
111.04394	1.7
111.07959	1.3
113.02336	33.3
113.05970	6.2
114.02729	1.7
115.00265	1.4
119.03404	12.0
121.02849	26.5
121.06445	1.1
122.03622	1.5
123.08053	4.1
125.02335	1.1
125.05978	2.0
129.01865	2.7
131.03403	1.3
135.04483	1.7
135.08034	1.5
136.05194	4.9
137.05991	1.5
138.06775	27.3
139.07550	9.9
143.03423	2.5
151.07552	29.2
152.01103	1.1
152.04675	2.9
152.08347	45.7
153.09123	100.0
154.09491	6.3
159.02916	4.7
161.04457	18.1
163.11197	3.0
165.09167	2.1
167.07126	2.6
174.43161	1.1
179.05542	2.7
190.09937	2.4
205.12289	36.6
206.12627	2.6
223.13359	18.4
224.13695	1.3
235.83171	1.1
263.07834	2.1
385.11502	6.2
385.18509	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	385.1868
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
51.71625	1.3
53.43149	1.1
55.01752	2.0
57.03325	3.8
57.32532	1.3
58.00452	2.6
59.00954	2.9
59.01251	50.6
64.11022	1.3
65.74674	1.1
69.23471	9.0
69.23883	3.1
71.01253	74.1
72.01560	1.6
72.99184	5.5
73.02814	12.7
75.00735	2.5
83.01272	6.5
84.02032	1.4
85.02828	23.3
87.00746	4.4
89.02322	32.6
95.01254	5.6
95.04913	2.2
97.02828	6.0
99.00744	4.8
101.02318	35.6
108.05716	3.2
109.02847	1.9
109.06422	1.7
111.04355	1.5
113.02324	31.8
113.05941	3.4
115.00230	2.5
119.03387	13.8
121.02833	15.3
122.03641	2.5
123.08035	5.7
125.02331	2.8
125.05966	2.6
129.01793	2.2
131.03310	1.9
135.07907	1.5
136.05196	4.5
137.02267	1.4
137.05951	2.6
138.06758	24.2
139.07588	10.8
143.03412	2.2
151.07568	25.8
152.04651	1.9
152.08333	47.4
153.09116	100.0
154.09387	3.7
159.02919	6.2
161.04471	20.5
163.11211	3.0
165.09093	2.0
167.07091	2.5
179.05600	1.9
189.09105	1.7
190.09874	1.3
195.83762	1.3
205.12270	31.7
206.12604	4.2
223.13338	17.8
243.01530	1.3
263.07837	1.5
385.11563	3.8
385.18616	8.3
386.19034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07128	0.7
55.36311	0.7
57.03326	2.5
59.01257	4.8
59.29877	0.8
61.01652	0.7
64.76051	0.6
65.02483	0.8
65.21661	0.6
67.03065	0.8
69.03326	13.4
69.20015	7.6
71.01250	2.2
71.04892	5.0
73.02787	1.3
78.71388	0.8
83.01256	1.1
83.71822	0.7
85.02820	14.0
85.06464	1.0
86.49263	0.7
89.02345	1.6
93.03320	0.8
107.01240	0.7
109.02854	0.9
110.53548	0.8
111.08021	1.0
112.17419	0.7
113.02331	31.8
117.01833	0.8
117.23469	0.7
125.02338	3.4
125.09606	1.5
129.84848	0.9
131.46532	0.7
135.03011	0.9
137.02361	5.8
141.01807	0.9
146.02112	2.1
150.03081	1.9
153.12741	1.7
154.99843	0.8
159.41216	0.8
161.02373	1.2
164.04674	1.7
165.01849	3.0
165.04938	1.6
179.03404	1.7
180.07407	1.7
181.07487	1.0
187.07520	0.9
215.07234	0.8
218.99229	1.1
223.13356	1.2
223.16951	1.3
249.14928	1.0
267.16006	100.0
268.16345	10.0
287.05563	2.1
325.20346	0.9
355.13943	1.1
385.04962	1.2
385.12982	2.9
385.18677	10.8
386.19012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.39413	2.7
69.39841	4.3
71.01247	6.3
72.99184	0.7
73.02835	1.9
79.68298	0.9
85.02835	3.2
99.00706	1.4
101.02338	3.7
106.05247	0.9
109.02801	0.9
113.02334	3.1
115.00253	0.8
125.02306	0.9
135.02859	1.6
137.02338	2.5
148.05208	11.1
150.03084	1.0
159.02921	0.8
161.04440	6.4
163.07581	7.8
164.04680	2.2
165.01900	1.6
179.07095	1.2
180.07370	1.4
181.07605	1.0
192.00473	0.9
211.13091	1.2
223.13211	1.1
269.14038	1.7
338.02383	0.9
341.15662	0.9
357.04251	1.0
363.77084	0.9
402.65625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
59.01250	100.0
60.01592	1.2
69.38761	1.0
69.39165	3.2
71.01254	6.2
72.83413	0.4
73.02832	1.9
74.55411	0.5
81.03317	0.6
83.01270	1.5
85.02815	2.6
93.03358	0.5
95.01297	0.8
95.04950	0.8
96.95844	0.5
97.02816	0.6
99.04416	0.7
101.02319	3.7
107.38712	0.5
109.02869	1.4
113.02328	3.4
121.02872	1.0
122.03593	0.5
123.00793	2.1
123.04299	0.4
125.02332	5.3
137.02342	11.8
137.03322	0.8
138.03140	1.6
139.55495	0.5
146.03659	0.8
148.05215	11.9
150.03194	0.9
151.41942	0.5
159.02991	0.8
159.04488	1.0
161.04456	6.6
163.07553	8.7
164.01083	2.1
164.07912	0.8
165.01859	6.2
167.03490	2.9
173.06032	1.2
174.03149	1.1
175.03952	0.8
175.07567	2.5
177.01886	0.8
179.03482	1.8
185.05861	0.6
187.07579	0.8
191.38295	0.5
191.62144	0.5
200.04732	0.6
201.09158	0.6
203.07170	1.4
217.08641	1.0
229.08711	2.2
247.09779	2.2
253.12338	0.5
267.16089	0.9
268.07446	0.8
270.08948	0.5
281.11813	0.9
301.92535	0.5
323.12949	2.5
355.13986	0.7
367.11893	4.6
385.05038	0.7
385.12811	4.7
386.13605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01515	1.0
57.03322	3.5
59.01248	5.4
60.85751	1.0
68.05550	1.0
69.03317	2.1
71.01236	2.5
71.51679	1.3
73.02847	1.3
77.03844	1.6
81.03358	1.6
83.01266	7.8
83.04867	1.2
85.02826	1.9
93.03349	4.5
95.01269	1.6
97.02831	5.5
99.00762	1.6
99.04424	1.4
109.02823	5.7
121.02843	7.4
122.03653	1.3
123.04415	1.1
124.01563	1.2
125.02331	21.3
135.04382	2.0
137.02345	75.7
138.02715	1.8
138.99451	1.5
146.03598	5.3
149.02350	3.2
150.03136	12.4
151.03896	1.9
158.03670	2.4
159.04448	1.7
161.02367	4.0
162.03152	4.3
163.00255	3.3
163.07518	1.5
164.01089	16.8
165.01845	100.0
166.02220	2.7
167.03435	6.8
172.05231	7.8
173.06021	3.0
174.03120	5.7
175.03958	5.3
175.07544	7.4
176.04611	1.3
177.01723	1.4
177.09206	1.3
179.03433	4.8
185.06017	1.4
187.03972	1.6
187.07610	3.2
188.04724	2.0
190.02728	2.1
199.03908	1.2
199.07556	2.3
200.04703	4.8
200.08394	1.8
201.05318	1.4
201.09142	20.0
202.09538	2.1
203.07137	5.5
205.08665	2.8
217.08643	15.0
218.09399	5.3
219.10205	11.8
229.08636	8.9
230.09187	1.3
236.93106	1.5
237.05595	1.8
239.06921	1.1
241.08533	1.7
247.09714	16.4
251.07173	2.2
254.05716	1.4
257.11758	1.5
259.09659	1.7
270.09116	1.3
281.11792	3.2
283.09689	2.6
287.05527	2.6
288.06396	2.0
294.08893	1.6
299.12735	1.4
323.12811	4.7
339.03647	1.5
340.44629	1.1
341.10327	1.5
341.14096	2.9
349.11136	1.4
357.04691	2.3
367.11862	14.1
368.12042	2.6
385.12927	26.0
385.22504	3.8
386.13199	4.1
408.52469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.8
59.01250	5.5
60.97272	1.1
63.92254	1.0
69.03333	1.8
69.55315	4.3
69.55724	3.4
69.68902	1.2
71.01259	2.2
77.03848	1.7
81.03351	2.0
83.01244	7.7
84.63067	1.2
85.02834	1.2
93.03333	4.0
95.01237	1.4
95.04910	2.2
95.21121	1.2
97.02811	3.5
97.06503	1.8
98.19800	1.9
107.01284	1.5
109.02837	8.9
121.02828	6.9
122.03539	1.6
123.04371	2.2
125.02340	22.2
137.02339	79.5
138.02614	2.9
139.03946	1.7
146.03647	4.7
147.04375	1.5
149.02386	2.1
150.03114	11.5
158.03703	1.6
159.04428	3.4
161.02325	5.8
162.03128	6.7
163.00270	2.0
164.01045	11.9
165.01842	100.0
166.02240	2.8
167.03400	6.0
168.24196	1.3
172.05197	12.0
173.05946	2.8
174.03130	4.2
175.03952	5.5
175.07587	8.0
176.04778	1.1
177.01871	2.5
177.09131	1.5
179.03394	5.2
185.05971	2.4
187.03908	1.2
187.07486	2.9
190.02591	1.8
191.03450	1.3
199.07578	3.8
200.04712	3.8
200.08382	1.4
201.09142	17.7
203.07048	5.2
205.08479	2.1
217.08647	13.8
218.05690	1.6
218.09410	6.8
218.99301	1.5
219.10234	11.4
220.10643	1.2
223.13417	1.5
228.08028	1.5
229.08609	7.6
237.05571	1.2
239.10851	1.4
239.38661	1.4
241.08658	2.2
247.09700	17.4
251.07193	2.5
256.80630	1.1
259.09717	2.2
263.51129	1.2
281.11743	3.0
283.10013	1.8
287.05579	2.8
288.06100	2.4
299.12796	3.1
323.12674	2.8
325.11002	1.2
349.10565	2.7
357.04593	2.4
367.11813	15.1
368.12161	2.4
385.04962	1.6
385.12921	32.8
385.22095	2.9
386.13116	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03323	1.1
59.01255	5.9
61.07392	0.5
63.34125	0.4
67.01777	2.2
68.99689	2.8
69.03321	1.3
71.01260	5.6
71.04907	1.0
72.99189	0.8
77.11231	0.4
83.01273	1.1
85.02831	5.9
85.99950	0.5
87.00755	1.9
89.02316	2.3
91.03892	1.9
93.03330	0.7
93.25355	0.4
95.01256	2.1
99.00690	0.4
101.02333	1.2
101.80705	0.4
111.00766	1.8
113.02330	4.9
121.02848	100.0
122.03095	3.8
136.30896	0.5
139.00273	0.9
157.01344	0.5
181.08629	14.2
182.08994	0.9
223.16695	0.5
231.05077	1.2
253.04736	0.5
262.02475	0.4
263.07721	23.5
264.08212	1.3
267.07242	0.4
278.92416	0.5
353.08755	0.6
385.11407	15.4
386.11777	1.8
392.44217	0.5
403.94370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61691	1.7
52.57263	1.6
55.01777	2.0
57.03336	12.6
59.01257	8.8
60.43174	1.6
71.01255	4.8
71.50636	3.1
72.99193	2.7
83.01259	2.4
84.02055	2.6
85.02827	100.0
85.39462	1.6
86.03166	2.1
87.00728	2.8
91.91270	1.7
101.02312	2.4
106.99653	1.6
111.00777	8.3
129.01852	11.5
134.03622	3.4
147.02925	8.3
149.02325	2.3
151.14270	1.5
151.91295	1.6
161.04509	2.0
164.04735	3.1
173.00896	1.8
191.01909	22.3
193.04918	2.1
193.07632	1.6
200.37500	1.4
205.03468	8.6
209.02975	5.0
214.98520	1.7
223.04477	25.6
270.40521	1.7
316.66846	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	385.093
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
57.80948	0.5
59.01255	2.7
65.00206	0.7
69.03349	1.5
70.43292	1.9
71.01256	1.2
73.02837	1.3
76.56951	0.5
81.03331	1.0
83.01290	1.4
85.02832	0.6
91.01788	0.9
93.03349	3.1
97.02838	1.7
107.01273	4.6
109.02869	0.7
111.00803	1.0
117.03420	0.8
119.01298	2.0
120.02075	0.7
121.02863	2.2
122.03625	1.3
123.00820	3.0
123.04414	0.6
124.23304	0.6
125.02349	3.7
128.60204	0.5
135.00774	11.1
137.02350	7.8
137.03337	0.8
145.02939	0.5
146.03629	4.6
147.00815	0.8
149.02361	1.7
150.03137	2.2
161.02327	1.3
161.06001	1.5
162.03087	1.1
163.00279	24.2
163.03893	0.8
164.00995	3.3
164.04735	3.0
165.01823	4.2
166.92078	0.5
175.00287	1.8
175.03976	0.9
177.01860	1.5
177.05478	0.7
179.03505	0.6
179.07066	15.9
180.07410	1.0
190.99797	79.4
191.03381	1.8
192.00571	77.2
193.01321	18.1
194.01683	0.8
201.05464	0.9
205.01378	1.8
206.02147	100.0
207.02916	50.8
208.03314	2.5
209.04486	2.4
217.01273	0.6
218.99265	0.7
267.15903	0.6
269.17581	1.2
287.05695	3.0
288.06235	1.3
341.10141	1.0
343.20908	0.5
370.06729	0.6
385.09134	29.3
385.12939	2.1
386.09555	3.6
397.61859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61691	1.7
52.57263	1.6
55.01777	2.0
57.03336	12.6
59.01257	8.8
60.43174	1.6
71.01255	4.8
71.50636	3.1
72.99193	2.7
83.01259	2.4
84.02055	2.6
85.02827	100.0
85.39462	1.6
86.03166	2.1
87.00728	2.8
91.91270	1.7
101.02312	2.4
106.99653	1.6
111.00777	8.3
129.01852	11.5
134.03622	3.4
147.02925	8.3
149.02325	2.3
151.14270	1.5
151.91295	1.6
161.04509	2.0
164.04735	3.1
173.00896	1.8
191.01909	22.3
193.04918	2.1
193.07632	1.6
200.37500	1.4
205.03468	8.6
209.02975	5.0
214.98520	1.7
223.04477	25.6
270.40521	1.7
316.66846	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31326	0.6
57.03318	1.1
58.00464	1.5
59.01252	12.4
62.54087	0.5
69.03316	2.2
69.54191	4.2
71.01263	3.4
73.02824	1.2
76.59807	0.5
83.04866	0.8
85.02853	0.8
87.00706	0.7
89.02316	6.8
91.03880	20.0
97.02814	1.4
97.06490	1.0
101.02302	1.5
109.06472	1.6
111.08040	31.6
112.08398	1.0
113.02312	1.3
123.08073	0.7
127.07537	1.1
127.11184	0.6
137.09608	2.0
139.11133	0.7
151.11165	1.2
153.09096	1.0
153.12737	1.1
163.11194	0.9
164.08249	0.6
165.12798	1.6
169.12267	7.2
171.10159	3.1
179.10672	1.1
181.12244	2.5
183.13788	1.5
191.03488	2.0
193.12302	0.9
197.11768	80.5
198.12146	5.1
199.13297	6.3
209.11742	1.2
211.13329	9.8
219.02843	1.0
225.14886	1.0
227.12854	6.3
247.20636	2.3
263.02036	2.1
263.20151	9.2
265.18048	3.6
273.18588	3.5
291.19662	50.8
292.20026	4.6
309.20709	100.0
310.21042	10.2
311.22314	2.2
383.06049	1.2
383.24475	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90406	0.3
53.34300	0.3
57.03303	0.6
59.01251	3.1
65.04661	0.3
66.35234	0.3
67.05400	0.3
70.38926	1.1
71.01247	1.0
75.12746	0.3
83.04926	0.6
89.02323	0.7
91.03881	1.9
95.04903	0.5
97.06467	1.4
101.02290	0.4
106.04106	0.4
106.89610	0.3
108.48972	0.3
111.08017	0.6
113.09609	2.1
115.07529	1.0
123.00801	0.4
125.05949	1.0
127.07486	0.3
139.11143	0.6
141.09093	1.3
151.11145	0.5
154.09923	0.4
155.10675	0.4
161.30392	0.4
163.11230	0.6
165.12779	3.1
167.10699	0.7
167.14339	1.7
179.10703	0.3
179.14360	0.3
181.12248	3.4
183.13826	1.2
191.03412	0.5
192.46457	0.3
193.12280	2.0
193.15874	0.8
195.13789	2.4
203.14343	0.3
209.11661	0.3
211.13367	3.4
213.14880	0.6
221.15382	2.5
229.14348	0.6
231.17558	0.3
239.12851	0.5
240.13640	1.0
241.14423	0.6
242.15002	0.4
245.19077	0.4
247.20601	4.3
263.01907	0.7
263.20132	0.7
265.21701	0.5
273.18573	2.9
281.21127	1.9
291.19662	37.1
292.19995	3.8
293.03140	0.4
309.20703	100.0
310.21066	10.9
314.17325	1.4
383.24344	4.2
384.24606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.9
59.01247	4.8
61.54944	0.4
61.98641	0.4
66.80005	0.3
71.01247	1.9
71.07235	0.5
71.07563	0.8
73.02801	0.5
83.04922	0.6
85.02834	0.6
89.02303	1.5
91.03875	0.7
101.02322	0.8
111.08031	2.3
113.02316	0.8
122.43624	0.5
125.09626	0.9
127.07542	0.5
127.11159	1.4
129.09084	0.5
137.09636	0.7
142.03868	0.5
149.09558	0.6
151.00171	0.4
151.11174	1.1
153.09146	0.8
153.11728	0.5
153.12764	4.3
155.10657	1.8
165.12677	0.6
167.10680	2.0
169.12228	0.9
179.05560	0.5
179.10727	0.7
179.14304	1.9
181.12247	4.3
182.11217	0.5
191.03380	1.2
193.15857	0.9
197.11801	2.7
199.13293	1.7
207.13884	2.7
215.12819	1.4
219.02966	1.0
226.12062	0.4
227.12816	1.1
228.13603	0.9
241.14600	0.4
247.20578	4.6
263.01877	1.3
263.20041	0.8
265.21713	1.3
267.08389	0.4
273.18610	3.4
275.16788	0.4
281.21222	1.8
291.19647	29.2
292.19983	2.9
293.03217	0.4
309.20694	100.0
310.21069	11.6
311.22308	0.5
323.09735	0.6
341.10858	0.9
383.06314	1.2
383.24454	4.1
384.24722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.9
57.79908	0.7
59.01244	1.9
71.10704	1.1
89.02312	1.3
91.03893	2.0
97.06454	0.9
111.08030	0.8
113.09593	1.8
115.07537	1.0
125.05952	0.8
126.06768	0.8
128.40517	0.7
139.11215	0.9
141.09109	1.0
154.09901	0.8
165.12737	2.2
167.14316	2.5
181.12253	1.7
193.12299	1.1
195.13806	2.2
211.13327	2.7
221.15431	3.0
240.13734	1.2
241.14331	1.6
247.20644	3.7
263.20120	1.1
273.18564	2.2
281.21237	2.0
291.19662	36.0
292.16928	0.8
292.19986	4.3
309.20706	100.0
310.21048	11.9
314.17609	1.4
383.24570	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27206	0.7
54.97057	0.6
55.01770	3.9
57.03327	3.8
58.00463	1.3
59.01251	42.1
69.03315	0.9
69.99464	1.7
69.99867	1.2
71.01254	40.8
72.01595	0.9
72.99175	2.6
73.02821	12.1
75.00747	5.8
81.07010	0.8
83.01254	7.7
85.02824	17.1
85.99950	1.6
87.00742	3.2
89.02319	7.8
95.01250	3.5
96.96882	0.7
97.02827	1.3
99.00752	4.1
101.02319	34.6
107.04921	1.1
109.02866	1.0
113.02327	14.7
119.03423	1.4
121.06516	3.4
121.10129	2.4
123.04426	1.9
123.60806	0.6
125.02321	0.8
125.05970	8.4
129.01859	4.0
130.18918	0.6
131.93851	0.7
137.09619	39.1
138.09943	1.5
143.08598	0.8
147.08063	3.5
149.09583	1.5
159.02930	1.6
159.08020	0.9
161.04497	5.6
161.09650	1.2
163.07588	3.5
163.11194	61.2
164.11575	3.6
173.09671	1.1
175.11180	1.2
187.07578	9.0
187.11217	1.6
188.08249	2.0
201.09256	1.0
202.09880	0.8
203.10710	100.0
204.11098	6.5
219.05035	2.2
219.10097	0.9
221.11784	38.2
222.12085	3.8
245.11813	0.7
365.16019	22.3
365.20621	1.2
366.16501	2.5
383.17096	84.5
384.17389	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67036	0.2
58.81353	0.2
59.01255	2.3
61.65590	0.2
69.33217	1.8
71.01268	0.3
73.81699	0.2
74.17736	0.2
77.06169	0.2
90.56542	0.2
93.03336	1.9
137.02339	3.3
138.02957	0.2
157.74947	0.2
163.03920	2.2
164.04701	100.0
165.05035	4.6
179.07060	78.3
180.07399	5.0
191.03378	0.3
219.02896	0.3
223.13373	0.4
286.10220	0.2
383.13406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94186	0.2
59.01249	6.5
59.80756	0.2
61.08934	0.2
65.99652	0.2
69.16665	2.2
71.01253	1.3
72.64183	0.3
73.02835	0.2
85.02814	0.3
89.02349	0.3
97.02789	0.3
101.02345	0.4
109.02800	0.2
113.02347	0.4
115.00291	0.5
124.65421	0.2
125.02338	0.2
135.04370	0.3
137.02341	0.9
138.03149	0.2
145.02829	0.3
162.03136	0.6
163.03906	2.5
164.04701	100.0
165.05045	4.8
169.34790	0.2
177.05447	1.2
178.06221	0.4
179.07057	88.0
180.07401	5.3
191.03383	0.4
219.02998	0.5
220.78731	0.2
221.08138	0.9
223.13374	3.6
224.13744	0.2
263.01978	0.6
267.12384	2.1
267.15213	0.4
292.59760	0.2
323.11545	1.4
341.12088	0.6
383.06277	0.5
383.13452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98734	1.5
71.01257	30.5
71.04913	1.5
72.99194	2.5
73.02847	1.5
85.02863	2.3
87.00768	2.1
89.02324	4.3
97.68377	1.0
101.02325	2.6
103.87514	1.1
109.02905	1.7
113.02334	4.0
115.00263	39.8
123.04443	1.1
125.02316	1.7
133.01331	68.9
134.01666	1.4
135.04469	1.3
137.02339	1.6
147.04468	1.2
159.04431	1.5
161.02309	1.6
161.04596	1.4
161.13350	1.8
162.03181	3.1
163.03920	4.5
163.11215	1.9
164.04716	79.0
165.01881	2.4
165.05042	4.8
177.05507	4.3
178.06245	2.0
179.07059	74.9
180.07405	2.8
191.03461	4.4
200.69540	1.2
207.10338	1.3
219.02931	2.1
221.08180	3.9
221.11757	3.2
223.13365	88.6
224.13654	7.4
267.12427	13.9
268.12668	1.8
293.02814	1.1
323.11234	4.8
341.12149	4.4
341.61502	1.2
383.06381	2.9
383.11340	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	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57771	0.5
59.01251	100.0
60.01594	0.7
68.11042	0.4
71.01257	2.2
71.07429	1.0
72.99187	0.6
73.02827	0.7
75.04408	0.4
83.01275	0.6
85.02798	1.0
87.00791	0.7
89.02341	1.0
93.03329	5.2
94.03642	0.4
101.02306	0.9
113.02350	1.6
121.02808	0.5
137.02344	9.8
143.03419	0.7
146.65337	0.4
163.11237	0.6
171.10161	0.7
177.01846	0.5
191.03427	1.7
203.03416	0.6
219.03006	1.5
231.03024	0.5
240.76959	0.5
257.38605	0.5
257.51016	0.4
263.02045	1.4
281.06537	2.6
291.19965	0.5
293.03046	1.0
308.19452	0.7
309.20349	0.8
383.06302	1.9
384.24094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08001	0.8
59.01253	100.0
60.01582	1.1
64.77831	0.7
71.01266	2.2
73.02810	0.9
76.20220	0.7
89.02347	1.7
101.02335	1.2
113.02319	1.1
155.83040	0.7
175.47844	0.7
291.19818	1.0
309.20874	0.9
322.27551	1.1
323.09891	1.5
327.68378	0.8
341.10995	1.9
352.19849	0.8
353.39063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
65.77195	0.5
66.41868	0.4
68.74704	0.7
69.32694	1.0
69.33102	4.1
71.04897	0.8
78.95753	0.6
84.39793	0.4
88.94054	0.5
94.66222	0.5
109.02876	0.8
151.11217	0.9
152.99500	1.6
153.12733	3.0
155.14322	0.9
163.11266	1.0
165.12743	4.3
170.05742	3.2
179.10690	11.8
180.11069	0.9
181.12263	36.3
182.12582	2.4
183.89209	0.5
192.11478	0.7
195.10213	2.6
197.11781	1.7
199.13338	100.0
200.13667	6.5
215.12825	2.7
289.18262	0.8
301.08121	0.7
363.25369	4.5
381.26559	4.1
382.26566	0.9
395.75580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73662	17.1
59.01261	100.0
72.99186	41.6
85.02846	15.3
100.60300	14.7
116.56612	14.2
136.98669	17.3
174.08441	13.2
189.01895	20.7
263.23978	14.7
289.18054	30.3
307.19089	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
69.87132	2.2
73.02832	0.6
78.95766	1.2
81.46721	0.5
90.05618	0.4
137.05983	1.0
138.06818	0.8
149.06012	0.7
151.07571	1.3
152.99496	1.4
170.05782	3.4
177.95030	0.5
199.13409	1.5
233.19020	1.4
235.20674	1.5
251.20140	3.8
277.18094	80.1
278.18408	7.3
279.19659	24.3
280.20047	1.9
295.19144	100.0
296.19489	10.0
306.18558	0.7
345.24298	0.6
363.25418	18.0
364.25787	2.7
381.26520	6.8
382.26819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42931	0.4
57.03330	0.7
59.01249	3.4
71.01276	0.8
71.04893	3.1
73.02800	0.3
74.78372	0.4
75.00736	0.4
76.49258	0.4
79.23293	0.4
80.02533	0.6
81.03331	1.6
83.04889	1.2
89.02304	0.5
91.03887	1.5
95.04890	1.3
97.06468	0.8
98.03629	0.7
98.19788	0.8
106.04133	0.8
107.04885	0.6
109.02868	0.3
109.06483	9.1
111.04401	4.7
111.08016	1.5
112.05212	0.4
121.06493	0.6
123.08019	1.1
127.07544	2.2
134.92705	0.4
135.08063	0.7
137.05980	0.4
137.09552	1.0
143.10654	0.8
145.06476	1.7
149.05995	0.3
149.09593	1.1
151.11110	0.8
151.32962	0.3
161.99908	0.3
163.11163	1.1
167.10629	2.0
177.09233	0.5
177.12738	1.2
179.10696	0.9
181.12251	0.7
191.14317	1.0
195.13855	9.7
207.17380	0.6
217.15909	0.4
225.11345	0.4
233.15385	0.5
235.13332	0.9
245.19115	4.7
246.19353	0.6
249.15088	0.4
251.16537	0.8
261.18619	0.4
271.17072	1.4
273.14807	0.7
287.16504	1.6
288.16772	0.4
289.18100	100.0
290.18460	9.9
291.19711	0.8
307.19153	10.8
308.19531	1.5
309.20602	0.8
310.21301	0.5
336.15594	0.4
337.17081	0.3
363.21863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
58.93854	0.3
59.01251	3.2
64.44772	0.3
69.03329	0.6
70.90380	0.9
71.01257	0.5
71.04881	3.1
80.02573	0.6
81.03336	1.4
83.04887	1.1
89.02326	0.4
91.03873	1.2
95.04893	1.6
97.06480	0.7
98.03609	0.9
106.04108	0.9
109.02795	0.5
109.05728	0.6
109.06474	10.3
110.03680	0.3
110.06791	0.4
111.04403	5.1
111.08031	1.1
112.05173	0.4
120.05697	0.5
121.06467	0.6
123.08043	1.0
125.09621	0.3
127.07519	2.1
137.05968	0.8
137.09618	0.9
143.10658	1.3
145.06506	1.8
149.05966	0.5
149.09619	1.0
151.11162	0.8
159.08032	0.4
167.10675	2.1
169.12279	0.4
171.10378	0.3
177.12775	1.5
179.10689	1.0
181.12207	0.7
186.82021	0.4
191.14302	0.5
195.13835	11.1
196.14185	0.9
209.11771	0.5
227.18138	0.3
233.15364	0.6
234.69211	0.4
235.13353	1.0
243.17329	0.4
245.19081	4.4
246.19324	0.5
247.17110	0.3
249.15010	0.6
251.16483	1.2
261.18649	0.7
271.16989	1.0
273.15076	0.6
287.16544	1.3
289.18085	100.0
290.18423	10.2
307.19144	9.0
308.19556	0.8
341.89343	0.3
363.21744	0.5
381.22818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.3
58.09484	1.3
59.01245	7.9
69.03339	1.8
71.01254	5.4
71.52200	1.4
74.98882	1.3
81.03342	2.0
83.01234	1.2
83.04902	4.4
85.32098	1.3
91.03878	2.9
91.71406	1.3
95.04919	1.9
97.02884	1.5
97.06458	18.1
98.03619	1.1
109.06490	1.8
109.71107	1.2
111.08026	4.4
121.06500	1.7
123.04445	4.3
123.08102	1.5
125.09589	5.1
135.59103	1.2
137.09601	4.1
141.12724	1.6
149.09645	1.3
151.11203	10.8
155.10655	1.9
163.11192	7.6
165.12746	8.5
167.10626	1.9
177.12856	1.5
179.10670	5.8
181.12233	7.0
185.11775	9.2
191.10693	3.9
191.14305	10.7
197.11710	2.1
205.12404	1.5
207.10178	3.8
209.11758	23.3
210.12102	2.3
211.13376	2.2
215.14410	1.5
225.11270	2.9
227.12833	2.5
237.11324	2.4
245.19086	27.3
246.19345	1.5
263.20258	8.3
271.17102	3.5
279.19608	2.6
289.18088	80.4
290.18457	8.5
307.19135	100.0
308.19559	9.9
348.27029	1.5
381.22592	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	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97920	1.2
57.03322	4.7
57.71846	1.5
59.01246	10.9
60.68513	1.3
69.03347	1.9
71.01262	3.7
81.03331	1.6
83.04898	1.8
95.04918	2.3
97.02836	1.7
97.06465	16.1
109.06474	2.2
111.08054	4.1
119.08527	1.9
121.06480	2.3
123.04432	3.6
125.09622	6.9
135.08028	2.6
137.09621	5.3
145.90681	1.3
149.09671	1.9
151.11168	9.0
155.10658	3.4
163.07513	2.0
163.11194	7.3
165.12785	8.2
169.12262	2.2
175.11198	1.9
177.12910	1.7
179.10707	4.0
181.12247	12.4
185.11688	7.8
191.10707	5.6
191.14311	10.3
194.79231	1.3
207.10204	3.4
209.11763	29.8
211.13364	4.3
217.15939	1.7
225.11275	2.7
235.20625	1.7
237.11472	1.4
239.09471	1.6
245.19084	27.9
246.19365	4.0
261.18372	2.1
263.20074	9.7
269.00214	1.4
271.17075	4.6
279.19601	2.6
289.18082	83.6
290.18436	7.5
307.19125	100.0
308.19464	10.1
381.23090	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01254	6.8
73.02847	2.2
74.02345	5.4
76.67639	1.0
78.04149	0.8
78.66070	0.9
85.02833	3.5
101.02343	4.1
113.02335	2.7
115.07560	2.1
116.57432	0.9
120.99548	1.5
127.11146	1.2
139.03220	1.6
157.12270	4.4
161.04486	3.5
173.06966	1.0
193.04352	2.7
206.07523	1.5
327.23792	0.9
336.10226	3.1
380.09396	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47089	0.1
55.01756	0.2
57.03326	0.7
58.00479	0.3
59.01250	2.4
62.32010	0.1
67.01762	1.1
68.41466	0.1
68.99693	0.8
69.03340	0.2
69.42427	0.2
69.42840	1.2
71.01255	2.4
72.99187	0.4
83.01273	1.0
85.02818	5.2
85.99960	0.4
87.00744	2.0
89.02335	0.3
91.03886	0.3
93.72661	0.1
95.01256	1.2
97.02874	0.2
99.00713	0.3
101.02336	0.3
111.00781	1.4
113.02337	5.0
114.02739	0.2
115.07536	100.0
116.07873	3.6
129.01843	0.9
139.00282	1.1
143.03438	0.3
155.50015	0.2
157.01340	0.6
178.25266	0.2
189.04022	0.3
205.07054	1.5
206.46503	0.2
231.05019	0.5
263.07718	5.1
264.08020	0.2
281.08722	0.5
347.13321	0.8
378.23370	0.2
379.16071	18.6
380.16428	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27546	0.5
55.01761	0.8
57.03321	2.0
59.01253	13.6
63.91823	0.5
64.29456	0.5
67.01760	0.8
67.57882	0.4
68.99711	0.6
70.65459	0.9
70.65801	1.1
71.01256	15.0
72.99181	4.7
73.02814	1.1
74.75348	0.4
75.00749	16.8
75.22327	0.5
76.65211	0.4
79.65153	0.5
80.15609	0.5
81.03322	0.5
83.01263	0.9
84.03961	0.5
85.02824	17.6
86.03165	0.6
87.00749	7.0
89.02316	3.8
91.03902	0.6
93.03336	0.6
95.01260	3.9
97.02896	0.5
99.00761	9.6
99.01357	0.9
101.02325	0.9
103.00258	2.2
111.00787	0.6
111.08057	0.5
113.02332	21.3
115.00269	1.7
117.01806	2.8
117.73472	0.4
129.01828	2.0
129.09114	100.0
130.09428	3.8
157.01341	0.8
164.75552	0.5
175.02406	2.4
189.04034	0.7
205.07086	1.1
231.04993	3.0
249.06143	20.4
267.07245	4.4
319.14078	1.2
361.15051	2.3
379.16098	73.7
380.16452	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00463	2.8
59.01252	73.8
61.97497	1.5
63.18174	2.0
69.03371	1.7
69.21922	15.0
71.01253	64.5
72.01575	2.2
72.99168	4.8
73.02825	14.9
75.99531	1.5
76.97751	1.3
83.01231	2.9
85.02809	10.0
87.00762	3.8
89.02318	100.0
95.01238	3.1
97.02846	2.5
99.00764	21.1
101.02319	42.4
113.02338	18.8
115.03930	1.5
117.83502	1.3
119.03395	23.4
125.02321	4.4
131.03418	16.0
143.03444	3.3
149.04462	45.8
160.48734	1.5
161.04442	5.7
179.05539	10.0
191.05588	11.6
233.06575	2.6
247.11894	4.6
251.07622	2.6
345.21603	1.8
379.16028	33.9
379.23480	2.3
380.02737	1.5
380.16422	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.97345	1.4
55.01728	1.7
57.03324	6.7
57.05034	1.1
58.00442	1.9
59.01250	35.9
62.11293	1.1
62.37656	1.0
67.01756	1.0
68.42922	1.1
68.99689	3.0
69.03330	1.6
71.01254	47.1
71.06769	2.4
72.99172	11.0
73.02824	2.9
74.32335	1.1
75.00750	40.9
80.02547	1.5
83.01263	2.5
85.02824	54.7
86.03102	1.2
87.00755	17.8
89.02320	14.8
90.40648	1.0
93.03380	1.8
94.39954	1.2
95.01258	12.7
99.00758	18.2
101.02332	2.3
103.00245	5.4
109.02845	1.6
111.00768	3.0
113.02333	66.1
115.00259	3.3
117.01834	6.8
127.07544	53.7
128.07919	1.7
129.01842	3.8
131.03380	2.7
133.32297	1.4
134.85143	1.2
144.91011	1.4
149.04443	1.5
149.13419	1.2
151.26352	1.5
157.01331	1.6
175.02426	5.6
205.07153	3.9
207.05031	1.9
223.08298	1.6
231.05074	3.6
249.06137	47.7
250.06386	2.9
267.07208	95.3
268.07510	4.9
341.10846	1.8
359.13245	1.6
377.14508	100.0
378.14835	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.8
59.01253	54.2
62.61699	1.3
65.26263	1.4
70.58657	3.9
71.00851	2.5
71.01250	44.8
72.99184	2.6
75.30027	1.5
83.01266	1.9
85.02831	6.2
87.00776	7.3
89.01755	2.7
89.02315	44.6
89.02834	2.9
95.01266	4.1
101.02328	16.6
113.02341	14.6
119.03385	15.5
130.77579	1.4
131.03401	1.8
133.01314	1.9
143.03406	3.3
161.04488	5.0
179.05544	20.2
179.17978	1.4
197.02209	2.0
215.03207	14.7
339.22278	1.2
341.10876	100.0
342.11273	6.2
377.08575	49.4
378.08755	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	376.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96018	15.9
53.78770	13.9
59.01255	63.6
69.21087	58.3
69.21525	100.0
69.85763	15.4
74.12080	17.3
79.03837	14.5
89.02281	15.8
92.54255	18.8
101.02289	16.3
215.14366	25.1
224.74687	14.3
341.11053	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.4
57.03321	4.4
58.00458	3.8
59.01251	96.3
69.03315	3.8
69.69448	10.5
71.01253	100.0
72.01596	2.0
72.99187	5.9
73.02824	19.5
74.34706	1.9
83.01265	13.0
85.02824	33.5
87.00772	4.1
89.02319	64.3
89.87878	1.6
95.01266	7.3
99.00780	8.1
101.02325	72.0
101.03006	3.4
102.02652	2.2
113.02328	43.7
113.09621	2.1
119.03393	32.0
121.27126	1.5
125.02368	2.3
127.11157	3.8
129.01852	1.6
130.81464	1.6
131.03409	4.6
143.03429	4.5
149.04512	3.0
149.99663	1.4
158.83803	1.5
159.02908	5.2
161.04488	25.1
179.05551	4.3
217.00117	2.5
218.99342	2.6
331.21259	13.5
375.05832	2.4
375.20328	29.7
375.27466	24.2
376.20560	2.7
376.27579	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06923	0.4
55.01739	0.7
57.03329	1.2
57.14938	0.4
58.00470	2.5
59.01252	41.1
67.66944	0.5
70.27283	1.4
71.01256	24.1
71.36588	0.6
72.99178	2.8
73.02818	1.6
82.66784	0.5
83.01272	2.5
85.02349	0.7
85.02827	7.7
87.00739	0.8
89.02319	20.2
95.01263	2.2
97.02847	0.5
99.00748	0.7
101.02324	16.0
101.03012	0.8
107.01265	0.4
111.08698	0.5
112.98688	0.5
113.02329	8.8
119.03383	6.7
124.84155	0.5
125.02382	0.6
131.03406	0.4
141.20958	0.5
143.03362	0.5
183.13788	1.1
195.13840	10.6
204.93275	0.5
213.14900	4.9
218.99329	0.5
357.19284	0.9
375.20230	100.0
376.20615	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26415	2.4
74.98969	2.0
76.59538	0.7
81.35127	0.6
86.47664	0.6
93.00020	1.5
96.55404	0.8
113.95586	0.7
149.00885	0.7
159.08392	11.6
161.06326	2.3
174.29347	0.6
209.01187	2.5
217.07190	1.6
218.99319	0.9
228.15601	0.7
229.50232	0.8
248.86940	0.7
277.07468	2.8
289.07526	2.3
291.09106	97.5
292.09186	13.4
309.10150	1.7
314.02332	0.7
339.03668	0.9
343.12515	0.8
357.13651	2.1
359.15356	100.0
360.15530	19.2
360.20029	0.4
374.34897	0.8
375.18439	7.1
376.18576	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.5
56.95527	0.6
57.03052	0.9
57.03326	17.3
59.01248	3.9
67.01778	1.2
68.99686	0.6
69.80766	1.2
69.81158	1.5
71.01254	5.9
72.99181	2.4
73.02811	1.6
75.00758	1.2
78.95763	0.5
79.95619	2.8
80.96371	0.6
83.01254	10.0
84.02042	2.7
85.02822	100.0
86.03161	2.1
96.95835	0.6
98.20506	0.7
101.02315	4.8
103.03847	1.1
107.01289	0.7
111.00768	29.0
112.01137	0.8
112.98763	0.5
129.01833	41.0
130.02199	0.8
161.04471	2.2
161.39206	0.6
169.12233	5.0
187.02417	1.5
187.17259	0.5
205.03477	24.5
206.03815	0.8
218.99365	1.7
223.04616	3.6
237.14806	0.7
289.00778	0.6
295.22729	1.1
321.97540	0.5
339.03687	1.0
357.04736	1.0
375.05734	1.4
375.18106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.7
57.03323	16.8
58.62186	0.5
59.01235	1.8
67.01756	1.2
68.99699	0.9
70.43520	1.0
70.43919	0.9
71.01250	5.7
72.99184	1.8
73.02811	1.7
75.00734	1.1
79.95589	0.9
82.65971	0.5
83.01255	9.4
84.02046	2.4
85.02822	100.0
86.03168	2.9
91.37850	0.5
99.00744	0.9
101.02315	4.3
102.69138	0.4
103.03865	0.6
111.00766	26.7
112.01035	0.5
115.03941	0.5
129.01833	41.0
130.02165	0.9
140.63066	0.5
143.14232	0.5
144.19038	0.5
161.04460	2.2
169.12265	6.0
172.83408	0.5
187.02396	2.3
195.23395	0.5
203.07048	0.5
205.03471	25.0
206.03835	0.7
223.04597	4.0
237.14925	1.0
326.82773	0.6
375.05655	0.8
375.16663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42434	1.9
52.61203	2.0
58.35175	1.8
59.01258	12.6
68.88838	1.8
71.01254	6.3
71.51415	2.7
73.98168	4.1
87.00720	3.5
89.02344	3.4
109.02840	18.4
115.03863	5.2
117.97203	6.6
121.02813	2.0
122.03572	4.7
123.00732	2.7
125.02324	2.5
125.09624	4.4
126.03109	2.9
136.01575	13.8
137.02254	2.6
144.66536	2.2
146.03624	7.7
147.04399	3.2
149.02298	4.1
150.03117	9.6
151.03947	14.9
151.11116	2.2
159.04405	2.8
161.05984	4.4
165.05467	10.5
175.03929	7.4
176.04681	8.1
187.09773	2.2
189.05498	6.7
190.06323	6.4
191.07011	6.0
195.06575	3.3
195.10208	13.7
217.76930	2.1
251.07129	5.2
255.02954	3.7
267.06693	7.8
267.12125	2.6
279.06506	12.5
282.08966	6.2
294.08987	4.7
295.09329	2.1
297.07886	4.7
297.11295	10.8
312.10043	15.3
313.10196	2.7
315.12064	3.3
315.17920	4.7
327.12372	100.0
328.12823	11.6
333.19208	2.6
334.68243	2.4
375.15469	2.6
386.35074	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44012	25.3
59.01242	39.9
61.98701	100.0
66.05113	21.9
69.77261	49.6
69.77663	86.4
124.07736	22.8
135.04398	29.4
137.18872	21.3
218.99284	73.9
245.51657	22.1
289.72424	30.3
339.03485	71.1
357.04651	50.6
374.20255	35.5
375.05649	70.0
375.21643	38.1
395.49585	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87008	0.2
56.13248	0.2
59.01252	0.5
91.67423	0.2
91.68050	0.2
93.86275	0.2
96.64627	0.2
98.20562	0.6
100.07578	0.2
101.05959	1.2
104.60971	0.2
111.15367	0.2
124.07544	0.7
125.08002	0.2
151.80884	0.2
165.10237	0.3
189.10138	0.4
218.99315	0.4
232.10883	9.8
233.11292	0.5
260.10577	0.2
272.17770	0.3
281.73840	0.2
289.17841	1.6
290.18741	2.9
316.16708	1.5
318.18362	0.2
339.03604	0.4
358.21381	1.1
359.21371	0.2
374.24472	100.0
375.05844	0.4
375.24802	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18722	0.4
55.01758	3.8
57.03048	0.9
57.03323	17.7
58.40969	0.5
59.01250	4.2
67.01749	0.6
68.99693	1.0
69.42056	3.3
71.01250	7.2
72.99164	1.4
73.02824	2.2
75.00738	1.5
76.35144	0.5
83.01257	22.1
84.02028	1.8
85.02823	100.0
86.03159	2.2
87.00786	0.7
99.00777	1.0
101.02314	5.2
103.03894	0.5
109.02859	0.6
111.00764	28.9
113.02381	0.7
118.97982	1.4
123.08079	0.6
128.06653	0.5
129.01831	37.9
130.02194	1.3
158.79057	0.5
161.04462	3.3
167.10678	5.9
168.10846	0.5
169.12216	0.4
171.09996	0.4
177.03952	0.5
187.02361	1.7
201.11269	0.7
205.03465	23.3
206.03789	0.8
223.04497	5.4
236.14127	0.5
262.69406	0.5
289.16611	1.1
327.03702	0.6
359.27194	0.5
359.36273	0.5
373.15396	0.7
373.20587	0.6
373.25873	3.2
374.26367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.8
57.03324	18.6
59.01247	3.9
67.01750	1.6
68.99674	1.2
69.43519	2.4
69.43929	0.9
71.01250	7.5
72.99176	1.2
73.02809	1.9
75.00745	1.2
81.04684	0.4
83.01258	10.2
84.02040	1.8
85.02822	100.0
86.03149	1.8
87.00729	0.6
99.00761	1.0
101.02327	3.8
103.03899	0.4
106.76181	0.5
111.00764	26.1
111.28692	0.5
112.01111	1.0
129.01833	36.9
130.02168	0.6
132.73470	0.4
161.04468	1.9
167.10692	5.5
187.02368	1.2
205.03468	20.3
206.03874	0.7
223.04539	4.5
235.13332	0.6
312.22189	0.5
373.14813	1.2
373.25949	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.7
57.03324	18.1
59.01241	1.9
59.92283	0.6
61.27030	0.5
67.01778	1.5
68.99704	0.8
71.01258	5.4
72.99176	1.1
73.02806	2.1
73.07933	0.5
73.35983	0.5
75.00736	0.9
79.95572	0.6
81.91008	0.5
83.01254	8.0
83.55287	0.5
84.02042	2.1
85.02824	100.0
86.03162	2.5
87.00739	0.8
98.19797	1.7
101.02332	3.6
111.00765	26.9
112.01087	0.9
127.96265	0.6
129.01830	43.7
130.02156	1.2
161.04524	3.1
167.10701	7.1
187.02478	1.8
205.03484	19.6
205.05432	1.0
206.03716	0.9
313.11063	0.6
327.03503	0.8
373.15201	1.1
381.69888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32800	18.0
59.01225	23.2
60.34124	18.0
61.83546	16.9
61.98705	100.0
69.51418	49.8
69.51841	75.9
86.88523	17.2
98.20465	42.6
113.21231	18.4
163.08369	17.5
327.03549	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15859	27.0
59.01227	37.9
61.98687	100.0
62.53687	23.8
72.77519	23.2
73.02809	24.3
98.20649	60.7
121.02969	24.5
143.22118	23.7
150.77837	25.2
178.99779	27.3
229.50819	27.4
242.48726	25.7
327.03787	29.5
373.04126	30.2
373.20059	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.6
59.01250	100.0
62.91694	1.3
69.96382	1.3
70.99053	3.2
70.99430	2.7
71.01251	1.6
78.41842	1.3
81.03339	1.7
83.04897	2.8
121.02845	1.6
130.08627	2.9
148.55614	1.5
195.10695	1.2
371.22031	4.1
371.27533	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.8
57.03324	16.7
59.01250	7.7
67.01752	1.0
68.99699	1.2
70.61736	2.6
71.01256	7.4
72.99188	1.3
73.02837	1.3
75.00743	1.5
83.01257	10.1
84.02034	2.9
85.02824	100.0
86.03160	2.8
99.00779	0.9
101.02344	4.3
111.00764	26.0
121.10130	1.9
129.01839	37.6
130.02150	1.1
161.04449	2.7
165.09140	4.2
166.55519	0.9
187.02449	1.2
205.01627	1.6
205.03476	20.7
206.03928	1.2
223.04501	5.3
268.95279	0.9
371.24445	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91882	0.6
55.01762	3.7
57.03324	18.8
59.01254	2.4
67.01756	1.2
68.27068	0.4
68.99677	0.5
69.28034	3.9
69.28459	1.1
71.01255	5.9
72.99174	1.5
73.02842	1.2
75.00738	1.6
80.98811	0.5
83.00798	0.9
83.01257	9.2
84.02050	2.9
85.02824	100.0
86.03162	2.0
86.76842	0.5
87.00706	0.5
88.01535	0.5
99.00772	0.7
101.02343	3.8
103.03915	0.6
109.02846	2.6
111.00768	26.1
121.10134	2.5
129.01843	36.6
130.02194	0.8
136.01599	0.8
143.94778	0.6
151.03926	1.7
151.97223	0.5
159.02940	0.5
159.04424	0.5
160.05222	1.7
161.04475	2.2
165.09146	3.9
167.38945	0.5
175.07581	1.4
179.05566	0.7
187.02435	1.8
205.03471	19.2
206.03745	1.1
221.26375	0.5
223.04564	5.1
267.06650	4.5
282.08923	2.8
297.11331	3.1
298.12161	0.6
327.12347	3.4
342.55515	0.6
371.11221	0.8
371.24094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.67412	0.9
57.03317	1.8
59.01255	14.2
62.40614	1.0
68.99670	1.6
69.03318	1.0
69.76989	3.5
69.77400	2.3
71.01256	16.3
72.99175	6.3
73.02817	2.4
75.00745	17.3
75.80130	0.8
79.78303	0.9
85.02827	19.7
87.00754	8.0
89.02312	4.4
93.03320	1.2
95.01267	6.5
99.00769	10.2
100.01112	1.1
101.02315	1.6
103.00262	3.1
112.01685	0.9
113.02335	28.8
115.00262	2.2
117.01817	3.3
121.02847	100.0
122.03177	3.3
129.01843	2.1
157.01280	1.4
175.02415	4.1
193.03392	2.5
193.60419	0.9
210.40590	1.2
231.05077	3.5
249.06129	28.5
335.36374	1.0
353.09061	1.5
371.09827	76.5
372.10358	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	371.0771
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01250	1.4
61.64772	0.2
69.18292	0.9
69.18708	1.3
70.81824	0.2
71.33997	0.2
85.37494	0.2
85.64367	0.2
93.03352	0.3
121.02848	100.0
122.03181	4.0
149.02345	0.7
179.03423	10.8
180.03691	0.4
181.06538	0.6
225.05563	0.9
239.06935	0.5
283.06073	0.3
300.63922	0.3
340.09161	0.3
360.65289	0.2
371.07718	12.0
372.07907	1.5
388.15897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03312	2.8
58.00452	1.4
58.60326	1.3
58.74597	1.2
59.01247	19.1
64.41760	1.3
65.11673	1.3
66.86536	1.2
67.01769	1.5
67.89997	1.4
68.99692	2.3
69.03303	1.5
69.45744	6.8
69.46155	2.8
71.01238	14.6
72.99174	5.5
73.02801	2.1
75.00747	17.0
79.37708	1.6
80.77003	1.2
83.01261	2.4
85.02821	19.1
87.00745	6.5
89.02316	5.4
91.03864	1.5
93.03320	1.8
95.01254	4.7
98.20547	1.9
99.00767	10.4
103.00273	1.7
108.95327	1.2
113.02326	27.2
115.00240	1.9
117.01833	2.4
121.02839	100.0
122.03164	3.6
148.66533	1.4
175.02351	2.9
196.79555	1.5
231.04987	7.0
249.06123	86.6
250.06444	4.1
255.17166	1.3
294.43625	1.2
371.05066	3.1
371.09796	61.1
372.10007	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	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77802	0.4
57.03330	0.6
57.67501	0.4
59.01250	6.5
69.38889	0.5
70.43311	1.0
71.01279	1.1
83.70762	0.5
89.02316	2.7
91.03885	9.6
98.19775	0.5
113.09595	1.5
137.06000	0.5
138.06731	0.5
141.39627	0.4
151.07591	1.0
169.12263	0.4
170.05801	3.5
171.10143	1.4
179.14291	1.3
195.13835	16.0
196.14169	0.9
233.19063	0.9
251.20111	1.4
277.18082	82.2
277.21634	16.0
278.18420	7.8
278.22018	2.3
295.19162	42.3
295.22778	100.0
296.19492	3.3
296.23123	9.6
334.76587	0.5
369.04666	0.9
369.22803	56.1
370.23163	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	369.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.3
58.00474	0.3
59.00996	0.3
59.01247	4.5
59.64594	0.3
62.07735	0.3
69.57452	0.7
69.57872	1.1
71.01254	0.8
74.74867	0.3
83.04889	0.3
85.81238	0.2
89.02310	2.6
91.03881	11.3
95.28252	0.2
97.06487	0.3
102.39839	0.3
113.09586	2.2
117.50924	0.4
154.10721	0.3
157.94766	0.3
177.12709	0.6
179.14325	1.1
181.12260	0.5
195.13829	14.9
196.14168	0.8
233.22530	0.3
249.00505	0.3
277.18246	1.2
277.21689	15.1
278.22092	1.7
295.22760	100.0
296.19760	0.6
296.23102	10.9
369.22806	0.8
373.40482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.31509	0.9
59.01235	1.7
71.18375	1.5
81.26122	1.1
83.70934	1.1
93.47709	1.2
98.81844	1.1
133.06496	9.1
139.29240	1.2
143.90500	1.0
149.09624	87.4
150.09984	5.0
168.88649	1.1
205.15916	46.6
206.16255	4.6
215.55554	1.2
295.16959	4.0
328.16699	1.7
367.26410	100.0
368.26828	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.7
59.01249	2.9
69.80073	0.6
69.80477	0.6
71.01244	0.2
74.88960	0.2
83.04877	0.4
83.59328	0.2
85.06438	0.2
91.03851	0.4
93.03320	0.3
97.06466	0.7
106.81960	0.2
109.06456	0.4
113.09603	16.1
114.09923	0.5
123.08003	0.3
135.11670	0.4
139.11176	1.6
141.09132	0.3
149.09592	0.5
153.12782	0.2
167.10678	2.3
177.12723	1.3
179.10649	2.0
195.13840	2.7
195.17519	0.4
249.22200	2.2
270.57809	0.2
275.20200	0.5
293.21207	100.0
294.21533	12.5
367.24744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43997	0.4
57.03318	0.4
58.44361	0.4
58.65605	0.3
59.01252	6.4
70.26509	0.7
70.26900	0.9
71.01241	1.1
72.68714	0.3
79.66111	0.4
89.02312	3.2
91.03880	11.5
97.43309	0.4
111.08024	0.9
112.16732	0.4
113.09586	0.7
115.48159	0.4
149.05954	1.0
167.10748	0.4
171.10147	1.1
177.12791	0.7
179.14290	1.5
195.13809	7.6
196.14374	0.6
199.16982	0.6
205.12306	0.8
205.15834	0.9
211.13475	0.5
223.13354	5.6
224.13676	0.5
228.13647	0.9
231.21091	0.5
237.60046	0.4
249.22131	0.4
256.13202	1.8
265.13748	0.4
275.17371	0.7
275.20123	5.6
276.20413	0.7
277.21719	1.0
289.88037	0.4
293.21216	100.0
294.21545	12.0
295.22809	1.4
300.72830	0.4
307.10269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.2
59.01246	3.0
69.03316	0.4
69.39123	1.7
69.39530	1.0
85.06451	0.5
89.02297	0.4
91.03853	0.6
97.06457	0.9
109.06487	0.9
112.36819	0.3
113.09610	17.8
113.28008	0.3
114.09946	0.5
116.28093	0.3
135.11691	0.5
139.11206	1.9
149.09602	0.7
163.75537	0.5
167.10728	2.3
177.12733	1.1
179.10715	2.2
195.13875	2.5
221.16380	0.4
230.82178	0.4
249.22223	1.8
262.39133	0.4
270.02869	0.4
275.20239	0.7
293.21225	100.0
294.21561	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	367.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
58.00460	0.3
59.01252	5.7
62.07790	0.3
62.51437	0.3
69.03317	0.6
71.01240	1.3
71.52016	0.5
75.00725	0.4
83.04883	0.3
89.02313	3.0
91.03886	12.8
91.04465	0.7
92.04227	0.3
95.04900	0.5
97.02830	0.7
97.06449	0.4
106.60238	0.3
111.08073	0.8
113.09584	0.7
141.09109	0.4
171.10129	0.5
177.12822	0.4
179.14328	1.4
181.12245	0.3
190.99658	0.3
195.13843	10.7
196.14352	0.8
205.12253	0.9
205.15903	0.8
211.13310	0.5
223.13315	5.5
224.13919	0.4
228.13692	0.7
256.13150	2.0
261.11005	0.7
262.11813	2.3
265.21741	0.4
275.20154	7.0
276.20392	0.5
277.21719	2.1
293.21219	100.0
294.21555	10.2
295.22769	12.8
296.22855	1.3
307.10342	0.6
309.20615	0.7
313.44852	0.3
318.07758	0.3
331.18915	2.1
347.98865	0.3
367.16254	0.3
367.24506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44824	0.4
56.37556	0.4
57.03318	0.5
59.01241	4.7
63.37079	0.3
66.86652	0.3
71.01244	1.1
71.04883	0.4
85.06457	0.3
89.02316	2.6
91.03881	12.4
95.04905	0.5
97.02851	0.5
98.53066	0.3
107.10275	0.3
111.08009	0.6
113.09596	0.9
167.10652	0.4
179.14336	1.2
179.93875	0.3
183.76495	0.4
195.13826	9.3
196.14308	0.8
198.88850	0.3
205.12267	0.9
205.15813	0.8
223.13336	7.2
224.13737	0.6
228.13651	0.8
256.13083	2.2
262.11807	0.9
265.21829	0.6
275.20148	5.4
277.21725	0.9
293.21213	100.0
294.21539	10.8
295.22809	4.8
296.23010	0.6
300.00394	0.4
331.18918	1.1
367.24606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01381	0.5
55.01749	2.1
57.03321	4.2
58.00469	1.3
59.00952	1.1
59.01251	22.1
69.03324	1.0
69.39458	5.1
71.01254	56.7
72.01573	0.9
72.99178	2.2
73.02815	14.4
73.99554	0.5
75.00748	1.3
83.01253	5.9
85.02824	21.4
85.99956	0.8
87.00755	14.4
89.02320	14.0
94.27350	0.5
95.01256	3.6
97.02821	0.9
99.00750	6.1
101.02324	26.5
104.40576	0.6
111.00778	1.7
113.02335	21.1
119.03381	4.2
119.04874	0.8
125.02274	1.1
129.01837	1.3
143.03412	1.6
146.76263	0.5
149.09631	4.3
159.02896	4.6
159.08051	1.1
160.08786	1.0
161.04462	16.9
161.09619	1.2
163.03918	0.6
171.08240	0.6
173.09651	3.1
175.11183	11.5
176.11525	1.0
177.09105	1.2
177.12762	5.9
179.05531	1.1
187.11192	6.6
189.09138	1.1
189.12811	0.7
190.09964	0.8
191.10762	1.7
201.09106	0.8
201.12773	0.7
203.10770	1.3
204.11520	16.1
205.12282	100.0
206.12642	7.1
217.12341	0.6
219.10255	1.7
219.13795	1.1
229.12279	5.4
231.13696	0.8
247.13356	9.8
248.13480	0.6
259.13406	2.7
266.56424	0.6
277.14511	1.6
279.92206	0.6
307.17636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	6.1
57.03334	3.4
58.34542	2.0
59.01250	30.7
59.27031	2.5
65.87775	2.1
68.27856	1.8
69.95751	10.5
71.00898	3.2
71.01257	44.9
72.51286	2.1
72.99162	2.3
73.02442	2.8
73.02821	28.6
74.15082	2.0
79.47028	2.0
81.01707	2.3
83.01279	11.5
85.02831	24.8
87.00730	3.1
88.91878	1.8
89.02305	8.0
90.34554	2.0
97.02813	3.9
99.00746	9.3
101.02326	59.0
104.92511	2.1
111.00783	2.9
113.02335	22.2
120.14383	2.2
125.02293	4.3
131.03366	3.5
134.03633	5.0
143.03387	2.9
150.95435	2.0
159.02902	4.6
161.04466	13.8
193.04958	4.8
233.06828	2.8
235.11827	100.0
236.12215	6.0
367.16077	69.6
368.16571	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	366.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12922	2.1
56.66081	2.2
59.01252	13.9
61.98705	100.0
70.15636	8.2
71.01251	9.9
72.99165	2.5
73.11374	2.1
75.00733	2.6
85.02807	5.5
89.02296	8.7
90.74501	2.2
101.02319	5.3
113.02314	3.9
113.60616	2.2
115.07523	7.8
116.07848	6.3
205.12349	2.8
348.17587	2.5
366.14719	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	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77635	0.3
59.01249	3.8
70.48045	0.7
70.48381	0.7
91.05417	0.4
91.58288	0.3
101.03856	0.5
104.83215	0.3
119.04961	0.7
121.02854	1.1
135.04393	0.6
147.04430	2.1
148.05203	100.0
149.05524	4.7
163.03928	6.2
163.07556	64.1
164.04430	0.4
164.07890	3.3
181.09685	0.4
205.05025	0.5
311.45352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	34.5
60.67270	10.8
69.17802	100.0
94.24589	8.4
95.12237	9.2
111.32811	11.5
145.44647	9.8
177.81789	9.1
260.37845	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01765	0.4
55.40065	0.3
59.01237	1.5
61.84434	0.4
70.85403	0.7
71.04887	0.9
78.95763	0.6
93.55640	0.3
99.04392	0.5
122.54890	0.3
125.09577	0.4
153.12805	0.4
155.14375	0.5
158.94704	0.4
163.11192	0.6
165.12717	3.0
181.12251	1.7
199.13335	31.9
200.13647	1.9
225.89061	0.4
235.07503	0.4
347.25879	4.7
365.26950	100.0
366.27304	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.39170	0.4
59.01252	0.9
62.65516	0.4
69.04128	0.4
70.43207	1.0
70.43539	0.4
77.42107	0.4
85.06454	3.0
173.46919	0.4
199.13391	2.2
207.51085	0.5
223.16684	0.4
261.18579	1.3
279.19684	17.3
280.20047	1.8
347.25900	6.6
348.26190	0.9
363.25333	0.9
365.26953	100.0
366.27295	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	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01250	4.3
71.01247	0.9
71.52042	0.6
74.80229	0.3
75.09474	0.4
78.95777	0.7
83.04890	0.7
85.02868	0.3
88.79592	0.3
89.30442	0.3
91.03896	0.5
95.04897	0.8
97.06490	0.3
109.06454	0.4
110.98412	0.4
111.08043	7.9
111.52495	0.3
112.08449	0.4
113.09623	0.5
115.34155	0.4
121.10088	2.0
123.08012	0.5
125.09627	1.0
127.07478	0.4
134.15288	0.3
136.64177	0.4
137.09573	0.6
147.08018	0.3
149.09624	0.5
151.11188	0.4
161.93227	0.3
167.10674	1.6
177.12779	1.8
179.10692	1.4
185.11761	1.7
195.13858	5.2
203.14447	0.5
247.20641	2.2
273.18597	1.2
291.19656	100.0
292.19995	9.1
365.23520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
59.01252	4.1
65.63316	0.3
69.53023	1.2
69.53433	0.8
71.01243	0.5
71.04873	0.4
83.04902	0.8
89.02288	0.6
93.03300	0.5
94.09068	0.3
95.04901	1.0
97.06469	0.4
98.19849	0.8
109.06487	0.5
109.76969	0.4
111.07289	0.7
111.08035	10.9
112.08437	0.3
135.76321	0.3
137.09608	0.7
151.11092	0.3
167.10713	2.1
177.12726	2.4
179.10730	2.5
195.13844	7.3
196.14192	0.6
203.14320	0.5
247.20616	2.5
273.18594	1.6
291.19656	100.0
292.19986	10.6
346.66733	0.4
365.23315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43234	0.3
57.03315	1.0
59.01252	4.9
59.36434	0.3
59.56737	0.3
67.10217	0.3
71.01249	0.7
71.51448	0.5
83.04893	0.8
91.03887	0.7
95.04899	1.1
102.70753	0.3
102.93553	0.3
109.06474	0.6
111.07287	0.6
111.08043	10.2
112.08361	0.4
118.94199	0.3
135.11676	0.4
137.09567	0.8
138.49814	0.4
149.09615	0.6
167.10701	2.1
177.12787	2.9
179.10660	1.9
195.13832	8.1
196.14168	0.4
247.20581	1.9
262.30289	0.3
263.20178	0.6
273.18604	2.2
291.19656	100.0
292.20010	11.5
365.23358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67581	0.4
57.03321	2.9
59.01250	14.2
67.01767	1.1
68.99679	1.4
71.01254	15.3
72.99197	3.8
73.02819	1.4
75.00747	16.5
76.01102	0.6
76.78139	0.5
83.01246	0.9
85.02825	16.6
87.00739	5.5
89.02325	3.8
93.03355	0.5
94.80464	0.5
95.01266	3.4
97.32766	0.4
99.00756	7.4
101.02306	0.6
103.00233	2.3
111.00755	0.7
113.02335	17.1
114.02705	0.6
115.00240	1.5
115.07535	100.0
116.07869	3.3
117.01816	1.9
129.01857	1.6
169.63438	0.4
175.02380	2.2
205.07201	0.8
231.05055	1.9
249.06129	12.1
250.06476	0.6
267.07202	1.3
305.12582	1.0
347.13440	2.0
365.14490	41.2
366.14874	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03331	2.9
58.00460	0.9
59.01250	16.1
67.01775	0.4
68.99683	0.7
69.03336	0.5
71.01253	18.9
71.07423	0.8
72.99176	5.3
73.02807	1.7
75.00743	17.7
83.01259	1.2
84.02038	0.6
85.02820	23.1
86.03166	0.4
87.00745	7.7
89.02320	6.4
91.03928	0.6
93.03339	0.4
95.01270	6.0
99.00757	11.3
101.02334	1.5
103.00241	2.8
111.00771	0.7
112.01505	0.5
113.02330	29.4
114.02692	0.8
115.00240	1.8
115.07534	100.0
116.07859	3.6
117.01827	3.9
121.05457	0.3
126.21992	0.3
129.01851	2.0
131.03384	1.0
139.00275	0.5
149.04276	0.3
157.01305	0.9
175.02403	2.9
181.78506	0.3
189.03909	0.3
203.10672	0.8
205.07108	2.2
223.08209	1.2
231.05095	0.7
249.06117	5.4
249.08575	0.5
267.07214	5.3
305.12476	0.7
347.13412	1.6
365.14493	57.1
366.14886	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01244	2.2
59.58706	0.3
66.90691	0.3
70.53696	0.5
70.54032	0.7
71.01254	0.6
73.02805	0.8
85.02834	1.7
88.81933	0.3
89.02309	0.6
101.02319	0.8
113.02348	0.5
140.68112	0.4
145.02869	1.4
147.04326	0.6
158.03638	16.0
159.04433	5.5
171.04419	1.7
173.02406	1.0
173.05981	0.5
184.05203	0.4
191.86990	0.4
201.01826	0.8
201.05501	3.0
202.02646	100.0
203.03148	8.5
212.93086	0.5
213.05531	2.4
226.23322	0.3
227.03380	0.5
231.06528	1.4
243.06429	0.4
244.01443	0.4
245.04539	1.2
275.05621	2.0
365.08737	52.6
366.09100	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.7
58.00457	5.4
59.01251	100.0
62.56010	1.3
67.01733	1.7
71.01250	62.6
71.52462	2.0
72.99180	8.3
73.02802	2.3
77.81642	1.1
78.95756	4.4
83.01262	2.5
85.02820	15.2
86.03134	1.7
87.00746	2.9
89.02316	65.6
95.01252	3.7
100.20702	1.3
101.02319	49.6
102.90777	1.3
111.00751	1.7
113.02315	24.4
119.03381	35.8
119.08548	1.9
131.03403	3.3
143.03381	2.5
146.23683	1.4
149.04434	3.3
155.14314	2.1
161.04501	2.6
168.84749	1.2
179.05542	2.8
183.13826	24.4
184.14037	1.6
184.15761	1.3
201.14874	4.4
289.18124	3.0
345.04626	1.6
363.20203	95.0
364.20563	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	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03318	14.0
59.01245	16.5
62.71812	1.4
70.85211	3.3
71.01242	7.5
72.99176	2.2
75.00742	3.5
83.01251	7.6
84.02035	1.6
85.02824	100.0
87.00756	2.2
89.02296	2.0
99.00783	2.3
101.02319	6.3
104.43962	1.5
111.00758	23.7
113.02357	3.3
113.05975	6.7
129.01839	32.4
157.08571	7.4
161.04488	1.9
172.90974	1.4
187.20932	1.5
205.03477	26.1
209.82780	1.6
223.04489	7.5
226.20448	1.7
229.69296	1.6
243.59972	1.7
267.07169	3.9
326.81769	1.5
363.12808	5.6
363.16827	3.0
363.23956	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	358.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97601	0.6
57.03339	3.4
59.01247	0.6
68.66204	0.6
71.01247	2.4
71.31663	1.0
72.00781	3.5
81.03301	0.9
83.01263	1.3
93.03347	1.1
95.01269	0.9
95.04893	1.5
97.02760	1.0
100.00281	6.2
107.04901	1.7
109.02820	3.6
111.04407	3.6
113.02341	1.0
117.03352	4.2
120.01167	0.7
122.03629	1.3
123.04401	7.1
125.02335	42.8
133.02849	10.2
134.03642	2.5
135.04414	100.0
136.04742	3.4
137.02348	7.8
148.03902	0.6
149.02328	0.7
150.05547	1.5
151.03932	4.9
152.07097	1.4
160.03949	13.2
161.02353	40.0
162.02667	1.9
167.03462	2.0
176.03496	1.8
178.05017	59.4
179.03427	8.5
179.05331	2.6
193.01324	0.8
196.06073	4.3
197.04486	36.5
197.41724	0.6
222.04027	39.7
223.04396	1.6
265.03574	1.5
275.72958	0.7
276.21591	0.7
314.10370	1.8
358.09296	13.1
359.07394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38506	1.7
59.01252	100.0
60.14512	1.8
61.45671	1.4
69.54008	1.6
71.09715	2.7
87.62696	1.6
121.02831	5.2
123.23708	1.8
148.69022	1.4
164.58336	1.7
169.12228	1.8
223.13364	3.0
380.21616	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99902	1.6
58.57805	1.5
59.01252	100.0
97.56667	1.5
104.41519	1.6
118.97973	5.9
121.02849	4.0
165.15210	1.9
192.77051	1.7
223.13428	3.5
226.46262	1.5
238.20213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Negundin B
Peak:m/z	Relative Intensity
59.01245	5.3
61.29434	1.0
69.20293	12.2
85.02863	1.1
87.04378	2.8
89.02349	1.1
93.03329	1.9
108.02056	26.0
109.02896	2.1
111.93005	1.1
121.02816	3.1
121.06446	2.8
123.00785	1.4
123.04405	33.8
124.04758	2.1
131.04942	1.8
134.03590	1.7
135.04425	2.1
136.01550	3.0
137.02348	1.2
142.70605	1.1
145.02869	2.3
145.06448	1.4
146.03627	3.7
147.04443	4.9
148.05215	10.4
149.02368	4.1
149.06021	9.1
150.03125	8.2
151.03883	1.6
158.03668	6.7
159.04449	17.2
159.11855	1.4
160.05222	27.6
161.02422	1.9
161.05948	5.6
162.03152	6.5
163.03854	1.6
164.04672	2.5
165.05449	3.3
171.10205	1.1
173.05986	3.1
174.03117	8.9
175.03978	2.6
175.07552	7.9
176.04706	7.6
177.05489	99.3
178.06259	28.6
179.06703	1.4
187.03940	17.7
188.04712	21.1
189.05399	2.6
190.06296	2.4
191.03395	1.6
191.07068	32.2
192.04245	2.8
192.07770	12.1
193.08542	2.6
201.05502	1.5
203.07072	100.0
204.07422	7.9
206.05765	22.3
210.05318	10.4
219.06514	3.2
220.07315	3.9
221.08133	77.0
222.08455	4.7
224.06851	17.0
233.05971	1.3
233.08110	2.0
251.07106	4.2
263.07059	3.2
267.06509	1.5
268.07532	1.6
279.06558	4.0
280.07275	3.5
281.08188	7.0
291.06729	3.0
294.08798	1.5
295.09729	2.8
296.10529	2.2
297.07602	3.7
297.10739	1.5
297.17032	2.9
298.08826	1.6
299.12802	2.4
309.07773	5.6
311.12875	4.0
312.09979	2.6
313.10855	4.6
315.18033	12.9
321.11392	1.7
324.09988	4.1
327.08679	2.4
327.12302	20.1
328.12766	2.5
339.12360	41.1
340.12711	4.7
342.10974	2.7
357.13452	36.4
357.19101	4.6
358.13824	3.5
361.49594	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	357.1342
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.44705	0.2
59.01255	0.7
69.03329	0.6
69.78086	0.9
72.97433	0.2
74.45162	0.2
76.01102	0.2
84.02023	0.4
85.02828	0.5
93.03335	1.5
95.01268	0.4
107.04912	0.2
108.02049	1.8
108.08107	0.2
109.02883	0.8
109.40874	0.2
111.00841	0.2
114.09117	0.2
121.02848	8.7
122.03650	2.6
123.00787	0.5
123.04454	0.2
124.01532	0.7
125.29553	0.2
134.03680	1.0
135.04454	0.4
136.01566	71.0
137.02216	2.8
145.02849	0.2
149.05980	0.4
151.03920	100.0
152.04271	4.1
153.01843	0.2
154.02649	0.5
159.04427	0.7
160.04030	0.1
160.05151	1.2
161.02295	0.5
161.06056	0.2
162.03128	1.4
163.03928	1.5
175.03888	0.9
175.07568	1.7
176.04602	0.4
177.01884	0.2
177.05545	1.2
179.03433	0.5
187.03897	0.4
188.04736	0.3
189.05524	0.8
190.06306	0.3
193.04999	0.3
195.06616	0.3
203.07091	0.3
205.04778	0.2
208.00409	0.2
214.66139	0.2
239.12910	0.2
241.05171	0.3
252.90257	0.2
267.06668	0.3
296.10532	0.2
311.12869	1.1
314.07895	0.2
315.18054	0.5
327.12164	0.3
342.11111	4.6
343.11560	0.3
356.21613	0.2
357.13446	19.2
358.13809	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	355.0883
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
57.03329	7.4
59.01251	21.8
71.01249	42.1
71.50528	6.4
71.50997	7.1
72.23074	6.5
72.99181	33.6
73.02795	34.2
75.00742	12.6
78.95762	7.4
85.02823	69.4
87.00766	24.6
89.02363	6.7
95.01273	19.0
96.95898	28.2
99.00761	16.4
101.02314	14.2
113.02337	100.0
115.00287	7.1
126.98772	27.6
129.01793	17.2
131.03412	25.1
157.01349	9.0
168.99825	14.1
175.02428	47.4
179.05539	13.3
184.97871	15.1
226.98959	23.6
269.00027	40.0
270.00403	8.8
294.97964	19.0
355.08768	81.5
358.21725	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	355.1032
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.69705	1.3
58.09589	1.1
59.01245	10.5
60.23620	1.0
62.29820	1.1
63.80029	1.1
69.29303	1.3
71.01253	5.8
72.39742	1.4
74.38770	1.2
77.22344	1.2
81.18172	1.2
84.38155	1.1
89.02347	4.1
101.02322	2.5
113.02332	3.4
132.02086	12.8
134.03638	7.5
151.03925	1.9
160.01579	67.1
175.03932	100.0
176.04279	5.6
181.46526	1.2
191.06926	3.0
193.04996	17.9
217.05028	5.2
235.02490	2.5
235.06102	2.0
353.04041	1.2
355.10419	4.1
360.31775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
57.85110	1.6
58.20356	1.5
59.01253	2.4
71.51521	2.7
85.02826	2.5
94.01984	1.6
109.02839	2.4
111.00756	2.0
122.03599	10.0
122.25692	1.8
127.07511	2.6
135.04419	30.7
136.01598	3.6
147.08002	2.3
149.09641	8.0
151.07565	2.7
154.02629	3.1
161.09596	9.4
163.07541	2.0
163.11200	50.5
164.08359	16.0
164.11485	3.8
165.09100	8.5
177.09123	71.6
178.09875	24.2
179.10699	87.3
180.10980	4.8
183.10101	2.1
183.78732	1.8
191.10742	15.3
193.08615	11.6
252.14484	1.6
265.12491	2.0
280.14636	4.3
298.15723	54.1
299.16150	5.1
337.21729	51.1
338.22031	5.4
340.20422	92.3
341.20663	10.8
351.44934	2.1
355.22791	100.0
356.22928	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
63.92913	0.5
65.16364	0.4
69.08837	0.4
69.86562	0.8
69.86919	1.8
76.35840	0.4
107.77672	0.4
117.93927	0.5
118.35202	0.4
121.02842	100.0
121.36237	0.5
122.03157	2.9
165.01881	1.3
180.05751	1.6
181.06493	6.9
225.05484	5.3
226.05818	0.5
291.19653	0.5
313.07190	6.7
314.07355	0.7
357.06140	28.9
358.06592	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	354.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53830	0.2
54.28182	0.2
56.27785	0.2
56.97960	0.3
57.03334	0.3
58.99446	0.3
59.01238	0.5
61.71966	0.3
69.36507	1.9
78.06272	0.3
85.32758	0.2
105.03338	1.0
120.25213	0.3
121.02864	1.5
123.00781	0.9
125.02386	0.3
126.08000	0.3
130.08673	0.5
133.02814	0.4
138.03165	1.3
143.18512	0.3
145.02852	0.7
150.03157	0.4
153.05388	0.4
160.01642	1.5
161.02354	22.7
162.03253	2.3
163.03894	0.3
165.05481	0.9
167.98772	0.3
175.03935	3.4
176.04718	5.6
177.05493	11.3
178.05937	0.3
179.01694	1.6
183.01144	1.0
190.99934	0.2
193.01361	0.7
194.00331	1.2
194.99384	0.5
195.01160	9.1
196.01430	0.4
207.02921	0.3
209.02725	16.5
210.03500	27.4
211.03830	1.7
224.04582	0.3
224.34148	0.2
225.05864	100.0
226.06169	7.1
226.08398	0.4
235.02560	0.4
254.96216	0.2
309.07751	1.1
310.08521	0.4
311.10513	0.5
313.16791	0.4
325.07211	0.6
339.08591	0.3
340.09381	0.4
354.10132	1.0
354.20309	0.6
355.07959	0.5
355.11935	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.07960	0.3
54.96517	0.2
58.15899	0.2
59.01244	0.3
69.86929	0.6
69.87344	0.6
79.53162	0.2
79.95601	1.6
95.95131	0.3
96.95891	10.9
98.20441	0.5
122.97493	0.5
147.08105	0.3
163.11200	99.5
164.11531	6.3
177.09131	76.6
178.09460	4.6
194.05710	0.3
218.45325	0.2
222.08908	0.8
353.21173	100.0
354.21530	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
59.01242	2.2
69.03310	1.5
70.26355	2.8
72.99177	5.7
81.03307	0.8
83.04919	1.8
86.78020	0.7
87.02596	0.8
94.89807	0.8
95.04884	2.0
97.06461	19.9
99.08067	1.0
99.24851	0.8
106.30369	1.0
114.16534	0.9
125.05975	42.8
126.06344	2.2
128.75586	0.7
133.10089	1.1
143.07039	100.0
144.07350	2.6
149.09619	1.1
150.94942	1.1
151.11192	59.4
152.11537	2.9
177.09013	0.9
183.13805	1.1
195.10167	6.6
208.30595	0.8
213.11304	1.7
227.12843	44.0
228.13071	2.6
257.42032	0.9
286.91660	0.8
293.51315	0.9
310.16544	0.9
353.18378	1.2
377.61740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.8
57.03323	17.6
59.01259	2.6
59.60177	1.3
61.20071	1.2
66.20351	1.3
67.01786	2.0
71.01263	6.7
71.09856	2.2
73.02826	2.1
75.00747	1.6
78.84348	1.2
83.01258	7.7
84.02038	3.1
85.02822	100.0
86.03153	2.2
99.00758	1.6
100.44360	1.2
101.02309	6.6
111.00764	25.8
116.73994	1.3
124.92167	1.3
129.01830	41.1
147.04405	10.8
161.04485	2.2
201.74905	1.3
205.03452	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.4
57.03325	16.1
59.01245	3.1
67.01752	1.3
69.25493	9.6
71.01252	6.5
72.99187	1.7
73.02797	1.7
78.95775	1.2
80.96389	1.0
83.01263	8.1
84.02058	2.7
84.04413	1.7
85.02824	100.0
86.03194	1.2
98.19825	1.8
99.00758	2.2
101.02303	5.4
110.64004	0.9
111.00768	24.7
113.02283	0.9
129.00871	2.3
129.01831	42.0
130.02147	1.1
147.04442	10.6
161.02364	3.9
161.04446	2.3
162.02184	8.3
175.03880	1.3
177.05460	4.8
187.02390	1.1
191.05510	1.8
195.87936	0.9
205.03477	18.3
207.49921	0.9
209.02695	5.4
210.03506	2.3
223.04335	1.3
225.05853	24.2
296.34540	1.1
353.09131	1.5
353.20572	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	353.0879
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01243	4.8
67.01755	4.5
71.51512	2.8
81.27142	1.8
85.02821	9.8
87.00739	3.7
89.95524	2.1
93.03334	24.2
96.90289	1.8
99.00699	1.8
111.04393	6.8
127.03876	2.6
134.03639	4.1
135.04417	70.5
136.04738	2.7
137.02371	2.9
155.03371	7.9
161.02327	5.3
173.04472	100.0
174.04810	5.2
179.03421	61.1
180.03676	3.1
191.05534	50.1
192.05940	2.1
286.63980	1.9
353.08798	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.8
59.01258	17.3
68.99673	1.3
69.82978	5.7
71.01254	15.9
72.99181	3.2
73.02859	1.9
75.00745	14.4
85.02826	15.9
87.00739	5.7
89.02298	3.7
95.01301	2.9
96.40084	1.2
99.00745	8.3
101.05961	100.0
102.06295	2.1
103.00277	1.6
113.02335	23.4
114.02648	1.7
117.01835	3.3
129.01775	1.5
130.25400	1.3
130.41382	1.2
144.28487	1.4
177.01746	1.9
231.05046	2.2
249.06107	12.8
267.07138	1.4
291.10876	1.7
351.08536	2.9
351.12964	62.0
352.13373	5.2
363.96048	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	349.1868
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01757	3.2
58.00458	5.5
59.01250	94.0
62.50798	2.0
71.01250	80.5
71.52125	1.9
71.52562	2.7
72.99167	6.8
73.02815	13.2
75.00751	2.4
83.01256	7.6
85.02823	22.2
87.00754	9.9
89.02314	55.7
95.01266	4.9
99.00756	5.9
101.02322	55.0
113.02326	33.5
119.03389	25.6
125.02390	2.1
131.03439	2.5
141.09123	8.8
143.03445	4.4
143.10648	3.0
149.04424	2.1
161.04456	14.7
169.12245	15.8
170.53075	1.9
179.05507	2.4
187.13271	8.1
349.18677	100.0
350.19250	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01750	2.0
56.40022	0.8
57.03331	3.0
58.00463	4.7
59.01252	100.0
60.01599	1.2
69.03327	1.3
69.42650	6.1
71.01254	76.9
72.99174	6.6
73.02813	7.7
77.24923	0.9
78.28798	0.9
83.01247	7.4
85.02824	22.3
87.00747	3.6
87.04388	1.5
89.02318	76.4
95.01248	4.6
97.02853	1.3
99.00742	2.9
101.02324	54.2
102.02673	1.0
113.02329	33.6
114.02688	1.1
119.03387	29.3
119.04701	1.2
125.02383	1.2
131.03392	4.0
141.73930	1.0
143.03430	5.4
143.04384	0.9
146.05505	0.8
148.23392	0.8
149.04512	2.7
159.02927	2.1
161.04443	14.9
162.04883	1.0
179.05539	9.0
185.11522	0.9
186.47940	1.0
187.13322	11.0
199.96695	0.9
205.03549	1.0
214.43686	1.2
215.57246	0.9
326.64474	0.8
349.18674	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.1
57.03313	3.7
58.00458	5.6
59.01250	100.0
69.03335	1.3
69.43001	4.3
69.43427	5.0
71.01253	89.2
72.99181	7.5
73.02814	10.3
83.01254	7.0
85.02819	24.4
87.00753	5.0
87.04394	2.2
89.02316	74.0
95.01270	7.7
99.00755	4.4
101.02319	56.0
102.02647	1.4
102.98465	2.4
113.02330	33.2
114.51074	1.2
119.03385	32.9
119.04242	1.7
120.03684	1.5
125.02349	1.6
131.03377	4.0
143.03415	4.9
149.04439	2.2
159.02888	3.6
161.04459	21.2
177.11830	1.2
179.05548	9.5
187.13341	12.6
253.04832	1.3
349.18646	62.2
350.19058	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.54791	1.6
55.01773	2.9
57.03318	4.7
58.00464	3.3
59.01250	100.0
61.22684	2.0
62.40939	1.6
69.44006	15.6
71.01254	90.4
72.01566	2.1
72.99174	6.9
73.02814	11.3
83.01263	6.8
85.02821	30.6
87.00748	4.0
87.04372	2.6
89.02318	65.4
90.02681	3.0
95.01262	6.0
99.00770	4.8
99.04392	3.3
101.02323	54.1
102.05495	2.4
113.02331	31.6
119.03387	30.7
128.03476	3.0
131.03381	3.1
143.03409	6.1
146.04486	3.3
159.02908	3.7
161.04498	20.5
179.05508	7.1
187.13341	11.5
189.17480	1.7
349.18668	44.6
350.19104	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87567	0.6
55.01752	4.0
57.03324	20.0
59.01242	1.7
67.01765	1.6
68.99684	0.7
70.43871	2.0
71.01261	6.7
72.99176	1.9
73.02815	1.9
76.86522	0.6
79.43092	0.5
83.01254	10.7
84.02039	2.6
84.52966	0.5
85.02825	100.0
86.03159	2.2
87.00776	0.6
99.00734	0.8
101.02322	4.8
111.00764	34.6
112.01107	0.9
129.01834	47.5
130.02208	1.3
140.14687	0.8
143.10693	13.7
161.04448	2.9
182.34634	0.6
187.02422	1.8
205.03477	25.7
205.05426	1.3
206.03670	0.8
223.04550	5.9
349.14874	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
57.03323	22.1
59.01242	1.4
67.01746	1.2
68.97593	0.5
68.99683	1.5
71.01252	6.5
72.99168	1.7
73.02819	2.2
75.00755	1.1
83.01254	10.3
84.02016	2.8
85.02821	100.0
86.03149	1.9
87.00719	0.7
92.55562	0.5
99.00765	0.6
101.02320	4.6
103.03880	0.7
111.00764	34.1
112.01101	0.8
129.01831	43.4
130.02142	1.4
143.10677	14.4
144.10988	0.6
144.82156	0.5
159.02879	0.9
161.04456	2.1
163.02518	0.6
179.05681	0.4
186.86235	0.5
187.02425	1.8
194.93607	0.4
205.03473	24.7
206.03766	0.8
211.13315	0.7
223.04546	4.9
349.15054	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.96601	1.2
55.01746	2.4
57.03316	2.1
58.00451	4.3
59.01252	100.0
60.01583	1.5
60.99185	1.7
69.03312	3.0
69.17044	13.2
71.01257	70.2
72.99182	6.2
73.02809	2.1
73.19689	1.5
83.01244	4.4
85.02828	12.6
87.00739	2.4
88.13496	1.2
89.02319	63.5
95.01254	4.8
99.00749	2.2
99.08024	6.6
101.02332	48.3
113.02323	28.0
117.35934	1.5
119.03391	34.3
131.03383	3.7
131.07089	2.5
135.16470	1.4
143.03369	4.8
144.07512	1.6
149.04462	2.7
161.04475	3.8
167.10687	37.4
168.11029	2.3
171.71980	1.4
179.05481	6.3
179.85663	1.3
185.11765	2.5
189.31935	1.4
223.36935	1.3
254.08205	1.5
305.15961	1.7
313.64880	1.4
347.17099	49.1
348.17551	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03334	2.1
58.00460	2.2
59.00954	2.6
59.01250	51.9
70.65242	3.8
71.01254	33.9
72.99186	2.2
73.02811	3.1
83.01255	3.8
85.02811	9.4
87.00756	3.3
89.02321	25.6
95.01295	1.8
99.00754	2.9
101.02323	25.5
111.00789	1.4
113.02334	12.5
119.03388	13.8
119.17992	1.1
143.03374	1.6
161.04416	1.5
167.10666	10.5
179.05574	1.4
185.11760	6.4
194.97514	1.5
347.17087	100.0
348.17480	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	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03773	0.8
55.01754	3.4
56.49422	0.7
57.03324	18.6
59.01240	3.6
67.01746	1.8
68.99703	0.9
69.42932	6.4
70.70233	0.7
71.01256	5.8
72.99178	1.9
73.02807	1.8
75.00784	0.8
83.01254	11.4
84.02045	2.0
85.02822	100.0
86.03146	2.1
89.09141	0.8
99.00749	1.3
101.02324	4.9
103.03919	1.5
108.02045	1.7
110.99978	1.2
111.00763	29.0
129.01830	38.0
130.02151	2.0
133.05026	0.9
141.09117	11.2
152.01038	3.4
161.04437	2.6
174.09161	1.2
187.02335	1.4
190.12337	1.5
205.03471	19.5
209.00484	0.9
223.04547	5.7
230.11888	1.2
288.12424	10.9
297.15341	1.0
323.03094	0.9
324.62067	0.8
347.13351	1.3
347.24490	1.1
348.14551	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.6
57.03322	20.2
59.01247	2.6
61.12875	0.5
67.01769	1.3
68.19087	0.5
68.99662	1.0
69.16539	5.8
71.01259	7.8
72.99177	1.6
73.02799	2.6
73.24639	0.5
75.00746	1.1
83.01256	11.1
83.81621	0.5
84.02032	2.8
85.02823	100.0
86.03164	2.1
87.00784	0.9
88.01573	0.6
98.20609	0.7
99.00759	1.0
101.02315	4.7
103.03918	0.6
111.00763	30.8
112.01078	0.6
129.01833	38.7
130.02263	0.8
131.38945	0.5
141.09102	10.6
161.04482	2.1
187.02390	1.4
205.03468	22.8
206.03770	0.7
223.04549	4.2
225.12466	0.9
347.13715	1.9
347.25134	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	347.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43079	0.8
53.93341	0.8
56.97904	1.5
59.01252	2.1
59.71772	0.8
63.96111	2.4
65.00206	1.3
71.51886	1.3
73.66476	0.8
73.87157	0.9
74.98963	1.4
82.99474	2.1
85.02836	1.0
86.98965	1.4
87.96085	1.1
93.03334	1.2
95.01264	9.2
108.02073	4.8
110.98991	13.5
121.02858	2.0
122.98981	3.7
123.00757	2.8
123.99762	6.9
126.98505	2.1
136.01558	2.9
137.00565	1.4
138.98479	2.3
139.11183	1.2
139.99228	2.4
150.98473	2.5
154.97972	5.1
167.98790	35.0
168.99156	1.3
195.01021	1.1
201.11301	1.8
207.04984	1.9
215.05261	2.1
215.12808	1.1
224.22972	0.9
227.07100	17.0
228.07494	1.4
241.03235	1.0
259.04327	100.0
260.04697	6.5
291.18997	0.9
345.58432	1.1
347.18243	1.0
347.24313	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.5
57.94603	0.9
59.01250	36.0
65.34068	0.9
65.41041	0.9
69.03333	1.0
71.01254	6.8
71.52707	1.2
73.02811	1.3
81.03336	2.9
83.04890	8.6
85.02817	4.1
89.02344	2.0
95.15189	0.9
99.00765	1.3
99.08018	1.2
101.02308	5.0
101.05965	2.0
109.06566	0.9
111.08066	1.5
113.02325	2.8
113.09615	2.5
123.37128	1.1
125.02312	1.1
127.11139	1.4
129.01668	1.0
141.09099	1.4
143.10666	6.6
145.04955	2.5
146.60909	1.0
155.10661	2.4
157.12260	13.7
161.04417	1.8
181.01263	1.2
204.75189	0.9
217.10727	2.2
237.18495	4.7
239.20102	1.6
255.19626	2.2
255.45802	1.0
257.21201	9.5
258.21640	1.3
266.45761	1.1
285.20694	20.2
286.21024	1.8
301.05707	1.0
303.21747	100.0
304.22159	7.6
327.03140	1.0
345.05124	1.5
345.15292	3.7
345.22842	21.3
346.23053	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74858	0.6
56.00215	0.7
57.03210	2.1
59.01132	22.6
59.01468	8.1
61.79766	0.6
63.73880	0.6
68.31330	0.6
71.04761	2.6
71.52458	0.7
71.52821	0.7
80.96279	0.9
83.01143	1.0
83.04804	0.7
85.06327	2.0
93.13458	0.8
95.01141	0.6
97.06333	0.8
99.07926	1.7
107.01205	0.7
115.07398	2.4
115.08102	0.7
123.04283	1.0
125.02227	0.8
126.45599	0.7
127.11050	1.2
137.09531	1.0
139.11078	1.0
153.01711	0.7
153.12622	1.3
155.10587	1.6
157.12279	8.7
158.12518	1.0
169.12154	2.0
195.17511	3.4
237.18605	4.1
239.20042	2.6
241.21693	0.8
255.19637	2.4
257.21185	7.9
285.20746	19.4
286.20956	1.5
303.21762	100.0
304.22079	8.4
345.22858	22.7
346.23288	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82522	0.6
55.01768	5.6
57.03323	4.3
58.00468	3.0
59.01250	66.0
60.01582	1.0
63.80101	0.6
66.39757	0.6
66.69978	0.6
68.23302	0.6
68.92956	0.7
69.03327	0.7
71.01253	100.0
72.01587	1.7
72.99171	3.5
73.02815	23.9
75.00749	1.0
83.01257	9.9
85.02823	36.8
85.99961	1.3
86.03131	0.8
87.00740	4.7
87.04398	2.4
89.02316	37.2
90.02679	0.7
95.01267	8.4
97.02832	2.0
99.00778	10.5
101.02322	63.7
102.02654	1.1
113.02326	40.6
119.03387	16.0
125.02356	2.1
129.01854	1.5
131.03400	1.9
143.03395	3.9
159.02916	5.9
159.06531	5.3
161.04460	32.6
165.12733	0.7
179.05531	2.6
205.03513	0.8
249.09857	1.3
279.41656	0.8
345.19144	7.1
345.22769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.32103	1.2
55.01755	4.4
57.03312	4.7
58.00456	3.9
59.01254	81.3
69.30073	5.6
69.30502	4.7
71.01255	75.8
72.01600	1.8
72.99191	6.0
73.02824	13.0
74.78032	1.3
75.00768	1.6
83.01263	11.0
85.02349	2.0
85.02827	27.9
87.00749	2.8
89.02319	39.5
95.01260	6.2
97.02849	1.1
99.00748	6.0
101.02325	59.6
102.02631	1.4
113.02328	24.9
119.03386	22.7
121.10127	7.8
131.00418	1.3
143.03357	2.1
159.02905	2.6
161.04436	6.1
165.09158	2.4
176.14189	1.2
259.05362	1.1
301.16492	2.2
327.28207	1.2
344.52115	1.2
345.15530	100.0
346.15997	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52211	0.3
57.03317	0.3
59.01241	1.3
61.08366	0.3
69.03313	1.2
70.05758	1.0
78.41020	0.3
79.01747	0.4
80.38731	0.3
83.04888	1.4
89.02299	0.4
93.03342	0.3
97.06464	0.7
99.08031	8.8
107.01283	0.8
110.33366	0.3
111.08054	0.3
112.98667	0.4
121.10116	2.2
123.08049	0.3
125.09594	1.8
127.11174	0.4
137.09576	1.1
139.11154	0.6
149.09583	0.4
149.13258	0.7
151.11237	0.3
153.09215	0.3
158.66501	0.3
165.12767	0.7
171.10176	13.1
172.10495	0.4
175.11137	0.8
185.11771	0.4
188.53487	0.3
191.88043	0.3
193.12268	13.7
194.12599	0.7
197.15369	0.8
211.13315	3.4
225.14906	21.0
226.15231	1.3
243.15979	7.4
244.16451	0.5
262.99994	0.3
293.21234	1.6
307.22812	0.6
311.22363	0.5
315.03745	0.3
325.23792	0.8
343.24872	100.0
344.25217	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.51310	0.5
59.01245	1.1
69.03323	2.2
71.09643	1.1
83.04882	1.0
91.42526	0.5
97.06436	1.0
99.08038	7.9
101.63771	0.5
102.10792	0.5
121.10123	3.9
125.09626	1.8
127.11172	0.6
129.09070	0.5
137.09619	1.8
139.11215	1.1
149.13213	0.9
163.11255	0.6
165.12793	0.8
171.10185	25.2
172.10590	1.1
175.11304	0.6
193.12276	15.3
194.12608	0.7
202.48560	0.6
211.13264	2.9
225.14908	20.8
226.15274	1.8
235.53270	0.5
243.11536	0.7
243.15965	8.1
246.71080	0.5
293.21271	3.1
311.22357	1.2
325.23907	0.8
343.24872	100.0
344.25177	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35942	0.4
57.03326	0.5
59.01235	1.8
69.03321	1.8
75.69889	0.4
78.88245	0.4
83.04897	1.8
93.24222	0.4
95.04947	0.4
97.02804	0.5
97.06456	1.2
99.08033	11.5
100.08302	0.4
107.01303	0.9
111.08054	0.6
112.98702	0.7
121.02826	0.7
125.09602	1.6
127.11158	0.4
137.09622	0.8
149.02428	0.5
149.13242	0.7
151.11209	1.2
153.09106	0.5
165.12701	0.9
171.10172	7.1
175.11179	1.1
185.11835	0.7
191.10718	0.6
193.12273	18.3
194.12579	1.6
195.13895	0.5
201.34689	0.4
211.13341	4.4
225.14919	23.0
226.15247	1.4
227.05574	0.5
243.15973	8.0
255.02820	0.4
293.21265	2.8
311.22256	1.8
313.23889	0.4
316.03094	0.4
325.23856	2.3
343.24881	100.0
344.25226	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40470	0.6
57.03332	2.4
59.01252	31.2
69.03344	0.7
69.33498	4.1
69.33912	0.8
71.01274	1.2
71.04890	5.1
73.19571	0.5
79.01799	1.0
83.04899	1.3
85.02835	1.2
85.06483	2.3
89.02379	0.7
94.03724	0.6
95.04917	0.6
97.06485	0.9
99.08018	5.6
107.01287	2.6
111.08040	0.9
112.08482	0.7
112.98682	0.8
115.07530	7.0
121.02879	1.6
121.71950	0.6
123.08030	1.1
125.02336	0.9
125.09620	3.3
129.09114	13.7
139.11224	1.0
143.10655	0.7
149.02332	0.9
155.10652	0.8
157.12245	1.0
163.14890	0.6
171.10207	1.7
178.66385	0.6
178.99818	0.7
187.11671	0.5
206.07683	0.5
211.13390	0.8
211.65862	0.6
227.05577	1.3
237.18538	1.0
255.19633	0.7
283.19144	20.6
283.22314	1.0
284.19504	1.4
301.20193	100.0
302.20547	7.4
315.03601	0.8
324.36230	0.7
343.02988	0.8
343.07892	0.9
343.21225	22.6
344.21527	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.21643	1.2
59.01249	21.3
68.24377	1.0
70.00853	4.7
71.01245	1.7
98.19873	1.7
109.02837	10.8
109.06475	7.3
119.04877	6.0
120.05284	1.1
121.02844	11.7
122.03654	2.1
135.04396	7.5
137.05989	48.7
138.06313	1.8
181.04987	100.0
182.05367	4.6
343.10443	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	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62550	0.4
57.03323	2.6
58.16869	0.3
58.70017	0.4
59.01252	28.1
59.92047	0.4
61.98688	0.4
68.64223	0.4
69.03316	1.0
69.25581	0.7
69.25981	2.8
71.01244	1.8
71.04878	1.6
72.99165	0.8
73.02859	0.5
79.01763	0.9
83.04883	0.8
85.02821	1.3
85.06451	1.5
89.02283	1.2
93.03354	0.4
97.06463	2.0
99.08034	0.5
101.02342	0.5
107.01282	1.5
111.00808	0.4
111.08025	1.7
112.98673	0.5
113.09594	1.0
115.07549	4.3
119.03402	0.6
121.02800	0.9
123.08126	0.5
125.02315	0.5
125.09622	0.6
125.69975	0.4
127.11147	0.9
129.09105	1.5
139.07510	0.4
139.11140	0.6
141.09140	0.4
143.10690	2.9
149.02371	0.9
155.10666	0.5
157.12239	4.6
163.14865	0.7
166.79770	0.4
171.10178	1.0
177.16406	1.5
181.15834	0.6
227.05550	1.1
237.18571	1.4
255.19705	0.5
283.19147	22.9
284.19452	1.7
301.20203	100.0
302.20523	7.6
315.03830	0.4
343.21344	20.1
344.21426	1.2
360.16364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	90.6
68.92237	2.2
69.75957	11.9
73.67601	1.9
85.62105	2.1
95.00717	2.2
154.08922	2.1
157.03436	6.3
159.01398	5.9
201.02493	100.0
202.02736	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	342.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43554	0.7
59.01260	5.0
59.88079	0.6
63.48964	0.7
71.01260	3.3
71.09107	1.3
72.01558	0.9
73.46835	0.7
83.01285	0.9
85.02864	0.9
87.29308	0.8
89.02348	3.4
101.00582	0.9
101.02337	1.6
113.02364	1.0
114.09175	0.8
119.03413	0.8
120.01144	100.0
121.01517	1.0
121.02837	0.7
130.08662	1.4
131.03308	0.7
251.48848	0.8
342.11267	1.7
342.24057	1.1
343.04373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.9
58.00465	6.4
59.01252	100.0
65.00201	1.7
67.48773	1.5
69.03330	1.8
71.01255	81.3
72.01582	2.9
72.99187	6.0
73.02827	8.9
79.78608	1.8
81.03314	1.6
83.01270	4.0
83.04900	2.6
84.35102	1.6
85.02829	12.2
87.00746	3.3
89.02319	79.7
93.03345	1.4
95.01262	4.7
97.02848	2.1
97.06471	8.7
98.03642	5.7
99.08028	3.6
101.02315	34.1
105.06969	2.1
109.06411	1.5
110.78977	1.5
113.02326	26.3
113.09586	2.8
115.07535	4.4
119.03394	28.8
121.02849	41.1
122.03153	2.2
123.08047	3.3
125.02332	5.5
125.09611	91.2
126.09945	3.7
127.07552	16.9
129.09111	89.0
130.09445	4.0
131.03433	3.7
137.09625	3.2
141.09116	59.1
142.09486	2.3
143.03401	7.1
145.10127	3.1
149.02348	3.1
149.04449	2.5
149.05977	3.7
155.10698	6.2
161.04475	6.0
165.01915	2.1
167.10692	12.1
171.10205	2.0
173.08107	5.4
179.05542	29.2
180.05873	1.7
187.14813	1.9
191.10721	4.3
193.01306	8.4
193.12219	3.5
199.13319	13.0
201.74100	1.5
221.01038	2.7
222.14632	1.5
247.20781	3.0
252.13643	8.7
279.21118	3.6
280.21631	1.7
291.19678	5.9
297.22232	5.8
313.05643	3.2
323.22504	7.3
341.05475	8.0
341.10751	33.9
341.20834	20.2
341.67862	1.8
342.11069	3.7
342.21448	2.9
354.11139	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01244	6.5
61.11632	0.4
69.03329	2.8
69.26860	4.5
71.01257	4.3
72.56328	0.4
83.04884	1.5
84.02037	2.0
85.02835	0.8
87.00745	0.5
89.02312	4.5
95.04897	1.1
97.02840	1.1
97.06468	14.6
97.87968	0.5
101.02345	1.5
111.08009	0.6
113.02322	1.5
119.03400	1.4
125.02407	0.5
125.09641	1.2
126.79774	0.5
137.09584	1.6
143.03374	0.7
149.13248	0.8
151.11208	0.8
165.12741	1.4
171.10161	7.4
175.11307	1.2
179.05522	2.0
185.11777	0.5
193.01324	0.7
193.12276	19.4
194.12569	1.4
197.15518	0.8
199.73935	0.5
203.10818	0.5
209.79016	0.5
211.13326	4.4
221.11801	1.3
221.97008	0.5
225.14906	27.4
226.15320	1.9
238.12167	0.5
243.16011	9.4
244.16286	0.8
253.14485	1.5
291.19708	1.2
305.21216	0.8
341.10999	2.0
341.23315	100.0
342.23706	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59497	0.5
59.01247	3.5
59.46197	0.5
69.03323	2.2
71.01266	2.5
71.29968	0.6
83.04889	1.5
84.02037	4.3
85.02850	0.5
89.02309	2.1
97.02815	1.2
97.06462	9.9
99.04412	0.9
101.02316	1.2
113.02332	1.2
119.03370	0.8
119.08562	0.6
121.10095	0.5
125.09621	1.7
135.08026	0.5
137.09615	1.5
143.03351	0.5
147.17761	0.5
149.13255	0.5
165.12764	0.7
171.10173	13.1
172.10526	0.8
175.11295	0.7
177.12715	0.5
179.05582	0.9
183.13844	0.8
185.11801	0.5
193.12265	13.7
194.12590	1.2
197.15521	0.5
203.10753	0.6
211.13327	3.1
221.11682	0.8
225.14905	22.8
226.15268	1.5
238.11935	0.6
243.15996	8.9
244.16370	0.6
246.09277	0.5
253.14322	0.8
272.16241	0.8
281.13419	0.5
291.19608	1.5
302.51923	0.6
323.22302	0.7
341.23297	100.0
342.23627	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	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
58.00468	2.5
59.01250	78.8
61.86091	1.4
68.52103	1.4
69.35724	12.6
71.01257	64.7
73.02847	1.4
79.53260	1.8
83.01277	2.2
85.02817	5.3
87.00737	4.8
89.02318	100.0
90.02646	2.4
95.01267	4.2
101.02322	34.3
101.02998	2.0
113.02331	32.8
119.03387	38.9
131.03409	5.3
143.03398	9.4
149.04478	3.6
153.22108	1.6
161.04482	15.3
179.05540	39.1
192.59372	1.4
230.71736	1.5
341.10873	42.4
342.11191	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	341.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	0.6
59.01250	12.3
69.25072	3.8
69.25479	1.0
71.01254	7.5
74.98969	13.0
85.02812	1.0
87.00745	0.8
89.02316	12.5
101.02337	4.1
109.02845	1.3
113.02344	3.0
114.60011	0.5
118.97979	100.0
119.03371	4.3
119.98301	1.9
131.03458	0.8
135.04411	1.4
135.98082	0.5
137.02364	1.0
143.03398	1.0
149.04469	0.6
161.04471	1.1
164.04678	2.6
165.53679	0.5
171.01149	1.7
179.05516	5.0
179.07082	3.0
213.05515	0.6
219.08441	2.2
237.09583	1.2
245.88264	0.6
279.10648	1.9
311.60007	0.5
317.65356	0.5
341.10815	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39007	2.1
53.52129	2.1
55.01749	4.5
57.03316	18.6
58.00466	3.2
59.01255	76.0
59.65428	2.0
71.01254	69.5
71.51820	3.3
72.01638	2.2
72.99168	5.4
73.02821	3.9
75.00748	3.7
83.01256	14.5
84.02020	2.5
85.02824	100.0
87.00733	4.8
88.27341	1.9
88.78744	2.3
89.02315	62.2
89.24449	2.2
91.67410	2.1
95.01238	3.8
99.00765	3.6
101.02317	32.7
102.27249	1.9
109.99210	2.4
111.00761	32.1
113.02322	23.5
116.96088	2.3
116.96904	2.1
119.03391	23.1
121.02876	3.0
125.02392	3.5
129.01846	34.3
131.03413	2.9
135.04430	3.3
142.18051	2.2
143.03371	6.1
144.14937	2.3
147.02916	2.2
149.04431	3.7
161.04454	9.6
161.09587	3.2
165.01884	2.3
172.56798	2.2
179.03387	3.4
179.05507	25.0
179.10715	4.9
187.02545	2.5
193.01352	4.1
205.03467	35.8
220.01073	2.2
223.04541	80.3
224.04881	4.0
251.12157	3.0
341.06757	4.1
341.10828	30.1
341.15125	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01740	6.0
57.01700	3.9
57.03314	17.1
59.01249	100.0
70.04459	6.8
70.04855	13.4
71.01254	87.0
72.99166	8.5
74.98969	5.5
75.00739	4.9
82.85033	4.0
83.01251	9.6
85.02349	7.2
85.02822	92.0
86.03154	4.4
87.00732	8.3
89.02316	91.7
101.02318	41.1
111.00772	33.4
113.02321	32.7
118.97923	5.2
119.03372	40.3
121.02767	4.9
129.01822	27.2
131.03346	6.4
135.04436	44.5
143.03386	6.4
149.04472	4.2
153.04088	4.2
161.02283	5.6
161.04456	11.4
161.05930	7.1
179.03477	38.3
179.05531	48.8
179.06989	7.9
205.03423	23.8
223.04543	59.6
286.63034	4.2
298.01147	12.1
300.01874	4.1
308.54507	4.0
313.03317	4.7
341.02533	7.3
341.10956	54.0
347.48083	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
60.29824	0.4
70.27055	1.0
70.27421	0.9
93.59686	0.4
101.52737	0.4
113.33470	0.4
120.96893	0.4
163.11198	100.0
164.11536	4.6
192.72098	0.5
339.23279	56.1
340.23663	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	339.2539
Annotation	Borjatriol
Peak:m/z	Relative Intensity
59.01245	6.9
71.01270	1.2
84.02058	1.1
99.08049	3.8
100.38358	1.0
101.02341	1.2
102.09425	1.1
113.09625	3.8
116.11973	1.2
129.09105	10.2
151.00256	1.7
163.11177	4.4
179.14345	1.1
181.16064	1.0
183.01178	1.4
197.15450	3.0
200.70448	1.1
209.15416	7.5
211.16975	1.5
219.02945	2.0
221.15466	3.7
222.85150	1.0
225.14902	19.4
226.15259	1.5
227.16515	6.2
229.93819	1.2
231.15921	1.1
239.16505	26.3
239.21014	1.0
240.16682	1.8
321.24347	15.8
322.24612	1.3
339.25412	100.0
340.25775	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	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.5
58.00468	3.4
59.01242	6.3
71.01252	29.3
71.04887	2.7
71.41460	2.2
72.02037	16.9
73.02819	2.2
81.06947	1.4
82.34304	1.3
84.02042	4.4
85.02824	6.1
87.92078	1.2
95.04909	3.4
97.06472	11.3
98.03600	4.0
99.08023	17.5
99.08573	1.9
109.06494	9.0
111.08070	7.8
116.39214	1.7
121.06466	3.0
123.08063	3.4
124.05170	3.1
125.05987	4.7
125.09618	100.0
126.09965	3.8
127.07546	93.3
128.07939	3.5
137.09572	1.9
139.07552	75.5
140.07892	2.5
147.04449	1.4
153.09116	4.6
155.10696	2.5
167.10742	10.0
171.06538	1.7
183.01163	1.6
191.10728	2.4
199.13358	15.3
219.02931	2.5
237.14876	1.2
252.13681	43.4
253.13925	3.4
268.13220	15.1
269.13852	1.6
289.18005	4.2
321.20743	6.3
322.71683	1.4
336.92935	1.5
339.16388	3.1
339.21716	11.8
356.21774	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	339.2174
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
52.41270	1.0
53.56580	0.8
57.03309	3.4
57.44804	1.0
59.01252	8.3
69.03313	1.6
69.24742	5.9
69.25166	4.0
71.01257	3.3
71.04897	1.4
81.03333	3.2
83.04910	1.9
85.02821	1.5
95.01260	1.1
95.04900	3.4
97.02812	4.5
97.06448	2.7
98.19820	1.6
106.04140	1.3
109.02766	1.8
109.06499	1.5
113.05962	1.0
116.91991	1.0
121.06440	1.5
123.04432	5.4
123.08054	3.1
125.09645	8.9
127.07448	1.4
135.08060	2.0
137.06007	1.4
137.09586	5.8
139.07530	2.3
141.12746	2.4
149.05989	1.7
155.10704	2.2
161.09641	1.2
162.10466	1.4
163.07539	1.7
163.11180	10.4
164.08266	1.7
165.09120	1.2
165.12833	1.6
171.10185	1.1
177.12851	2.1
179.10687	2.0
181.12317	3.0
184.83759	1.0
185.11746	10.3
191.10670	1.9
191.14339	12.7
207.10188	9.8
225.11270	5.3
226.12151	1.2
227.18073	1.2
245.19077	32.0
246.19359	1.4
271.16943	2.3
289.18091	100.0
290.18417	9.0
307.19147	36.8
307.22321	0.7
308.19421	3.0
315.27145	1.0
321.20557	6.7
324.19373	6.8
324.22806	1.4
339.21744	73.7
340.22250	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	339.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.0
69.87503	1.5
69.87846	2.2
78.62809	0.7
87.40352	0.7
95.00461	0.7
111.07983	1.2
111.93474	0.8
125.09583	1.6
141.03802	0.8
163.11182	4.6
165.12781	5.3
181.12221	1.2
183.01151	1.6
212.21625	0.8
217.16005	1.1
247.20630	1.7
265.08981	0.8
270.12885	1.0
273.18689	2.1
279.10626	1.0
291.19659	100.0
292.20026	8.9
293.21210	12.8
294.21594	1.2
305.21347	1.1
324.17593	2.3
339.19855	15.1
340.20383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58945	6.8
57.03303	7.4
59.01254	57.7
61.54869	6.0
69.03316	8.4
69.78037	37.8
71.01248	28.5
72.02029	13.7
73.02800	16.3
83.04903	10.9
91.58206	6.3
95.04909	100.0
97.06470	15.7
98.20546	8.4
99.08057	8.0
107.04923	6.5
107.18487	6.4
109.06440	14.2
113.02337	10.5
113.05940	11.4
116.81992	7.0
118.38760	6.1
125.05913	8.6
125.09570	8.4
127.07543	77.5
130.96451	6.8
135.08000	7.2
137.09648	8.9
139.07530	11.8
143.46245	6.5
146.37080	6.3
151.00258	10.3
151.11179	13.1
153.12766	31.3
153.13881	6.1
157.80211	7.0
159.18723	6.2
163.11191	18.6
177.01767	10.8
179.10680	9.1
181.12207	19.5
183.01064	12.2
183.13832	97.0
191.89626	6.0
197.11813	9.1
205.12172	6.9
209.11699	18.7
210.12494	7.9
211.13354	87.2
212.13654	10.0
219.02962	12.6
229.14403	9.3
239.12807	18.6
241.14485	9.9
243.15991	46.3
245.19128	14.2
270.14743	74.5
279.19656	19.9
289.18106	45.8
311.22223	12.2
321.20691	94.7
322.21030	13.8
339.17358	8.0
339.21768	90.9
339.32803	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.7
65.00189	1.0
70.85104	2.2
71.01247	1.4
72.99172	3.5
85.02821	0.9
97.06461	5.5
102.21720	0.9
106.22195	0.8
125.05975	19.3
126.06308	0.9
143.07042	69.8
144.07362	1.8
151.11172	12.7
152.11404	1.1
163.11272	1.0
169.12256	100.0
170.12605	4.8
183.01192	2.2
186.87021	1.0
195.10251	1.4
213.11264	89.7
214.11604	5.8
219.02893	1.0
245.19102	1.5
264.31564	0.9
286.23172	0.9
301.88550	0.8
307.19073	1.2
321.20575	1.2
339.18192	7.7
360.18530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.36841	0.7
52.45138	0.6
55.22242	0.7
59.01254	11.4
69.21358	8.0
71.01235	1.4
75.52933	0.7
85.02794	0.9
101.02395	0.9
114.09118	3.7
117.03399	1.2
121.50936	0.7
145.02847	3.2
147.79001	0.8
157.02831	1.0
163.03941	1.9
177.01993	0.8
178.99773	0.8
179.07079	1.0
179.08582	0.9
191.03445	1.4
191.08597	1.0
193.06612	1.0
207.08041	2.2
217.06458	1.1
218.07346	1.0
219.02893	2.0
219.08130	2.2
220.05284	1.2
221.06036	3.7
223.07585	0.8
224.04739	0.8
225.05487	1.7
225.09035	0.9
233.06024	2.3
234.06778	1.4
235.07574	7.2
236.08192	1.6
237.05524	0.9
237.09224	2.3
238.06195	1.0
239.07072	1.8
242.22363	1.0
245.06113	2.9
246.06837	1.8
247.07674	2.8
251.07071	2.1
252.07677	1.6
253.08705	6.2
257.06042	0.7
261.05606	1.4
261.47910	0.7
262.06375	2.1
263.07129	18.7
264.07623	2.5
265.08652	1.3
268.11099	2.3
274.06430	1.5
275.07111	1.9
279.06583	0.8
279.10446	0.9
280.07260	1.6
281.08203	30.8
282.08527	3.2
291.06714	7.6
292.07394	2.6
293.08148	8.0
294.08823	4.5
295.09714	2.2
296.07626	0.8
296.10455	4.7
297.11267	0.8
297.17093	2.9
307.09744	4.3
308.07068	1.6
308.10397	7.0
309.07690	100.0
310.08035	10.4
323.09268	28.3
324.09991	61.6
325.10336	6.7
339.08887	2.0
339.12375	54.2
340.12753	6.0
340.29752	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
56.22006	0.3
59.01244	2.6
61.90358	0.3
63.57784	0.3
65.00204	0.7
65.03840	1.6
67.01757	1.0
68.99702	0.3
71.01253	0.9
73.02814	0.4
80.02554	0.5
80.03581	0.3
85.02841	0.4
91.01769	58.7
92.02096	1.6
101.02332	0.4
107.01257	0.3
108.02050	1.4
109.02835	15.7
109.40365	0.3
114.09136	3.2
121.02850	1.2
123.04427	0.9
127.21967	0.3
133.02834	1.5
135.00777	100.0
136.01050	3.8
137.02356	2.9
149.02371	1.7
149.03426	0.3
151.00153	0.3
151.79250	0.3
153.01836	66.0
154.02206	2.2
161.02307	1.9
171.14941	0.5
175.03915	0.5
177.01836	1.3
189.01869	1.3
242.22333	0.5
275.63647	0.3
279.05130	1.0
297.06070	0.6
339.07181	26.2
340.07410	2.2
340.29678	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	337.2384
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
59.01244	3.1
59.06350	0.5
66.06990	0.4
68.45920	0.5
69.03326	0.4
71.01278	0.8
75.00775	0.4
84.99169	0.7
85.06473	1.2
97.06474	0.5
111.00748	1.0
111.04430	0.5
125.09653	0.5
127.11182	0.6
131.93082	0.4
135.67937	0.4
153.09108	0.7
153.36011	0.5
154.99754	0.4
156.97688	1.7
165.12755	1.2
171.10179	15.7
172.10417	0.5
187.51518	0.5
197.74957	0.5
233.15477	0.5
251.16490	9.7
252.16853	0.8
265.23892	0.5
319.22766	7.8
320.23044	0.6
335.22134	0.8
337.23843	100.0
338.24219	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	337.2021
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03324	5.2
59.01249	16.7
67.93498	2.8
69.03320	8.7
71.01255	6.9
71.04893	7.8
71.09467	2.2
71.51956	2.8
79.05402	4.2
81.03323	6.8
83.01268	5.5
83.04903	10.9
84.02040	3.8
85.02802	4.0
93.03407	2.3
93.58578	2.5
95.01266	6.9
95.04905	11.2
97.02824	13.3
97.06455	11.6
101.07748	2.6
107.04909	100.0
107.05632	5.0
108.02121	2.6
108.05249	4.3
109.02813	2.6
109.06452	5.9
110.03631	8.3
111.00784	19.1
111.04398	6.8
111.08047	3.7
113.05948	4.0
121.02849	2.8
123.04396	13.4
123.08044	9.7
125.02342	5.9
125.05968	31.0
125.09609	45.1
129.26050	2.3
133.06476	22.5
135.08035	13.7
137.05974	6.0
139.03891	3.4
147.04436	7.9
149.05989	4.7
151.07530	21.3
151.11223	2.8
153.07991	4.5
153.09126	49.5
153.67213	2.1
161.09677	3.1
162.29094	2.4
163.11205	12.5
173.00838	3.1
173.09650	3.3
176.08394	6.9
177.50644	2.6
189.09155	3.3
189.12767	2.7
191.10713	31.7
199.13336	4.0
207.10173	6.0
209.11818	7.0
209.27090	2.4
217.12241	16.9
221.11775	4.2
221.15298	3.9
223.05646	2.3
223.13374	3.1
239.12868	6.6
243.17514	7.7
246.80972	2.4
247.13405	5.5
249.14885	3.0
251.01874	3.0
261.18515	6.1
264.43719	2.8
267.12338	12.4
269.15463	3.4
275.12851	3.1
287.16592	14.7
291.19833	2.7
293.21252	6.4
305.17816	3.1
319.19107	93.3
319.22800	25.9
320.19510	12.2
320.22855	3.5
337.13351	5.0
337.20126	34.6
337.23874	20.3
338.20395	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	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.6
59.01251	16.9
63.18185	2.2
67.01762	4.1
68.34546	2.0
69.03326	4.7
71.01242	8.2
71.52172	2.9
73.02832	2.3
80.02542	4.2
81.03333	13.1
83.01264	18.3
83.04900	7.6
84.02048	25.1
85.02831	6.8
95.04907	11.1
95.68859	1.9
96.15278	2.4
97.02808	6.5
97.06467	41.0
107.04915	28.2
108.02088	4.9
109.06466	4.9
110.03616	3.2
111.00758	22.9
111.04385	4.1
113.02363	2.9
113.05977	5.6
115.03944	2.2
121.02869	3.9
121.03801	1.8
123.04420	7.3
123.08063	15.6
125.02299	3.3
125.05962	10.7
125.09624	35.8
127.07525	8.0
131.34880	2.1
135.08055	35.4
136.05103	2.1
139.03976	3.3
139.07536	4.7
147.04501	2.6
149.09616	2.3
153.09122	42.5
161.05891	2.0
163.11212	12.3
165.09125	9.2
173.00894	2.6
176.08313	4.1
177.09152	2.8
179.10721	3.3
181.12288	2.6
189.09184	2.6
191.10707	29.4
192.11064	2.2
207.10213	32.9
209.11765	28.4
217.12303	4.4
223.13368	27.4
239.12875	25.3
241.14380	23.0
243.17415	3.7
250.12050	5.0
252.17940	2.2
267.12180	5.3
268.13177	100.0
269.13693	17.6
278.07977	2.2
287.16544	4.3
305.17581	2.8
309.20599	3.5
319.19183	40.6
320.19458	5.0
337.20233	58.7
338.10437	4.2
338.20538	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.7
57.03301	2.5
58.00475	2.5
59.01251	27.6
60.07793	1.5
68.90382	1.4
71.01254	100.0
72.01594	1.9
72.99166	3.6
73.02822	17.5
75.00734	3.5
83.01247	8.3
85.02824	32.1
85.99953	2.8
87.00742	15.1
89.02333	10.9
95.01272	4.9
98.19825	2.9
99.00768	6.8
99.04378	5.3
101.02320	38.3
105.58785	1.4
111.00766	2.4
113.01614	2.4
113.02336	24.8
115.03880	2.5
115.07534	2.7
117.05470	2.1
119.03359	4.4
124.31461	1.2
125.02309	2.8
129.01910	1.7
143.03409	2.6
143.07059	7.3
148.03888	1.4
153.64279	1.6
159.02910	7.6
161.04469	32.3
161.08092	38.2
169.17407	1.4
175.02649	22.6
175.04012	2.4
176.03448	39.6
187.09680	14.3
191.05540	17.9
191.13184	1.4
215.09274	1.7
229.14514	2.1
244.39195	1.5
277.12973	17.3
305.12369	4.7
338.08835	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	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01753	1.4
57.03326	6.9
59.01250	5.7
67.01746	0.7
68.99694	3.4
69.03365	0.8
70.98671	0.3
71.01255	10.6
71.50643	0.5
72.99188	1.6
73.02816	2.3
75.00749	1.6
78.95776	4.9
80.16563	0.4
83.01259	5.3
84.02026	0.4
85.02824	40.5
85.06477	1.4
86.03191	0.6
87.00744	4.5
89.02319	2.0
93.03339	0.6
95.01254	1.4
97.02853	0.9
99.00756	5.3
101.02326	5.5
110.98437	3.2
111.00759	10.9
111.01894	5.3
112.98703	0.7
113.02332	7.0
113.05949	0.7
113.99476	16.2
115.00265	11.8
115.62584	0.4
119.03396	0.6
125.02354	0.7
127.00258	4.2
129.01839	16.5
131.03397	0.6
131.07028	3.3
133.01314	0.8
137.02347	1.0
137.41757	0.4
137.49323	0.5
138.01825	0.6
139.00266	1.0
141.01807	0.8
143.03372	0.5
152.99500	0.8
157.01341	5.3
157.04951	0.5
159.02878	0.4
161.04541	1.8
169.01328	1.4
174.01622	17.7
175.02399	12.2
179.05412	0.4
187.02438	0.6
205.03499	7.8
223.04515	2.6
277.05643	18.2
278.05914	0.7
337.07776	100.0
338.04324	0.4
338.08167	5.9
344.80515	0.4
348.71832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48147	0.6
55.01756	1.5
57.03325	1.2
58.00459	0.6
59.00992	0.8
59.01255	9.9
65.12521	0.5
69.93100	0.6
71.01251	11.3
71.52057	0.8
72.99170	1.3
73.02821	3.4
83.01247	3.3
85.02823	8.6
85.61890	0.5
85.99983	0.7
87.00744	1.6
88.88194	0.5
89.02319	1.1
95.00517	0.5
95.01236	1.0
99.00719	1.1
101.02333	6.5
111.00736	2.6
111.54266	0.5
112.01539	0.7
113.02329	2.1
127.11189	2.5
129.01825	1.7
133.55109	0.5
133.78104	0.5
155.10648	1.2
173.11751	37.0
174.12157	1.2
182.11899	0.6
187.13264	0.9
302.26785	0.5
317.16000	3.9
335.17099	100.0
336.17444	9.9
344.20227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	21.2
61.64134	7.1
61.98702	100.0
67.06452	7.6
67.10535	8.5
71.01249	9.0
71.52345	9.0
75.72321	7.7
85.88615	8.5
107.95573	7.6
124.66888	7.6
198.56062	8.4
205.99654	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
55.75138	1.1
57.03323	16.4
59.01262	4.7
61.98707	1.2
67.01768	0.9
68.99664	1.6
71.01249	7.0
72.99169	2.2
73.02822	2.4
75.00747	1.2
83.01260	10.9
83.87552	1.1
84.02052	3.4
85.02824	100.0
86.03157	1.9
101.02332	4.9
111.00759	30.2
129.01834	42.2
129.09096	15.3
130.02184	0.9
135.04393	2.1
161.04517	2.5
187.02325	2.2
205.03474	20.8
205.05370	1.1
206.03806	1.3
223.04584	5.8
283.02454	2.8
335.13785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13617	0.8
53.90426	0.7
55.01758	3.0
57.03323	17.0
59.01249	2.5
60.83791	0.8
68.99684	0.8
71.01256	7.1
71.51582	1.0
72.99182	2.3
73.02815	2.2
75.00765	1.1
83.01258	12.7
84.02039	2.3
85.02822	100.0
86.03158	1.8
87.00729	1.2
88.12151	0.8
99.00743	1.7
101.02332	5.0
111.00764	34.6
121.98173	1.0
124.87918	0.7
129.01834	46.5
129.09108	15.1
130.02168	1.1
135.04413	2.2
152.01102	1.0
159.02896	0.9
161.04445	2.2
179.03339	1.2
187.02380	2.7
205.03470	24.9
223.04530	7.1
256.93390	1.0
302.25830	0.8
335.13477	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	335.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78410	4.3
57.03326	20.1
59.01245	11.4
61.70176	4.4
61.98690	10.6
63.91817	4.2
71.01265	12.5
83.01248	17.4
85.02824	100.0
101.02334	9.1
111.00765	31.7
115.07545	4.5
118.96729	4.5
129.01837	25.8
129.05511	5.5
135.04437	15.9
161.02434	4.3
179.03392	12.2
191.01997	6.2
205.03529	24.3
223.04486	6.3
299.69791	4.4
335.17081	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24986	0.5
55.01754	3.7
55.96252	0.5
57.03323	14.7
58.20615	0.5
59.01242	1.3
61.98706	3.7
67.01747	0.8
68.99680	0.6
71.01257	8.6
72.99178	1.0
73.02824	2.0
75.00752	1.2
83.01260	9.8
83.38514	0.5
83.52359	0.6
84.02058	2.9
85.02822	100.0
86.03149	1.6
87.00746	0.7
99.00744	1.0
101.02314	5.2
103.03955	0.8
111.00768	32.3
112.01089	1.3
115.07522	3.2
119.80254	0.7
129.01833	46.7
129.09106	14.0
130.02167	1.2
135.04454	0.8
140.28036	0.6
161.02374	0.6
161.04517	2.9
179.03430	0.6
187.02399	2.2
197.11823	0.7
204.69926	0.7
205.03465	28.7
206.03912	1.0
223.04523	5.1
229.13980	0.7
283.02274	0.8
331.03067	0.7
335.13617	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
55.01759	0.4
59.01245	1.1
61.97020	0.4
61.98709	1.4
65.03850	0.6
69.14824	0.4
69.27934	2.7
69.28351	0.9
71.01270	0.7
73.02821	1.4
81.03354	0.5
83.04900	1.8
85.02814	0.4
87.55441	0.4
93.03336	11.8
99.00769	0.5
107.04897	1.5
109.02868	1.0
111.04407	3.6
133.02856	7.0
134.03638	5.2
135.04414	100.0
136.04749	4.0
137.02348	4.9
155.03409	1.4
161.02354	21.7
162.02699	0.9
173.04469	1.8
179.03416	74.9
180.03775	3.9
194.99301	0.5
195.91814	0.4
291.08603	0.5
335.07709	19.3
336.07944	2.1
347.44522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24647	0.4
59.01252	0.5
69.39215	3.2
71.01241	0.4
73.02824	1.7
77.71834	0.4
78.75096	0.4
80.83347	0.4
81.03345	0.8
83.04899	1.6
85.02870	0.5
93.03333	12.2
101.76899	0.4
107.04932	0.7
109.02849	0.7
111.00735	0.4
111.04389	3.6
117.03356	0.6
123.00733	0.5
132.02061	0.5
133.02861	6.8
134.03656	4.8
135.04414	100.0
136.04739	4.4
137.02333	6.3
142.48459	0.4
155.03423	2.3
161.02348	25.5
162.02686	0.9
173.04431	1.9
179.03418	91.9
180.03737	4.1
241.45651	0.4
291.08817	0.6
335.07706	24.3
335.20798	0.7
336.08002	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
65.03830	0.5
71.01247	0.3
71.28925	0.5
72.44636	0.3
73.02818	1.8
81.03324	0.6
81.44130	0.4
83.04886	1.6
89.03861	0.4
91.05387	0.3
93.03333	13.2
94.03690	0.3
95.39838	0.3
99.00763	0.5
99.04372	0.7
106.04140	0.4
107.04914	1.7
109.02842	0.5
111.04412	3.3
113.92729	0.3
117.03337	0.7
133.02846	9.7
134.02846	0.3
134.03665	5.6
135.04413	100.0
136.04739	4.8
137.02351	4.7
138.02660	0.4
143.03452	0.3
155.03406	1.8
161.02345	22.8
162.02681	1.3
165.64343	0.3
172.03709	0.3
173.04442	2.0
179.03415	83.8
180.03755	4.1
225.43477	0.3
291.08817	0.5
335.07715	24.9
336.08133	2.4
345.28241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31296	2.5
55.01746	6.5
57.03318	9.7
59.01251	31.4
59.79075	2.8
69.66093	9.0
69.66508	7.0
71.01256	90.6
71.04887	9.9
73.02821	29.2
75.00751	3.3
83.01270	12.0
85.02824	58.5
85.03286	2.0
87.00748	3.3
89.02339	12.9
94.75040	2.5
95.01273	8.1
97.02810	2.7
98.20590	3.7
99.00757	12.3
101.02318	44.6
113.02329	40.1
119.03432	2.7
125.02319	5.0
127.11164	23.8
129.01791	3.0
153.09096	4.1
159.02895	7.2
161.04485	12.9
171.10187	100.0
172.10510	3.8
191.01837	3.6
231.32307	3.0
254.03828	2.3
257.65244	2.5
286.26282	2.5
305.85010	2.9
333.04672	2.6
333.15601	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.3
57.03616	0.5
59.01254	43.1
60.37737	0.5
70.41506	2.0
71.01253	1.6
83.01247	0.8
83.04875	1.3
85.02827	8.8
89.02317	1.9
91.03891	1.3
105.10176	0.6
108.23510	0.6
111.00766	2.8
111.08067	0.6
127.07513	0.7
127.11158	0.6
129.01849	3.3
129.63353	0.6
137.09625	10.6
143.95206	0.6
155.10686	100.0
156.11003	4.8
164.07021	0.7
171.10184	31.1
172.10477	1.8
181.08574	4.5
199.09698	22.7
200.10089	0.8
205.03476	2.1
215.12897	2.2
217.10770	41.8
218.11092	2.3
223.04402	0.6
241.10753	0.8
259.12061	1.0
273.13437	21.3
274.13837	1.3
291.14499	75.1
292.14853	7.0
327.51514	0.7
333.15555	29.2
333.19052	1.7
334.15909	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	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	8.0
58.00468	5.1
58.69807	4.1
59.01253	68.8
67.44733	3.4
69.16235	3.4
69.45300	9.0
69.45691	24.5
71.01250	100.0
72.99186	7.9
73.02818	38.2
83.01247	16.2
85.02824	51.6
85.88332	4.0
88.25146	4.5
89.02325	14.2
95.01251	7.3
98.76295	3.5
99.00744	13.2
101.02325	98.7
113.02325	38.9
117.73001	4.3
119.03392	5.1
121.62286	4.2
125.02341	5.3
129.01797	4.9
155.10637	22.7
159.02925	9.7
161.04466	33.3
171.10130	8.9
217.10699	5.4
289.16556	22.7
291.14426	19.8
333.15585	82.1
334.15814	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	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12304	1.7
55.01756	4.5
57.03326	17.5
59.01247	5.6
65.80672	1.8
71.01254	10.9
71.52259	2.2
72.99200	3.2
73.02806	3.1
79.30154	1.9
83.01260	9.2
84.02028	2.6
85.02821	100.0
86.03175	2.1
87.00761	2.0
101.02322	8.0
108.01067	2.0
111.00760	36.2
125.02325	4.0
129.01825	40.5
135.71663	1.8
141.84633	2.2
159.03017	2.2
161.04471	4.0
187.02435	3.3
205.03488	37.9
223.04546	66.8
245.00969	1.9
333.05084	2.2
333.19186	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	333.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56507	1.6
55.01754	3.7
55.55424	1.4
57.03327	20.5
59.01246	14.2
65.99407	1.5
68.99702	1.8
71.01266	9.3
72.99174	2.6
73.02819	3.1
75.00765	2.7
83.01260	10.6
84.02029	3.2
85.02821	100.0
86.03156	1.9
87.00753	2.2
101.02346	12.0
107.01301	2.4
108.58218	1.6
111.00761	41.1
111.01489	3.0
121.34422	1.5
127.07545	2.0
129.01840	36.5
137.09619	2.4
140.89827	1.6
147.02901	3.1
155.10681	17.8
156.11066	1.8
161.04437	2.2
162.69809	1.6
171.10185	5.5
187.02408	1.8
199.09665	3.9
205.03476	34.6
217.10779	7.8
223.04538	64.3
224.04919	2.4
227.80627	1.5
273.13388	4.7
291.14511	17.1
333.05014	2.8
333.15619	7.5
333.19073	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35898	0.5
56.78944	0.5
59.01239	0.6
63.52693	0.6
71.51605	0.9
83.51740	0.6
85.02820	1.1
92.04927	1.9
94.06490	3.4
104.04938	2.1
105.03329	2.6
106.06500	10.0
108.04418	1.6
109.82114	0.6
120.04441	4.6
121.05202	1.5
122.02332	1.1
122.06012	14.2
123.03137	2.3
131.03679	1.1
132.04451	7.0
135.03114	0.8
138.05508	20.8
139.05869	0.8
149.02344	0.6
150.05495	1.7
177.29245	0.7
187.09673	0.6
189.07802	0.8
196.90033	0.6
200.05821	0.6
200.10725	0.7
215.11758	1.0
217.07391	2.0
241.06155	0.6
241.09775	2.1
243.11356	1.4
271.10995	1.2
289.11942	100.0
290.12253	8.9
297.17505	0.6
333.04974	1.2
333.10840	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.34852	1.5
62.75677	1.3
63.10366	1.4
69.03334	5.9
70.58813	2.1
70.79295	3.1
70.79631	2.7
81.03348	3.3
84.57482	1.6
84.93591	1.8
95.01271	2.6
97.02847	4.1
107.01287	3.2
123.00775	6.4
124.01572	22.3
124.24060	1.8
125.02344	95.2
126.02668	2.1
149.99506	41.2
151.00188	2.7
153.01857	2.5
167.03375	2.2
168.00554	93.6
169.01344	11.8
250.90813	1.4
270.75232	1.6
313.05612	6.7
331.06717	100.0
332.07019	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03316	3.5
69.37803	7.3
79.01778	1.0
81.03351	1.4
90.11301	0.9
97.02823	1.9
98.20525	1.4
99.00768	1.7
102.70517	1.0
107.01270	1.3
123.00783	3.3
124.01546	12.5
125.02331	59.0
126.02598	1.2
137.02296	1.1
149.99486	19.5
151.00262	2.3
153.01701	0.9
159.02844	1.5
167.03410	2.1
168.00546	52.8
169.01328	21.7
170.01654	1.0
193.01392	6.3
193.02933	1.1
211.02417	7.3
223.02489	1.2
233.95070	1.1
241.03439	2.1
271.02673	1.7
286.89435	1.1
303.22757	0.9
313.05621	7.7
331.06729	100.0
332.07083	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.09130	0.4
53.82174	0.4
55.32592	0.4
57.03311	1.2
69.27690	3.9
69.28078	0.9
71.94290	0.4
83.04873	0.7
85.02845	0.8
99.08040	5.4
115.37320	0.4
125.09573	0.8
127.11197	4.0
139.11169	7.7
155.10651	1.0
157.12262	1.0
161.35513	0.5
164.85777	0.5
165.12885	0.5
166.13066	0.5
167.14325	1.1
171.10194	19.2
172.10524	1.3
183.13878	3.8
188.58514	0.6
193.12259	1.7
209.11794	0.9
211.13344	19.7
212.13638	1.2
229.02136	0.4
229.14417	12.8
230.14755	1.0
248.77377	0.5
266.20331	0.5
293.21320	1.1
302.38351	0.5
311.22183	1.2
329.23322	100.0
330.23657	9.8
330.27332	0.8
332.99219	0.5
352.09650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03325	1.2
58.00472	0.2
59.01248	1.7
65.03922	0.2
66.50690	0.2
69.03331	0.4
69.48453	1.0
69.48860	0.3
71.01265	0.2
71.04880	0.5
73.38689	0.2
77.96051	0.2
83.04873	0.5
84.02042	0.3
85.02812	0.4
85.06460	0.3
92.85227	0.2
97.06452	0.4
99.08035	6.3
109.02850	0.3
121.10159	0.4
123.08062	0.3
125.09606	1.6
127.11176	4.7
129.09099	0.5
137.02374	0.3
137.09604	0.5
139.11185	8.0
140.11493	0.3
155.10710	0.9
155.14331	0.8
157.12228	1.0
164.07570	0.2
165.01682	0.2
165.12764	0.5
167.10675	0.3
167.14322	1.0
171.10178	20.1
172.10497	0.8
172.69174	0.2
183.13828	4.7
193.12268	1.3
199.09663	0.3
199.13336	0.7
200.06831	0.2
201.11256	3.9
201.14998	0.2
202.11514	0.2
207.87384	0.2
209.11775	1.3
211.13339	22.5
212.13634	1.3
229.14407	12.0
230.14754	0.8
278.70868	0.2
284.89014	0.2
293.21228	1.1
311.22226	1.3
329.05215	0.8
329.23312	100.0
330.23657	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	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
57.52015	1.1
59.01247	11.9
60.44145	1.0
61.80090	1.0
71.01247	1.6
84.30618	0.9
93.03337	1.7
93.37096	1.1
93.53914	1.0
109.02807	1.4
111.00771	2.9
115.05397	1.5
121.02831	14.0
122.03599	3.2
123.00764	2.8
123.04410	2.0
124.01542	1.3
131.04898	3.0
136.01538	1.4
136.05168	2.9
137.02351	5.0
141.09106	8.4
143.04932	2.7
145.02826	2.6
147.04416	12.1
149.02328	5.7
149.05980	1.7
150.03114	17.2
151.03841	1.6
153.05406	1.0
158.03632	13.5
159.04422	37.3
160.05208	91.7
161.05994	35.0
162.03130	1.6
163.03932	18.6
163.19818	1.0
164.04697	16.0
168.04271	1.5
173.06030	10.1
175.07558	68.3
176.04701	1.4
176.07916	4.2
177.05482	17.8
178.06245	11.9
193.08658	8.2
195.27527	1.0
219.39366	1.0
314.11487	2.0
329.05566	4.7
329.13922	100.0
329.22409	2.1
330.14197	10.4
345.29736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01575	1.5
61.75162	0.8
69.03312	1.1
69.33988	4.5
69.34422	2.0
70.09016	0.7
71.01254	4.2
73.02824	1.5
78.34048	0.8
85.02836	3.0
97.02806	1.2
98.19827	1.5
99.00755	1.7
101.02319	2.9
108.02020	0.8
109.02839	2.2
111.00758	0.8
112.01038	0.9
113.02333	2.7
121.02869	1.5
126.30478	0.8
137.02318	3.1
141.01831	5.4
142.39943	0.8
161.04405	3.5
161.39696	0.8
165.01828	2.7
186.55566	0.9
199.45296	0.8
209.00832	4.3
242.02171	1.3
258.01587	2.2
259.02374	1.1
261.06229	1.2
269.10324	4.2
271.02493	1.3
272.03262	2.2
273.03995	1.4
301.03699	4.1
329.02307	7.1
329.13135	1.0
330.03519	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.64214	1.1
59.01242	3.9
59.35140	1.1
66.11935	1.1
70.42078	2.0
70.42414	2.9
72.71371	1.1
79.81234	1.3
108.02056	50.8
123.04411	17.7
125.27548	1.4
152.01068	33.6
153.01366	1.8
167.03412	100.0
168.03745	2.8
190.16289	1.2
245.57690	1.3
275.85150	1.3
330.68338	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
59.01247	0.8
65.00202	0.2
67.01749	0.2
68.99667	0.4
69.03325	0.8
69.17828	0.2
69.18223	1.2
71.04890	1.8
79.01783	0.2
80.02557	0.3
81.03330	20.4
81.59178	0.1
82.03680	0.3
83.01255	2.6
84.02028	0.7
90.37353	0.1
93.03338	3.3
95.01249	0.3
95.04903	8.2
96.05252	0.2
97.02830	4.6
98.20550	0.3
99.04395	18.6
100.04723	0.4
105.03369	0.7
117.03352	11.0
118.03683	0.5
119.04919	0.1
121.02831	0.7
123.00748	0.2
123.04409	5.7
124.01511	0.4
124.04757	0.2
125.01447	0.3
125.02339	4.9
126.02684	0.2
135.04417	0.4
137.06009	0.3
139.03912	3.0
139.30063	0.1
140.04233	0.2
148.01521	0.1
149.02351	0.9
151.00288	0.1
161.02354	1.5
163.03941	0.8
164.43347	0.1
165.01836	0.4
166.02605	0.3
167.03412	100.0
168.03745	3.8
191.03464	0.2
192.00600	0.5
193.01318	0.7
207.02785	0.2
209.04526	1.2
235.02431	3.2
236.02780	0.2
289.55716	0.2
329.06543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.34665	6.6
50.82048	6.3
57.14243	7.4
59.01233	8.2
70.85316	9.8
83.04890	15.0
86.95824	6.8
112.53791	7.8
118.54330	7.2
131.82346	7.1
185.00627	8.9
188.14081	7.1
235.20692	30.4
253.21683	100.0
324.21613	7.4
327.18188	16.6
327.21713	25.2
345.12677	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.72527	0.9
51.61054	0.8
57.03307	1.5
58.67030	0.9
59.01253	1.1
59.10155	0.7
59.58616	0.7
69.03326	1.0
71.01246	1.1
73.02820	4.6
76.16762	0.9
76.37220	0.8
97.06467	2.0
98.03647	0.9
99.08019	2.9
112.05197	2.2
113.09582	1.8
115.07539	2.4
125.09612	2.6
127.07561	4.9
127.11182	3.3
129.09113	30.1
130.09436	1.5
141.09119	11.7
141.12796	1.1
145.03929	0.8
153.12744	1.2
155.10686	27.8
156.10945	1.4
157.80212	0.8
160.17021	0.8
163.11374	0.8
165.12691	1.1
171.10170	20.3
185.11757	48.5
186.12064	3.0
197.11769	38.4
198.12067	2.3
209.11775	7.6
229.55025	1.1
291.19666	12.1
292.19943	2.1
309.20700	27.7
310.21054	2.0
327.21759	100.0
328.22205	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03328	3.9
57.38359	0.5
69.03326	4.4
69.42902	4.1
83.04898	0.7
84.02051	1.0
85.02825	14.4
95.04901	0.5
97.02846	2.0
97.06462	4.4
98.19711	1.0
119.08524	0.8
125.09610	1.6
125.99736	0.6
127.11177	2.3
137.09599	4.1
138.10004	0.5
146.50172	0.4
155.10696	1.2
163.11166	0.5
165.12720	0.6
167.10648	0.6
167.14284	1.1
167.71913	0.5
171.10182	30.5
172.10506	1.0
177.12668	0.9
183.13832	3.6
185.11818	0.9
193.12186	1.2
197.11867	0.6
201.11308	1.4
203.10703	0.6
209.11853	2.2
211.13344	16.2
212.13702	1.4
221.11783	2.2
229.14404	9.6
239.12897	1.5
291.19781	2.9
291.36438	0.5
309.20859	1.3
327.21759	100.0
328.22098	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	21.7
59.01245	44.9
71.01260	38.6
71.55441	19.0
73.02814	22.6
81.33115	18.6
85.02832	20.1
170.26703	20.1
171.10185	30.2
178.99881	22.4
205.05803	16.8
291.19724	100.0
327.13010	23.3
327.21542	97.8
327.25150	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.9
55.90803	1.3
57.03327	18.1
59.01250	2.1
67.01790	1.5
69.36841	11.1
69.55672	1.3
71.01249	5.4
73.02810	2.3
83.01250	8.8
85.02825	100.0
86.03154	1.8
99.00746	1.9
101.02342	2.3
111.00764	18.7
121.02847	17.7
129.01839	43.1
159.03020	1.6
161.04494	2.0
173.00954	1.6
176.73215	1.5
205.03543	16.5
272.49338	2.5
308.25180	1.6
314.93930	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75604	1.2
55.01751	5.0
57.03320	25.3
59.01241	2.1
67.01751	1.3
69.22987	1.3
70.99716	1.9
71.01242	5.7
72.99174	1.8
73.02827	4.7
75.96559	1.3
83.01259	12.2
84.02039	3.8
85.02820	100.0
86.03144	1.9
101.02319	2.8
111.00760	23.3
121.02836	21.7
129.01831	38.0
129.31285	1.3
130.18785	1.2
130.56909	1.1
139.39107	1.4
161.04445	2.8
165.05424	2.5
170.53323	1.3
187.02495	2.3
205.03465	14.2
214.66899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29626	0.7
55.01756	4.0
57.01451	0.7
57.03322	21.2
59.01249	1.5
61.26484	0.7
67.01764	1.3
68.04958	0.8
68.99715	1.0
69.58410	3.7
71.01244	4.8
72.99184	1.2
73.02822	3.0
75.00720	1.8
83.01249	9.8
84.02041	2.7
85.02824	100.0
86.03178	1.9
101.02320	3.9
111.00764	23.6
112.01105	1.3
121.02846	19.8
129.01837	41.0
130.02165	0.8
149.02338	1.1
161.04474	1.8
186.96419	0.9
187.02420	1.4
205.03473	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.4
61.62382	1.4
71.08722	2.7
71.09096	2.3
73.02790	1.6
79.95609	2.7
83.04874	1.5
97.06470	3.3
99.08025	4.3
101.02327	1.6
107.07134	1.7
111.08032	1.7
113.09557	2.6
115.07503	2.1
126.06760	5.4
127.07543	17.5
127.11214	2.1
128.08334	38.9
129.09056	5.6
132.21587	1.5
160.07283	5.2
163.11237	1.8
165.12752	15.4
170.00314	3.0
177.12752	1.9
183.01135	50.0
184.01564	1.9
192.96927	1.4
193.07138	2.3
195.13835	6.9
197.02774	9.6
197.15501	4.2
209.11809	1.6
237.51721	1.6
249.22195	3.3
293.21207	31.2
294.21548	2.4
307.22693	5.9
325.18393	100.0
325.23770	59.6
326.18930	9.9
326.23944	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	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.92830	0.5
55.19397	0.5
59.01257	2.8
71.01286	0.7
71.22615	0.7
83.59073	0.5
91.42759	0.5
101.02304	0.9
149.09630	92.9
150.09988	4.7
153.45773	0.5
163.11203	100.0
164.11539	6.2
183.01151	14.6
184.01698	0.7
197.02736	1.3
209.11935	0.7
216.00934	0.7
265.39862	0.5
325.18369	22.5
325.21768	92.6
326.18698	2.5
326.22101	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79251	0.5
57.03322	0.6
59.01240	1.3
68.95716	0.5
71.01223	0.6
82.07102	0.5
98.20627	1.4
99.08031	0.9
104.20802	0.5
125.09592	0.9
127.11154	0.8
139.11176	0.8
153.12654	0.5
157.20821	0.5
165.12830	0.9
167.10796	0.5
181.12390	0.5
183.01172	1.2
193.12241	1.1
197.02806	1.1
224.29279	0.5
229.79260	0.5
249.22209	2.0
249.29948	0.5
291.19604	1.0
293.21207	12.0
294.21582	1.0
307.22647	1.2
309.20621	1.1
310.21484	5.3
325.18350	3.0
325.18414	2.7
325.23816	100.0
326.18628	0.6
326.20056	0.7
326.24127	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.95366	1.5
58.00436	1.8
59.01247	11.1
69.21798	2.4
69.22198	13.9
71.01255	7.7
71.04893	2.6
71.25352	1.5
83.04900	5.1
84.02036	4.0
85.02794	2.8
95.04908	7.6
97.06485	3.1
99.08035	3.1
111.08060	15.2
111.92031	1.7
123.08032	5.2
125.09601	5.2
127.07549	18.2
127.11179	4.0
131.09537	1.8
135.08057	3.1
137.09561	1.8
139.07567	5.1
155.10674	4.2
158.83971	1.6
163.11194	5.2
167.10654	2.4
167.14355	4.7
171.10213	13.9
178.09872	3.1
181.12239	3.0
183.10175	2.4
185.11732	31.4
193.07173	3.6
197.11740	29.3
199.13336	8.5
201.11263	17.7
209.11766	79.6
210.12122	6.5
211.13309	6.0
213.11255	3.4
213.14778	2.1
225.11453	2.4
227.12859	26.1
229.14455	8.0
237.50635	1.7
238.12083	9.1
245.19043	3.6
256.12936	3.7
267.16010	2.2
279.19702	2.4
289.18027	15.8
307.19138	100.0
308.19366	6.4
325.11456	2.1
325.20187	53.5
326.20490	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03313	5.1
59.01251	8.8
69.03323	1.7
71.01244	3.1
71.04883	5.9
81.03329	3.7
83.04885	4.1
85.06467	1.6
89.02302	1.6
97.06467	9.0
99.08022	4.9
101.02328	4.1
109.06497	2.1
110.77296	1.5
111.08052	2.0
111.76781	1.4
121.02862	3.5
122.03638	7.2
125.09617	3.9
126.03146	3.0
136.05196	2.2
137.09584	2.3
139.11159	2.1
163.06087	2.0
165.12759	6.6
167.14323	55.8
168.14622	2.3
171.76176	1.4
179.14343	3.0
193.07135	4.7
193.15909	37.9
194.16289	2.8
207.17476	44.1
207.19283	2.9
208.17761	2.3
209.11821	3.2
221.74226	1.5
229.59006	1.4
231.17491	3.9
233.15407	2.5
247.16985	3.0
249.18570	100.0
250.18938	5.8
275.16534	17.9
281.21201	75.4
282.21619	4.8
289.18210	5.4
293.17593	31.3
294.17993	2.2
307.19147	87.3
308.19485	8.4
325.11353	1.7
325.20224	63.4
325.23804	4.3
326.20575	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.22860	0.4
59.01247	1.1
62.66732	0.5
69.56820	0.9
69.57224	2.6
71.01233	0.4
91.53440	0.4
91.89670	0.4
93.03340	0.6
98.19850	1.0
101.02323	0.6
101.74199	0.4
112.90907	0.5
119.04921	100.0
120.05248	4.1
163.03925	96.4
164.04253	3.9
193.07104	0.9
235.43730	0.5
265.12054	0.6
325.14090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.4
63.01181	1.4
70.81432	2.1
71.01254	4.1
71.04874	3.3
73.02810	1.6
81.03334	2.1
81.13273	1.0
83.04900	4.3
84.02042	4.4
95.04910	1.9
97.06474	3.0
99.04376	2.1
99.08021	3.5
100.70284	1.2
109.06476	2.1
115.07534	4.2
123.08035	1.4
125.09618	8.5
127.07531	18.7
135.08037	3.4
138.06833	1.3
139.07503	3.8
153.09132	17.5
153.12666	1.7
155.10663	4.3
163.11203	4.6
165.12746	2.1
171.10207	16.9
172.10542	1.3
178.09897	4.0
185.11749	18.7
191.10637	1.3
191.14279	1.8
197.11760	19.2
198.12245	1.5
207.10216	2.5
209.11760	86.5
210.12079	5.1
211.13394	1.3
238.12035	6.4
245.19058	4.2
256.13058	2.6
263.20337	2.3
289.18100	10.6
297.20691	1.5
307.19131	100.0
308.19556	10.0
325.20197	44.3
326.20575	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.0
59.01246	6.3
63.36358	1.5
68.04712	1.8
69.03320	5.1
69.53605	12.2
71.01250	3.8
71.04890	8.3
72.00857	1.7
74.93449	1.4
79.19509	1.5
80.02547	5.3
83.04898	2.5
84.02032	2.6
95.04928	2.7
97.02860	3.9
97.06456	5.6
97.51740	1.7
109.06482	27.0
125.05959	3.2
127.07493	2.2
133.41162	1.5
169.12254	6.6
181.12265	4.6
183.13869	4.1
193.12303	3.7
197.11784	52.4
198.12059	3.4
199.13347	4.6
201.11293	2.4
211.13353	32.0
212.13725	2.7
213.11278	2.8
219.13702	1.9
227.12863	2.3
227.79042	1.7
235.13350	3.0
237.14844	10.7
249.15102	2.8
267.16043	2.2
289.18152	10.9
307.19122	10.1
325.20193	100.0
326.20337	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
52.46885	1.9
57.03308	3.2
59.01249	21.1
62.75421	2.1
71.01247	5.6
71.51955	4.3
73.12138	2.1
74.10726	1.9
89.02342	2.4
94.21304	2.1
100.67822	2.2
101.02330	4.6
107.60419	2.0
113.02383	2.3
113.09619	4.3
121.02847	6.3
122.03600	4.0
125.09612	3.2
136.05251	2.6
139.11223	3.5
163.06012	2.3
167.14360	6.7
168.04137	2.6
171.10283	2.4
177.62901	2.0
185.11984	2.2
193.07137	8.2
193.16034	5.1
207.17488	3.9
209.11781	9.0
231.17633	2.5
249.18593	33.2
250.18924	2.4
275.16541	28.1
281.21127	8.1
293.17603	100.0
293.20984	9.5
294.17926	9.2
307.19162	15.5
317.84598	2.0
325.11450	4.7
325.20172	85.0
325.23856	24.7
326.20416	6.1
326.24033	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	323.259
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
51.69981	0.4
57.03311	0.8
59.01253	3.5
71.01247	1.1
85.02797	0.4
89.02363	0.4
97.06477	0.8
98.19747	1.0
113.02312	0.9
113.09598	1.9
161.85066	0.4
207.17458	1.8
223.16974	19.3
223.19165	1.0
224.17276	1.1
247.20639	1.9
279.26837	0.5
291.19662	0.7
305.24860	19.2
306.25226	1.6
323.25894	100.0
324.22495	0.7
324.26245	9.8
342.27997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
51.44557	0.9
54.74292	0.9
57.03317	2.1
59.01250	8.1
64.26907	1.0
69.79966	4.0
69.80377	2.2
71.01254	3.2
79.33896	1.1
84.98913	1.0
89.02317	2.2
97.06464	3.2
98.19879	1.8
101.02325	1.9
105.01173	1.0
107.78264	1.1
110.78521	1.1
111.08060	2.2
113.02318	2.8
114.27135	1.0
119.15628	1.0
125.09649	1.0
140.44872	1.0
161.04376	2.3
165.12753	2.3
179.14290	2.6
193.12260	2.5
211.13367	2.7
229.19431	2.1
245.19151	1.3
247.20654	100.0
248.20967	8.4
279.23273	17.2
280.23615	2.3
291.19687	12.4
323.09735	2.1
323.22244	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01252	8.4
65.08789	2.9
70.42664	8.3
70.42979	4.6
71.01254	4.3
84.02063	5.0
89.98100	3.2
97.06473	22.3
103.78593	3.5
111.08070	3.8
113.02341	3.9
113.40217	3.3
124.05226	8.8
125.05972	100.0
125.06841	6.7
126.06799	25.5
158.05847	3.3
165.12794	19.7
177.12761	4.0
193.12286	5.4
197.15530	5.0
216.79349	3.6
221.11659	5.2
225.14925	4.6
230.63936	3.9
239.05022	3.5
247.20772	4.0
252.13570	5.7
253.14467	52.9
254.15219	66.6
273.18582	12.9
286.14288	12.9
288.60178	4.4
291.19650	32.7
305.21109	22.3
323.22229	98.2
324.22586	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.42407	0.6
57.03314	1.6
58.61505	0.7
59.01240	1.0
63.48873	0.8
69.19963	7.6
77.92216	0.7
107.04900	1.7
111.08056	1.0
123.08024	1.1
125.09570	1.3
129.45319	0.7
131.57690	0.7
163.11189	1.7
165.12741	7.1
181.12274	1.8
183.13771	1.4
191.14302	2.1
193.12321	1.5
209.11774	1.2
217.15829	1.5
221.11861	1.2
247.20609	3.5
273.18628	4.1
291.19662	100.0
292.20029	9.6
305.21329	1.4
308.19901	5.8
323.22263	88.6
324.22589	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03327	1.2
59.01256	4.8
69.03317	0.5
69.19240	2.3
69.19664	2.7
71.01237	1.7
83.01274	0.6
83.04880	0.8
85.02814	1.3
87.34261	0.5
89.02275	0.8
95.04888	1.1
97.02817	1.2
97.06494	0.9
98.20574	1.1
100.59146	0.6
113.02324	1.4
123.04398	0.9
123.08019	1.8
125.09628	5.7
127.07504	1.3
138.93202	0.5
161.04536	0.7
163.11186	3.7
165.09137	3.2
165.12665	0.7
166.09926	0.6
177.12746	1.4
181.10847	0.6
181.12228	3.1
197.11783	5.1
207.10164	1.5
221.11844	3.8
223.13623	0.7
239.12811	4.0
247.20604	1.4
254.14917	0.6
255.16031	0.5
261.22391	0.9
273.18661	0.7
291.19675	14.9
292.20010	1.1
305.21210	15.1
306.21277	0.9
307.19009	3.0
308.19861	9.2
309.20377	1.0
323.22266	100.0
324.22534	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15865	1.2
59.01248	4.5
59.47647	1.3
69.72382	3.9
69.72773	3.0
71.01253	3.9
74.52529	1.3
83.04887	2.9
89.02321	2.0
97.06462	6.1
107.60263	1.2
111.08053	3.0
151.11154	3.7
160.05191	1.2
168.72650	1.3
177.12663	2.3
179.14340	3.7
247.20657	40.0
248.21106	2.7
273.77560	1.5
279.23413	2.3
291.19672	100.0
292.20047	9.1
309.20691	4.1
310.13986	1.5
323.22266	90.0
324.22824	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
59.00994	1.2
59.01253	14.7
69.03315	1.7
71.01257	5.1
71.04904	1.5
73.02805	1.8
80.02530	2.0
81.03316	2.7
83.01251	1.9
83.04898	11.5
84.02023	1.6
85.02805	3.7
87.00759	1.8
89.02318	2.8
95.04887	4.2
97.02841	1.8
97.06459	6.1
99.04397	1.5
101.02308	1.8
101.19919	1.0
106.04099	1.1
107.04912	15.6
109.06455	4.3
110.03588	2.0
111.04420	1.3
112.21745	1.0
113.02329	4.3
113.05972	2.0
115.07507	1.1
121.02847	1.5
121.06475	1.0
122.03560	1.1
123.04393	2.1
123.08004	3.3
125.02349	2.0
125.05956	5.6
125.09602	10.4
135.08052	7.7
147.04468	1.1
153.09125	17.2
161.04449	1.7
163.11143	8.0
165.12758	4.5
171.10063	1.7
176.08339	4.9
177.09129	1.2
178.09908	3.6
181.12257	2.5
185.11766	5.2
187.48393	0.9
191.10815	1.7
191.13016	0.9
193.12138	1.1
197.11754	13.6
207.10222	9.3
209.11768	100.0
210.12094	7.3
223.21365	1.1
225.11304	5.8
236.10492	2.8
243.17403	2.0
251.16713	1.2
261.18527	4.6
277.18057	2.3
279.19516	4.4
281.17566	1.8
287.16479	11.2
305.17587	86.6
306.17868	8.4
317.15866	1.0
323.10065	1.4
323.18582	20.5
323.22174	2.2
324.18869	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
56.35214	1.6
57.03325	2.3
59.01252	14.9
69.30002	4.6
69.30434	7.7
71.01247	5.1
71.04893	1.7
80.39143	1.2
81.03323	3.2
83.04890	7.8
83.32025	1.4
84.02037	2.1
85.02840	4.2
87.00743	1.3
89.02309	1.9
95.04901	16.9
97.02827	2.3
97.06480	4.3
101.02312	2.4
107.04896	10.0
108.01998	1.3
109.06461	5.0
111.04411	2.8
111.08036	3.6
113.02347	3.3
113.05984	2.5
116.32526	1.3
121.02822	1.8
121.93044	1.4
122.03615	3.5
123.04427	1.7
125.02349	2.9
125.05976	3.6
125.09637	7.2
135.08060	5.7
143.03378	1.5
153.09122	10.7
161.04501	2.2
161.06119	1.3
163.11205	6.8
165.11551	1.9
165.12804	22.0
167.10713	2.1
176.08305	2.2
177.09145	1.5
178.09875	1.5
181.12299	3.0
191.10677	1.9
192.20174	1.2
193.12120	1.7
195.13777	1.9
197.11743	11.0
207.10216	6.9
209.11772	79.7
210.12064	4.1
221.11876	2.1
225.11221	6.1
227.12750	1.5
235.51151	1.5
236.10503	2.8
239.12991	3.7
243.17453	2.7
245.15421	1.8
261.18478	4.0
277.18127	1.7
279.19675	3.9
287.16467	14.4
291.19684	34.0
292.19989	2.5
305.17587	100.0
306.18021	9.2
308.19788	3.4
323.09726	2.9
323.18613	17.6
323.22275	39.4
324.19046	2.1
324.22623	2.8
324.75253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.3
56.81823	2.8
57.03322	24.3
59.01251	57.9
61.98697	5.2
69.03330	4.7
69.80118	18.2
71.01254	26.1
71.04887	19.9
73.02814	7.4
81.03329	10.9
83.01241	15.1
83.04900	13.9
84.02034	4.6
85.02842	15.4
89.02322	9.6
95.01245	5.6
95.04892	30.7
97.02831	6.6
97.06461	19.4
98.19878	3.9
99.04376	6.4
101.02329	6.9
101.06011	6.3
106.04120	4.2
107.04890	6.2
109.06499	17.8
111.04363	5.5
113.02364	15.2
113.05957	17.2
119.03374	4.4
119.04835	3.6
121.06473	8.1
123.04393	5.1
123.08067	8.1
125.05965	4.7
125.09630	24.1
134.03763	3.5
135.08035	15.2
147.04414	3.5
147.65141	3.2
149.09615	5.7
151.11151	8.9
153.12793	3.5
161.04440	12.6
163.11221	10.5
165.09140	4.4
165.12761	13.5
167.10654	8.9
171.10168	3.8
177.12756	8.4
179.10641	7.1
181.12308	21.0
185.11789	20.5
189.12712	6.7
191.10703	17.4
195.13835	3.5
197.11789	3.0
203.10710	6.5
203.14413	6.4
207.10233	6.2
209.11769	100.0
210.12112	5.3
211.13309	6.8
221.11742	5.0
235.13324	3.6
237.14940	77.2
238.15163	4.7
243.17477	15.3
247.13463	7.3
249.14934	7.2
261.18512	5.0
265.14380	15.7
287.16571	36.4
288.16864	4.3
305.17609	56.5
306.17947	5.7
323.09866	6.9
323.18600	52.3
323.22067	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.4
55.83894	3.3
57.03320	14.8
59.01252	56.4
64.93900	2.9
67.96714	2.8
69.03329	3.3
71.01252	18.9
71.04894	18.3
71.51828	2.9
73.02841	3.1
73.37844	3.0
75.55862	2.9
81.03339	7.0
83.01237	17.8
83.04900	10.8
85.02837	9.7
87.00732	3.6
89.02322	9.8
93.03322	4.2
95.01276	3.7
95.04903	43.4
97.02829	7.1
97.06466	18.2
99.04388	8.3
101.02336	10.3
107.04944	3.6
109.06488	10.2
111.08059	3.0
113.02338	11.8
113.05950	12.7
120.05711	3.7
121.02828	4.4
121.06472	3.3
123.04440	11.3
123.08056	5.8
125.05972	7.5
125.09631	34.4
133.06519	3.7
135.04486	4.1
135.08067	22.6
137.06000	3.8
137.09666	3.8
139.11169	4.0
141.12698	3.0
149.09613	5.9
151.07515	4.7
153.09177	5.9
161.04507	5.7
163.11195	12.3
165.12741	3.6
167.10646	4.6
179.05611	3.2
185.11784	30.9
189.12717	5.5
191.10695	5.8
203.14362	9.6
207.10207	3.7
209.11777	100.0
209.13779	5.1
209.15855	3.3
210.12088	9.2
235.13368	4.3
237.14888	13.4
243.17525	10.1
247.13373	10.9
249.14911	4.8
265.14487	33.1
281.17596	6.1
287.16547	14.2
305.17673	29.7
323.09836	9.8
323.18671	82.2
323.22156	5.9
324.18890	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.45725	0.6
59.01247	2.2
69.93554	1.3
69.93949	2.0
70.59325	0.7
71.01237	1.3
71.80716	0.6
78.95788	4.0
85.02792	0.9
101.70470	0.7
111.00739	0.7
123.29551	0.7
207.17484	1.4
223.17015	14.5
224.17607	2.6
233.15398	1.6
239.16415	0.9
251.16528	14.2
252.17010	1.6
256.16751	4.3
284.16385	5.2
293.24823	0.9
303.23288	10.2
306.72250	0.7
321.24371	100.0
322.21054	1.4
322.24597	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	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.61188	0.9
57.03320	2.1
59.01240	3.4
71.01265	1.4
73.61298	1.0
101.02345	1.6
113.02390	1.1
113.09614	11.3
123.07939	1.1
126.66846	0.9
131.87932	0.9
139.11200	1.0
195.13831	4.6
205.15739	1.8
207.13889	2.1
223.16934	4.6
235.17751	1.1
259.04541	1.3
303.23254	2.1
321.04654	0.9
321.24347	100.0
322.24579	10.5
322.27405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60712	1.2
56.81741	1.1
57.03308	5.5
58.00461	4.3
59.01253	85.9
69.38506	3.3
69.38924	8.1
71.01255	57.0
72.99171	5.3
83.01252	4.2
84.02045	1.6
85.02824	31.7
87.00747	2.2
89.02318	53.9
95.01263	3.1
98.79675	1.4
101.02320	42.6
111.00780	7.7
113.02332	23.4
115.07552	3.4
119.03387	27.8
129.01823	10.0
131.03394	2.0
141.09128	13.2
143.03381	1.8
159.10168	4.1
161.04485	3.2
205.03465	4.9
321.15524	100.0
322.15836	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16262	0.6
55.01768	1.8
57.03326	3.8
58.00456	5.3
59.01250	100.0
60.01565	0.6
69.32855	4.5
69.33274	1.3
71.01252	60.9
72.01595	1.1
72.99189	5.5
73.02843	1.2
78.41888	0.6
83.01260	4.9
84.02041	0.8
85.02821	23.3
87.00767	3.3
87.61266	0.6
89.02317	65.6
90.02651	1.1
95.01260	4.5
97.11053	0.6
99.00771	1.1
101.02322	46.2
102.02698	0.7
107.01640	0.7
109.92834	0.6
111.00771	3.6
113.01530	1.1
113.02332	25.1
115.07561	2.0
119.03390	36.3
120.03779	0.9
129.01831	5.8
131.03406	2.7
141.09116	7.4
143.03404	2.8
147.04382	1.1
149.04466	2.4
159.10182	9.2
161.04474	1.9
179.05524	1.9
205.03455	3.3
321.15533	59.5
322.15851	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15514	1.0
55.01752	6.0
56.77919	0.9
57.03318	19.5
59.01244	2.3
67.01740	1.5
68.99692	0.9
71.00922	1.3
71.01235	5.5
72.99187	1.8
73.02795	2.2
75.00740	1.5
82.75541	0.8
83.01247	9.9
84.02031	1.9
85.02821	100.0
86.03179	1.5
87.00744	1.1
98.84083	0.9
99.00720	1.1
101.02319	5.1
111.00757	31.0
112.01088	1.0
112.87033	0.9
114.18232	0.9
115.07529	14.5
129.01834	43.6
130.02138	2.0
161.04462	1.6
187.02426	1.3
205.03459	21.2
223.04553	3.8
321.11890	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	320.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24760	0.4
59.01249	3.9
71.04895	0.6
71.23446	0.7
77.65399	0.4
85.02834	0.9
97.06466	0.6
105.05741	0.5
118.06553	0.5
119.07307	0.6
129.01955	0.4
132.08064	0.9
134.09651	44.1
135.06834	0.7
135.09976	1.6
148.11279	0.7
161.08400	1.3
174.09213	0.5
175.09940	2.0
190.12300	100.0
191.12646	6.5
194.61766	0.4
200.13834	0.4
202.12267	0.7
204.36864	0.4
214.15999	0.9
232.17046	3.2
246.11279	0.9
255.58588	0.4
258.14923	1.0
276.16046	20.2
277.16379	1.9
283.09763	0.4
302.13986	3.2
320.15009	14.9
321.15335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
55.68081	0.7
56.24904	0.6
57.03050	1.1
57.03325	20.3
59.01231	1.4
67.01773	1.2
68.63360	0.6
68.85457	0.6
68.99691	0.6
70.89545	1.5
70.89917	0.9
71.01247	5.7
72.99172	1.6
73.02812	1.8
75.00758	0.9
80.47551	0.7
83.01255	10.4
83.02376	0.6
84.02025	3.1
85.02823	100.0
86.03155	1.4
99.00749	0.9
101.02325	6.1
111.00762	33.3
111.29376	0.6
112.01077	0.9
115.07537	14.7
129.01826	40.0
130.02126	1.2
143.03468	0.6
161.04510	1.5
183.10300	0.9
187.02396	1.9
198.01860	0.6
205.03485	19.8
223.04503	3.4
316.08591	0.7
321.11871	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	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72345	1.0
53.28932	1.1
58.02850	6.7
59.01234	2.3
60.32561	1.1
61.08426	0.9
64.38712	1.0
65.92141	0.9
72.00764	4.8
78.95715	1.1
82.06493	2.4
91.05399	8.0
93.18933	1.0
112.07552	3.1
116.26783	1.0
118.06511	2.3
128.32178	1.1
129.10229	75.5
130.10536	2.3
147.04425	29.9
148.04669	1.1
153.10236	3.9
154.08653	11.8
164.07082	68.2
165.07416	2.2
171.11308	57.6
172.11650	2.3
216.13846	1.2
227.12788	2.9
230.60272	1.3
233.16547	35.3
234.16953	3.0
245.13911	1.7
275.17697	5.1
277.15482	4.2
303.30798	1.0
319.16605	100.0
320.17096	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01242	0.8
70.80080	0.7
71.01251	2.2
72.14415	0.3
73.02813	0.3
81.03309	0.7
81.76017	0.4
85.02824	1.9
93.03320	0.5
95.01257	1.2
101.02322	0.4
106.41937	0.3
108.02051	63.7
109.02851	16.8
113.02339	0.9
115.56058	0.4
121.02818	0.7
123.00767	1.0
123.04401	0.9
133.02800	0.4
151.03926	1.4
152.01057	41.5
153.01840	26.8
154.02194	0.9
163.03900	1.0
165.01848	2.0
181.05034	0.4
195.02975	0.4
225.03955	0.6
315.07208	100.0
316.07581	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01248	0.4
60.86344	0.3
71.01253	2.3
72.00845	0.3
73.02825	0.9
74.42245	0.2
79.14497	0.3
81.03332	0.9
83.01253	0.4
85.02829	2.4
93.03307	0.4
95.01274	1.3
99.00770	0.4
101.02347	1.0
108.02055	100.0
109.02856	31.2
110.03159	0.5
113.02316	1.0
121.02814	1.3
123.00753	1.0
123.04459	0.4
133.02797	0.4
135.00763	0.4
137.38535	0.3
150.40544	0.3
151.03894	1.4
152.01060	68.1
153.01845	29.4
153.02879	0.3
154.02174	0.7
163.03926	1.4
165.01875	2.1
177.01807	0.3
195.02940	0.4
225.04074	0.4
307.51419	0.3
315.07211	71.8
316.07553	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01245	0.5
61.86453	0.2
77.03867	0.2
89.02341	0.3
93.03357	0.2
98.19773	0.5
121.02845	100.0
122.03175	3.2
178.86600	0.2
180.05739	0.9
181.06517	4.4
182.06816	0.3
200.41792	0.2
211.95976	0.2
225.05545	6.8
226.05843	0.4
229.67952	0.2
253.09271	0.2
269.08197	0.4
313.07175	13.3
313.23401	0.7
314.07452	0.9
315.98996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01251	100.0
60.01588	1.3
69.28036	0.4
70.38320	1.2
70.38683	0.9
73.05837	0.6
76.30887	0.4
89.02322	0.6
104.04994	0.5
110.90753	0.4
113.17487	0.5
120.52740	0.5
174.54070	0.5
176.94913	0.4
225.22171	1.0
253.21771	4.5
271.22769	42.8
272.23077	3.3
313.18210	0.6
313.23825	11.0
314.24319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
73.53465	0.5
79.40758	0.6
89.73601	0.6
97.06489	0.6
98.19765	1.3
113.09588	1.1
115.07547	1.0
167.14322	3.5
183.13799	2.4
195.13824	12.0
196.14178	0.9
211.13310	0.9
213.14906	1.6
239.23714	0.7
242.14983	1.1
258.55164	0.6
267.23160	0.7
293.21249	6.5
311.22278	100.0
312.22659	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35439	0.7
59.01245	1.1
73.29668	0.7
76.78075	0.8
93.02297	0.8
117.59064	0.7
127.11222	1.0
129.09085	2.2
135.32574	0.8
135.35585	0.7
141.41547	0.8
141.91560	0.8
153.12720	3.8
169.12224	2.4
171.10060	0.9
181.12250	10.9
197.11700	1.7
199.13365	1.9
211.13245	0.8
218.65530	0.8
228.13643	1.4
229.87149	1.0
249.22311	0.9
265.21689	1.0
293.21274	10.4
311.22287	100.0
312.22699	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
58.00471	0.7
59.01247	2.1
70.80932	1.0
76.84148	0.5
77.40552	0.5
94.30130	0.4
97.06459	0.9
99.08025	4.5
111.08041	0.8
113.09613	4.8
114.10005	0.6
129.09100	9.0
139.11183	0.6
151.11215	1.5
153.12781	0.9
163.11066	0.6
167.14311	1.1
169.12230	3.8
171.10159	1.6
179.10730	0.5
181.12245	7.5
183.13818	3.8
193.12257	2.6
197.11765	14.0
199.13324	6.5
211.13338	24.9
212.13664	1.7
218.89499	0.5
249.22043	0.5
265.21689	1.2
275.20157	1.4
293.21213	19.2
294.21570	1.9
311.22263	100.0
312.22607	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	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.32169	0.5
57.03305	0.7
59.01244	1.3
63.52660	0.5
69.23429	5.4
97.06477	0.8
113.09605	0.6
121.02845	1.1
122.03626	1.0
136.05231	0.6
139.34889	0.5
148.71565	0.5
157.08572	1.3
167.14311	2.5
195.13766	0.9
207.17554	1.1
211.13289	1.0
223.20639	2.2
249.18538	4.8
267.19653	100.0
268.19949	8.5
275.16577	6.7
276.16675	0.9
293.17621	31.2
293.21118	3.5
294.17947	3.6
311.18628	26.8
311.22269	15.7
312.18973	2.9
312.22519	1.2
317.44412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76456	1.0
57.03313	2.1
63.98943	1.2
67.26163	1.1
69.51270	6.9
83.04922	1.7
99.08031	2.6
103.28040	1.1
106.61097	1.3
113.09579	3.0
129.09135	5.8
139.11163	2.6
139.89450	1.1
165.12749	1.3
169.12175	1.8
171.10184	6.7
171.97836	1.2
181.12207	3.8
183.13850	2.4
193.12276	4.4
197.11766	8.5
199.13298	4.2
211.13324	21.6
211.21123	1.1
275.20227	1.8
290.27765	1.2
293.21213	24.9
294.21423	2.3
303.38281	1.1
311.22266	100.0
312.22653	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01236	2.6
83.04901	1.3
97.90206	1.0
98.20544	4.4
99.08028	1.9
101.17413	1.1
112.19601	1.2
113.09616	3.1
129.09081	1.6
134.02438	1.3
139.11211	2.1
162.79559	1.1
167.14305	1.4
169.12225	1.8
171.10139	7.8
173.03696	1.1
177.12778	2.1
181.12209	1.5
193.12262	2.2
195.13858	2.9
197.11769	2.5
211.13356	9.6
249.22208	2.6
275.20078	1.8
293.21213	55.8
294.21597	3.7
311.22253	100.0
312.22610	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17178	0.7
54.89817	0.7
55.26257	0.7
57.03330	1.6
59.01238	3.1
61.27301	0.6
61.88114	0.7
71.28854	0.9
71.29189	0.9
82.71180	0.7
99.08030	3.5
111.08000	1.0
113.09611	2.6
117.39222	0.7
125.09607	2.1
127.07547	0.9
129.09094	7.4
130.09364	0.8
139.11140	3.5
151.11188	1.1
153.12732	1.0
163.11124	1.9
165.12773	0.9
167.14430	1.2
169.12303	1.9
171.10146	8.1
181.12276	6.7
183.13809	2.6
193.12291	2.0
197.11783	7.0
199.13333	2.0
201.11177	1.0
211.13348	17.2
213.13516	0.8
234.04228	0.8
236.74057	0.8
249.22183	2.4
275.20035	2.3
293.21222	43.5
293.42279	0.8
294.21603	4.1
311.22269	100.0
312.22623	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	309.2435
Annotation	AS 183
Peak:m/z	Relative Intensity
52.98657	1.3
54.88079	1.4
57.03324	1.5
59.01250	7.7
60.28675	1.3
71.01256	2.7
83.00854	1.4
95.94493	1.2
96.95878	5.5
97.06480	2.1
98.19682	2.6
99.00781	1.7
111.07990	2.0
113.09605	3.3
151.07521	2.9
152.08267	2.2
179.14330	21.9
197.11711	4.1
204.97792	1.5
209.15430	4.0
224.70523	1.2
246.98718	2.2
247.20677	2.2
265.18152	1.6
277.21725	91.8
278.22104	7.6
290.97906	1.6
291.19766	12.3
309.17239	14.7
309.20721	18.7
309.24326	100.0
310.21176	2.8
310.24667	10.5
311.71777	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	309.2069
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03312	4.1
59.01257	7.6
69.03317	3.7
71.01258	4.8
71.04889	3.2
71.52264	1.3
73.02806	2.4
81.03295	1.0
83.04879	3.1
85.02813	3.8
85.06483	1.3
87.04377	1.1
97.02825	28.7
97.06467	1.5
101.02328	2.7
107.71925	1.1
109.06506	4.6
111.04379	1.0
111.08010	4.0
123.08024	1.0
125.09586	1.7
127.07501	1.6
137.09619	7.7
142.54152	1.0
147.06551	1.1
154.86400	1.0
161.04408	1.3
165.12715	1.4
167.10733	1.4
169.12201	1.1
171.10167	13.1
179.10654	1.2
179.14333	1.4
181.12228	1.6
183.13844	1.5
185.11685	1.6
195.13837	12.6
197.11728	2.8
209.15338	1.4
211.13316	2.8
221.15411	9.3
223.13344	3.8
233.15411	2.1
234.11523	1.2
239.12831	2.2
239.16359	2.7
247.20605	4.1
251.16533	1.7
273.18588	3.1
291.19669	69.4
292.19858	5.6
309.04401	1.1
309.20694	100.0
310.21030	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37719	0.6
57.03341	0.9
59.01282	2.4
71.01275	1.0
80.02576	1.2
83.04935	1.9
97.02885	0.8
97.06477	0.7
106.52262	0.6
110.25504	0.7
111.08082	2.7
111.22380	0.6
137.09654	3.1
139.11226	0.9
141.09222	0.9
141.96069	0.7
151.07581	1.6
155.10725	3.0
165.12700	1.1
167.10687	0.7
171.10207	2.7
175.11467	0.6
181.12326	1.1
181.30614	0.6
193.12311	1.6
197.09152	0.6
197.11801	3.9
209.11613	1.2
209.15468	1.7
211.13373	1.7
247.20575	4.5
265.21713	100.0
266.22070	7.6
273.18527	1.3
276.38538	0.6
291.19653	17.5
292.19971	0.9
309.17529	2.4
309.20676	56.4
310.20929	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.90063	0.8
54.27806	0.7
55.01755	0.8
57.03314	2.4
57.28049	0.8
58.00471	1.0
59.01257	8.1
60.81986	0.7
69.03315	2.7
71.01253	2.3
71.04908	0.8
71.23235	1.4
73.02808	2.1
83.04903	1.5
85.02814	2.2
88.47217	0.9
89.02303	0.7
95.04916	1.1
97.02847	7.3
97.06480	2.0
98.03624	1.1
101.02357	1.0
109.06519	2.1
111.08041	36.7
111.08811	1.8
113.02332	1.4
123.04468	0.9
123.08085	1.2
125.09612	1.2
127.07543	2.6
137.09575	2.6
141.09149	1.1
151.11206	0.8
153.09109	1.3
153.12769	2.7
155.10826	0.8
163.11203	2.3
165.12782	4.9
167.10622	1.1
169.12265	6.5
171.10220	5.8
179.10744	1.6
179.14301	0.9
181.12263	4.1
183.13890	2.3
193.12357	1.5
193.15970	1.8
195.10173	0.8
195.13626	1.0
197.11778	98.0
198.12122	5.0
199.13289	4.4
209.11703	5.2
211.13423	10.6
221.11737	0.9
221.15520	0.9
223.13379	1.3
225.14729	1.7
227.12840	6.6
247.20641	5.2
256.21484	0.8
263.20172	4.5
265.18112	4.0
273.18689	4.9
291.19669	65.4
292.19968	4.7
309.20703	100.0
310.21045	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	26.4
59.01254	12.5
69.03319	6.5
70.89500	1.7
70.89821	3.6
71.01259	15.6
71.04889	3.7
73.02798	2.8
80.02536	3.5
83.01233	1.9
83.04910	8.5
95.04893	5.1
97.06435	7.5
100.86829	2.1
102.12872	1.7
108.18535	1.8
109.06454	2.5
111.08021	13.8
113.02381	1.7
113.09597	14.9
125.09628	6.3
137.09549	3.3
139.11165	5.9
140.95100	2.0
141.09126	2.1
142.99998	1.7
149.09570	3.5
151.03894	2.7
151.07588	6.0
151.11197	49.0
152.08284	2.5
152.11578	3.3
153.12708	5.3
155.10649	3.4
163.11154	8.0
165.12772	44.6
167.10657	6.1
169.12268	3.5
171.10153	3.5
177.09108	2.0
179.10699	10.8
179.14304	2.6
181.12260	45.2
182.12585	3.3
183.13814	3.6
185.11752	3.4
191.10727	21.1
193.15907	3.4
195.10196	2.4
197.10094	2.5
197.11752	16.6
209.11775	100.0
209.15331	6.1
210.12062	5.8
211.13356	11.5
216.83412	1.8
227.12778	2.4
247.20598	13.0
263.20108	5.7
265.21796	9.1
273.18576	3.6
281.21194	8.7
287.23047	1.8
291.19647	62.8
292.19965	6.7
309.17050	7.9
309.20660	75.2
310.21039	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19410	1.1
57.03325	3.0
59.01234	3.1
60.37610	1.2
69.03328	1.9
71.04894	1.9
80.02566	2.3
81.03338	3.3
83.01263	8.4
83.04898	5.6
84.02031	1.5
89.21121	1.2
93.39442	1.1
95.04909	2.0
97.02802	1.6
97.06467	6.0
98.03632	2.5
98.20594	2.3
111.08036	1.5
123.04411	3.9
123.08030	3.6
125.05949	2.4
125.09606	12.5
133.07652	1.1
139.11185	11.8
141.09154	1.3
149.09554	1.5
151.11079	1.5
161.09602	1.3
163.11246	9.1
165.12761	13.8
167.10641	3.9
167.14343	1.5
171.10214	1.5
181.12221	4.7
183.13884	2.1
191.10625	4.0
193.15913	5.9
207.10349	1.8
209.11765	56.2
210.12125	2.9
211.13330	1.6
247.20645	15.6
263.20251	1.3
265.21759	3.6
273.18649	3.2
291.19653	100.0
292.19968	9.5
309.20682	33.1
310.20956	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14008	1.6
57.03289	1.6
58.73279	1.5
59.01253	3.3
60.93026	1.5
63.77359	1.4
66.86949	1.5
71.00286	3.1
81.03318	1.7
83.01249	3.0
83.04903	3.2
95.04941	1.9
97.06485	3.5
103.60760	1.5
111.08018	2.4
123.04394	1.7
123.08099	2.6
125.06024	1.8
125.09609	3.0
139.11162	6.1
143.35297	1.5
154.04901	1.4
163.11140	4.3
165.12759	11.0
167.10699	3.4
181.12259	2.3
183.13823	2.2
193.15883	5.5
197.11761	3.7
209.11778	18.0
211.13359	3.1
247.20627	18.5
248.21144	2.0
263.20294	1.9
265.21664	14.6
273.18506	3.0
281.21024	2.1
291.19666	92.4
292.20004	7.1
309.20694	100.0
310.21030	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01215	0.6
57.03299	0.6
59.01247	0.9
66.10099	0.5
70.80865	1.5
71.01254	1.0
83.04925	0.8
86.62234	0.6
111.08025	2.7
123.48270	0.6
125.09581	1.3
127.11165	1.8
134.46182	0.7
151.11183	1.3
153.12772	4.4
155.10666	1.6
167.10670	1.2
169.12285	1.2
179.14355	2.0
181.12308	4.3
193.15913	0.9
197.11765	4.3
199.13324	1.1
207.13803	2.2
215.12843	1.6
227.12698	0.7
228.13547	1.7
247.20732	4.2
248.20963	0.9
265.21805	0.8
273.18655	3.0
281.21185	1.0
291.19669	40.6
292.19989	3.5
309.20703	100.0
310.21051	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87553	0.4
57.03302	0.6
59.01253	1.1
69.03324	0.4
69.43009	2.7
71.01235	0.5
83.04912	0.5
95.04928	0.4
97.02859	0.7
97.06455	2.3
98.03599	0.5
98.19777	0.7
108.43426	0.3
111.08031	0.7
113.09593	2.7
115.07484	2.1
121.10116	0.4
125.05975	1.0
126.06769	1.3
127.07500	0.5
139.11172	1.1
141.09142	1.9
144.33112	0.4
151.11185	0.6
163.11128	0.5
165.12781	3.7
167.10626	0.9
167.14311	2.1
177.09117	0.4
181.12248	3.7
183.13817	1.2
193.12262	2.0
193.15897	0.6
195.13800	1.3
197.11780	0.5
211.13338	4.2
213.14957	0.7
221.15395	1.3
229.14384	1.0
239.12897	0.6
240.13510	2.6
241.14450	0.8
245.19162	0.5
247.20673	3.8
263.20160	0.6
265.21667	0.9
273.18610	3.6
274.19016	0.4
281.21252	1.7
289.84885	0.4
291.19666	46.1
292.20084	3.9
295.20233	0.4
299.16919	0.4
307.18161	0.4
309.20712	100.0
310.21042	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59084	1.1
54.87966	1.3
60.58435	1.3
64.13788	1.1
69.80473	4.6
69.80883	3.0
73.39896	1.2
88.81577	1.5
97.06491	1.4
111.02728	1.3
111.08037	25.4
112.08353	2.7
127.07523	2.5
127.50581	1.3
151.11191	2.0
169.12241	5.8
181.12320	1.9
193.12216	2.0
197.11765	100.0
198.12102	6.5
199.13295	3.9
211.13358	11.4
227.12836	3.5
263.20108	7.3
291.19650	17.0
292.20032	1.7
309.20691	31.0
310.20969	3.5
326.87274	1.6
328.38852	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16248	1.9
57.03309	3.9
57.19245	2.4
59.01236	4.0
69.03329	8.2
83.04863	2.2
97.02834	29.0
111.08040	13.2
119.08569	3.0
125.09612	6.1
137.09645	5.5
163.11209	3.9
165.12743	12.3
171.10246	13.9
181.12279	2.9
183.13876	3.7
191.14409	2.0
193.15938	2.3
197.11794	25.5
198.12152	2.2
209.11755	5.5
211.13295	4.4
227.12874	5.6
247.20735	13.7
273.18570	3.7
291.19672	100.0
292.20020	11.3
309.20709	60.5
310.21057	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65494	0.8
57.03312	1.7
59.01231	1.1
69.03302	1.3
70.81283	2.0
83.04866	1.1
85.86210	0.9
97.02814	3.8
99.21642	1.1
111.08046	1.3
121.85403	1.1
123.04431	0.9
123.08025	1.3
125.09633	2.1
141.12701	1.1
151.03891	2.1
151.07510	2.0
152.08278	2.9
153.12732	1.0
163.11176	5.7
165.12772	6.4
171.10092	2.3
177.12596	1.0
179.14330	3.6
181.12221	3.5
186.89685	0.9
193.15829	2.9
197.11708	3.3
209.11766	1.6
209.15376	3.9
218.07556	1.0
221.11665	0.9
223.13350	2.5
247.20729	8.4
271.87408	0.8
273.18579	2.4
291.19650	100.0
292.20038	11.1
309.17059	8.5
309.20660	85.3
310.17545	1.9
310.20944	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60639	1.3
57.03302	2.8
59.01225	2.4
59.48815	1.3
69.03320	4.6
81.03303	2.0
83.04904	2.2
95.04882	1.6
96.00519	1.3
96.31880	1.3
97.02831	27.5
97.06441	1.5
111.08026	3.3
119.08521	2.3
123.04427	1.7
123.07996	2.1
125.09600	3.2
137.09605	5.0
151.11143	1.5
163.11183	5.5
165.09059	1.8
165.12756	13.6
171.10213	15.5
172.10439	1.4
179.14276	1.6
181.12270	3.7
181.36961	1.5
183.13786	2.2
184.64661	1.3
193.12238	2.8
193.15938	3.9
197.11766	3.6
205.29893	1.7
207.10156	2.1
209.08133	1.3
209.11815	6.9
211.13347	2.0
223.13336	2.3
227.12807	6.7
247.20627	11.7
273.18634	3.9
291.19650	100.0
292.19983	8.1
309.20709	56.6
309.24307	2.7
310.21033	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03312	2.4
57.06798	1.3
58.70671	1.3
59.01242	5.9
69.17231	6.5
69.17658	6.0
71.01230	1.8
71.04881	1.6
73.02828	1.5
83.04886	2.0
85.02802	1.2
93.06952	1.4
97.02830	1.9
97.06487	3.0
98.20525	2.5
111.08057	3.8
113.09605	1.4
121.10099	2.9
125.09639	3.2
130.24530	1.3
137.09622	1.6
141.09125	1.3
151.64217	1.3
152.95111	1.4
163.11166	1.8
165.12779	3.2
167.10617	1.5
171.10205	4.6
181.12279	1.8
185.11728	4.4
189.81638	1.5
193.12242	1.3
194.28078	1.4
195.13803	7.7
196.98172	1.3
197.11768	13.1
207.13919	1.9
209.11801	2.1
211.13332	19.8
214.27641	1.2
221.15366	3.0
223.16949	12.5
227.12869	1.4
229.80466	1.2
233.15427	8.0
234.28636	1.2
247.20599	3.2
247.47636	1.3
247.55719	1.2
250.89981	1.4
251.16505	42.7
252.16818	3.4
265.21866	1.3
273.18481	3.9
281.21304	1.3
291.19678	66.6
292.20038	5.5
309.20718	100.0
310.21054	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18818	1.1
57.03317	5.6
59.01248	2.9
69.03310	3.0
70.54766	2.4
71.04882	4.0
80.41323	1.1
83.04902	2.9
85.06453	3.5
87.63254	1.1
94.39154	1.1
95.04917	1.6
97.02821	10.0
97.06485	1.8
109.06475	3.7
111.04366	2.9
137.09612	2.3
139.83636	1.1
155.46400	1.1
165.12753	4.5
167.10599	1.4
171.10173	4.9
179.14340	4.6
181.12233	2.1
183.13849	1.4
193.12250	1.4
193.15916	1.3
195.13847	15.7
205.12245	2.6
209.11809	1.8
211.13329	3.3
217.16066	1.1
221.15411	16.1
222.15878	2.1
223.13403	6.5
227.12773	1.8
233.15399	2.3
239.16463	3.7
247.20500	5.6
251.16542	1.7
273.18552	4.9
291.19653	85.9
292.19955	7.4
309.20706	100.0
310.21124	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.86790	4.2
57.03331	22.9
59.01248	14.2
60.92728	4.0
69.03323	8.5
70.04386	3.8
70.38074	11.3
71.01268	10.8
80.02520	4.4
83.04897	9.8
97.06462	10.7
104.31615	4.6
111.08031	9.3
113.09630	11.1
116.39378	4.1
123.07990	4.6
125.09595	7.9
127.11211	4.3
132.18657	4.1
139.11147	7.3
151.11174	46.7
152.08350	7.2
153.12799	8.1
155.10693	8.5
163.11201	9.8
165.12766	38.3
167.10649	5.8
171.10190	22.7
179.10649	12.8
179.14346	5.7
181.12263	42.4
185.11722	23.5
191.10660	19.8
195.10175	4.2
197.11775	16.2
199.67081	4.2
209.11760	100.0
209.15164	6.2
210.12152	5.1
211.13313	13.3
224.88954	4.2
247.20667	15.0
259.48587	4.4
263.20209	7.9
265.21844	7.7
273.18759	5.0
281.21191	13.5
291.19650	83.7
292.19901	5.0
309.17090	12.6
309.20676	98.6
309.24161	8.2
310.21103	14.0
319.35046	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
58.82188	0.5
59.01235	1.4
70.08395	2.6
71.01246	1.0
74.86471	0.6
101.02376	0.7
120.13693	0.5
161.04324	0.6
307.22781	100.0
308.23129	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	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03319	2.3
59.01256	2.7
69.03346	1.2
71.00122	0.9
71.01252	0.9
71.04903	1.3
75.00120	0.4
80.02567	0.7
80.96407	2.0
81.03342	1.2
83.04920	1.2
84.02069	0.5
85.02839	0.7
85.06519	0.4
95.04950	1.2
96.39927	0.5
96.40563	0.4
97.02834	2.6
97.06479	0.7
98.03643	0.9
101.02344	0.8
109.06492	0.8
111.04417	0.6
111.08071	2.0
119.04929	0.4
123.04435	1.2
123.08073	1.3
125.05981	0.8
125.09592	2.6
127.07530	0.6
137.09677	1.0
139.11250	0.5
141.12788	1.2
151.11131	0.5
153.12758	0.9
161.09621	0.6
162.10410	0.7
163.11200	6.0
164.11623	0.4
165.09149	1.1
165.12773	9.1
166.09888	0.8
167.14351	0.6
171.10243	0.7
177.12749	0.8
179.10756	0.6
179.14308	3.8
181.12270	3.7
182.12971	0.6
183.13751	0.5
185.11783	1.2
189.12895	0.5
193.15955	2.6
195.13873	1.1
197.11794	4.5
197.15416	0.5
198.11942	0.4
207.10143	0.8
209.11821	3.1
211.13362	1.5
219.17554	0.5
221.11752	0.6
221.15460	0.8
223.13348	3.3
225.11281	0.5
227.12776	0.4
229.19392	0.5
245.19022	0.6
247.20631	9.1
263.20126	0.5
265.21945	0.6
273.18619	2.3
284.00793	0.4
291.12927	0.8
291.19675	98.8
292.20004	10.1
309.20718	100.0
310.21097	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	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03313	9.0
59.01244	7.9
66.76223	2.2
69.03329	2.2
70.16079	10.1
71.01246	7.4
81.79999	2.0
82.22819	2.0
83.04902	3.4
84.87479	2.1
85.29336	2.7
97.06447	13.2
109.06480	5.5
111.08031	8.7
113.16301	3.0
123.04419	2.5
125.09621	4.8
133.11975	2.3
137.09634	2.8
149.09619	5.2
151.11189	14.9
153.09123	2.8
153.12746	2.8
155.10680	8.1
163.11153	5.7
165.12785	22.0
167.10667	3.1
177.12785	3.7
179.10715	5.7
181.12245	17.6
191.10742	6.4
191.14339	8.5
192.06764	2.4
205.12276	5.4
207.04832	2.6
209.11765	39.1
210.12128	2.8
211.13333	6.7
224.10361	2.8
227.44421	2.6
239.09325	5.1
245.19049	36.6
263.20203	10.8
271.17090	3.1
279.19720	4.2
287.61804	2.4
289.18076	50.3
290.18378	4.2
307.19150	100.0
308.19525	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82996	1.2
57.03307	2.4
59.01257	10.4
61.66882	1.1
69.03315	1.6
71.01242	4.0
71.21754	1.1
71.51509	1.9
74.80367	1.3
81.03317	1.2
83.01234	1.9
83.04909	1.3
85.02836	1.3
85.97713	1.2
95.04926	1.6
97.02779	1.1
97.06418	1.1
101.02312	1.7
107.09515	1.2
111.08005	2.6
125.09489	1.4
148.15312	1.0
161.04492	2.1
163.11205	1.4
167.10706	1.3
177.12770	5.3
177.16411	2.0
179.10690	1.4
179.14340	15.1
193.85217	1.5
195.13791	4.6
205.12160	3.8
205.15932	10.8
209.11678	1.6
215.61267	1.2
223.13336	18.0
224.13828	1.3
231.21161	5.6
275.20160	81.8
276.20526	6.1
289.17996	3.1
307.10379	3.3
307.19415	4.3
307.22760	100.0
308.23019	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78309	2.7
53.22237	2.4
57.03324	3.2
59.01242	9.3
61.08781	2.7
64.60944	2.6
69.03304	3.3
70.53217	4.1
71.01241	3.5
76.19550	2.7
81.03328	6.6
83.01270	2.9
95.04893	4.6
97.02806	4.0
97.06467	10.2
106.04119	3.1
109.06431	4.3
111.08067	3.6
121.06464	2.5
123.04393	11.8
123.08038	3.0
125.09620	16.8
137.09633	12.6
141.12709	4.7
149.05986	3.3
151.11195	5.3
160.08871	2.8
163.07564	3.6
163.11174	14.2
165.12785	7.5
167.10670	3.0
171.10194	2.9
181.12292	5.6
185.11740	19.9
191.10635	3.7
191.14319	19.2
194.25357	2.7
207.10184	9.4
209.11769	33.1
225.11197	8.5
231.10220	3.1
242.68341	2.6
245.19073	48.3
246.19518	3.4
271.17126	4.1
289.18103	100.0
290.18445	5.2
307.19141	57.0
308.19431	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17382	2.9
57.03331	6.3
59.01257	7.7
59.27780	3.1
71.31762	6.4
81.03351	4.8
83.01254	5.9
88.24047	3.2
95.04926	4.7
97.02838	7.7
97.06464	14.4
103.03571	3.4
108.87850	3.6
123.04410	11.3
123.08067	6.1
123.94494	3.4
125.09636	19.0
135.08081	5.9
136.05237	4.0
137.06029	3.3
137.09587	16.9
141.12738	5.0
144.97318	3.1
163.11128	21.1
165.12688	4.9
171.10161	3.8
181.12270	6.9
185.11757	19.3
191.10701	5.1
191.14369	19.8
207.10219	11.6
209.11737	40.1
216.71317	4.1
225.11250	10.6
245.19106	52.9
246.19481	4.6
271.17023	8.3
289.18088	100.0
290.18506	9.3
307.19138	55.9
308.19748	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81021	2.8
53.11731	1.9
53.59564	2.4
56.99911	2.3
57.03323	14.8
59.01247	11.8
69.03324	5.7
69.50459	12.6
71.01239	11.2
71.04906	3.5
75.13634	2.2
75.40234	2.1
83.04896	6.7
89.28271	2.3
93.03320	2.6
95.04913	4.0
97.02820	3.5
97.06451	27.2
98.03603	3.5
98.19849	4.5
108.52869	2.3
108.77249	2.3
109.06453	7.4
111.08053	13.9
121.02795	2.4
121.06473	2.0
123.04411	6.1
123.08043	4.2
125.09602	6.4
135.08057	4.7
137.06006	4.7
137.09586	5.5
149.09608	5.4
151.11179	27.2
153.09143	3.8
153.12715	6.2
155.10699	12.7
163.11189	9.4
165.12770	33.1
167.10718	5.7
169.12207	2.8
177.09218	3.1
177.12720	4.4
179.10645	9.2
181.12268	31.2
187.64677	2.2
191.10739	10.9
191.14284	10.7
194.30598	2.2
197.11751	3.0
205.12343	4.8
209.11766	64.0
211.13408	12.4
224.10551	2.5
225.11246	3.3
226.11972	2.5
243.17624	2.3
245.16693	4.0
245.19070	46.1
262.26279	2.4
263.20184	11.4
271.16901	2.7
279.19720	4.6
289.18097	60.1
290.18326	4.0
303.06516	2.7
307.19113	100.0
307.22641	5.1
308.19485	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.38262	0.4
57.03320	0.6
59.01250	3.3
62.71564	0.4
69.03284	0.5
69.80297	2.0
70.28706	0.4
71.01234	0.6
71.04892	5.6
75.85291	0.4
80.02547	1.2
81.03336	1.7
83.04920	1.8
85.91947	0.4
95.04894	2.0
95.20502	0.4
97.06465	0.6
98.03615	2.0
106.04137	1.1
108.45024	0.4
109.02814	0.4
109.06477	14.3
111.04401	8.1
111.08049	1.1
112.05190	0.6
121.06454	0.6
123.08038	1.5
127.07557	3.0
135.08023	0.8
137.05913	0.6
137.09625	0.8
143.10658	1.7
145.06499	2.5
149.05975	0.6
149.09590	1.2
151.11128	0.9
163.11101	0.6
167.10695	2.5
175.11057	0.4
177.12817	0.6
179.10680	1.2
181.12346	0.6
191.14313	1.0
195.13855	4.1
207.17467	0.6
215.14404	0.5
235.13374	1.6
245.19121	5.6
246.19527	0.5
249.14900	0.9
251.16463	1.1
264.94427	0.4
271.17068	1.7
273.14905	0.6
287.16522	2.6
289.18094	100.0
290.18427	8.8
304.88104	0.4
307.10269	0.5
307.19171	10.7
308.19559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	7.4
58.41254	1.9
59.01241	12.0
59.83349	1.8
65.03832	16.5
66.91256	1.9
69.03325	4.4
71.01250	4.6
71.04906	13.6
80.02544	3.1
81.03326	4.3
83.04903	14.4
85.06447	3.0
93.03332	26.2
95.04896	3.1
97.06457	29.2
105.06949	2.8
106.04094	2.9
107.08573	3.1
109.06481	3.0
111.04372	4.0
111.08013	3.4
117.06987	17.6
119.04909	5.8
119.08556	28.4
120.05737	2.7
121.06475	29.3
121.10141	2.3
123.08042	4.6
125.09618	30.9
133.06465	7.6
135.08054	100.0
136.08360	2.8
137.09633	5.0
138.06764	4.7
146.56702	2.1
149.49675	2.2
157.95601	2.2
163.11172	3.1
165.12659	2.8
171.10181	81.6
172.10631	2.3
185.11746	25.1
191.14282	3.0
205.15915	6.0
209.11784	19.0
211.13350	16.4
221.08517	2.0
231.13831	2.7
233.15424	15.4
235.13312	28.8
236.13628	2.9
245.18993	8.5
245.21323	2.2
249.14919	20.5
252.13518	2.7
261.18509	3.7
271.17053	6.4
279.19568	9.2
289.18097	99.6
290.18445	10.8
307.19162	49.2
308.19589	2.7
314.80905	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.4
59.96601	0.4
70.08451	0.9
71.01248	0.9
74.98949	6.0
75.96106	0.4
76.38873	0.2
77.78539	0.2
85.02802	0.4
89.93715	0.2
91.02081	3.1
93.00011	4.0
101.02353	0.2
103.03919	0.3
118.83021	0.2
149.00876	3.2
159.08380	8.0
160.08710	0.4
161.04395	0.5
161.06377	2.2
164.67307	0.2
192.98074	0.7
206.99739	1.5
209.01198	3.2
209.11700	0.3
217.07187	0.9
223.02786	51.8
224.02878	3.6
225.00658	0.4
241.03748	1.1
245.19075	0.5
275.05991	0.6
289.07568	1.7
289.18130	1.7
290.07574	0.3
291.09094	100.0
292.09238	10.4
307.06296	0.2
307.12515	2.2
307.15265	0.3
307.15845	0.3
307.18936	1.5
308.12299	0.3
309.10144	1.9
319.85419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56290	0.4
59.01258	2.2
70.80740	1.1
71.01251	1.3
74.98945	5.9
85.02805	0.7
85.59512	0.4
91.02087	3.3
93.00018	3.5
101.02341	1.1
132.91180	0.6
149.00893	3.2
159.08377	6.2
161.04451	1.1
161.06322	2.6
172.68605	0.5
206.99777	1.0
209.01231	2.6
209.11911	0.6
209.79367	0.4
217.07190	0.7
223.02786	53.5
224.02811	4.2
241.03925	1.3
245.18983	0.9
252.43056	0.5
289.07498	1.7
289.18188	1.8
291.09106	100.0
292.09256	11.6
295.22836	0.5
307.09784	0.6
307.12286	2.1
307.19061	2.9
307.22360	0.6
309.10275	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47741	1.8
57.03302	2.7
58.00454	3.2
59.01248	100.0
62.82759	2.0
65.12943	1.8
69.40486	17.7
71.01254	62.1
72.99184	7.3
73.02827	3.0
74.02387	1.8
79.12771	1.9
82.51535	2.5
82.97004	1.8
83.01244	4.7
85.02812	25.8
86.72735	2.0
87.00739	4.0
89.02314	78.2
90.02668	2.3
95.01246	6.4
99.00712	2.3
101.02322	49.0
113.02327	26.7
118.29303	2.0
119.03391	32.8
119.07031	2.0
128.03416	4.7
129.03778	2.3
131.03336	3.5
143.03371	5.5
143.04491	4.7
144.04890	2.9
145.08562	2.1
149.04544	2.3
161.04425	5.6
191.01956	3.9
217.64093	1.9
307.10269	5.7
307.13867	37.4
308.14496	2.5
321.14325	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	306.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12162	0.4
59.01237	1.8
61.98655	0.4
69.74344	2.0
71.01254	11.0
71.04906	0.4
73.02800	0.4
74.02348	0.7
83.04925	0.6
85.02819	0.5
101.02331	0.5
115.00262	10.5
119.07305	0.5
128.03433	1.5
132.08109	0.6
134.09653	34.9
135.09978	1.2
143.04515	2.5
158.48866	0.4
161.04546	0.8
161.08356	1.3
172.11340	0.5
175.09926	1.8
179.04814	0.5
190.12303	100.0
191.12669	5.7
200.14240	0.5
210.08775	0.6
218.15471	3.8
245.19237	0.5
262.14468	10.8
263.14835	0.6
272.08868	0.7
288.12390	0.7
289.18066	1.6
306.07776	1.1
306.13474	6.2
306.17908	1.9
307.10278	1.4
307.13657	0.9
307.19101	1.5
310.13351	0.4
326.61536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98686	4.8
55.01746	4.5
59.01251	100.0
61.98684	7.3
69.03324	10.5
69.31935	26.8
69.32348	14.3
71.01247	91.1
72.99173	9.8
73.02822	26.2
73.34502	4.4
81.03334	10.7
83.01284	10.3
85.02826	28.7
89.02321	24.4
97.02821	14.4
99.00739	7.5
101.02329	38.7
103.03884	19.1
114.90695	4.3
125.02321	25.0
143.03384	7.6
161.04474	9.3
180.34691	4.7
191.05663	5.5
226.50729	5.5
234.56525	5.3
236.25432	4.5
237.72614	5.0
263.12610	6.1
307.10239	21.3
307.19211	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	307.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03325	11.0
59.01240	7.7
66.37704	0.8
67.01819	0.9
70.84246	1.8
70.84563	1.0
71.01250	5.6
72.95094	0.9
72.99166	2.1
73.02814	1.1
75.00732	1.8
79.79607	0.8
83.01247	3.1
84.02036	2.9
85.02821	100.0
86.03162	2.0
89.02314	1.1
92.93394	0.8
101.02324	1.8
103.00249	2.3
109.02793	1.4
111.00750	3.9
115.07516	5.2
129.01819	9.7
147.02887	8.1
151.03908	1.1
169.34529	0.9
173.00758	2.1
181.59399	0.8
191.01909	25.4
209.02892	1.2
307.10330	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.26201	0.8
58.02845	13.0
58.41384	0.8
59.01239	2.3
65.72485	0.8
66.03374	1.7
70.02835	2.1
70.27992	2.6
71.01246	2.5
72.00782	2.4
74.02343	27.3
81.04465	1.0
82.02845	4.1
84.04411	1.5
85.02821	6.1
85.03994	1.2
86.02354	10.7
86.05975	1.6
86.98962	1.6
87.05517	10.3
88.03924	1.4
90.00057	3.0
92.65333	0.9
97.03957	3.9
99.05521	25.1
100.00240	0.8
101.02323	1.5
101.07064	3.1
102.05474	2.8
107.05994	1.8
109.03951	3.0
111.05534	2.3
112.03930	4.0
113.03483	1.1
113.07126	1.0
116.01630	2.4
123.05535	3.2
124.03900	1.7
125.03474	3.5
127.05024	4.6
128.03429	69.3
129.01822	1.6
129.03798	2.0
129.99597	1.2
131.04501	2.5
135.05533	3.7
137.07100	1.4
138.15105	0.9
141.06580	7.2
143.04527	100.0
144.04842	1.8
145.06073	3.7
146.04471	8.2
146.74443	0.9
153.06627	6.3
160.00650	22.9
161.04579	1.0
166.09796	2.8
167.04550	6.5
167.08139	3.6
171.04088	1.3
171.07716	1.0
177.03322	8.6
179.04553	22.0
180.07617	0.9
181.06114	2.9
184.10838	1.0
184.30170	0.9
185.05583	3.1
191.01964	1.1
192.07736	1.3
193.06250	1.0
197.05634	3.1
198.08807	2.0
210.08778	19.0
228.09755	1.9
240.27541	0.9
242.07759	3.1
254.05148	1.2
254.07803	24.4
255.08281	1.2
272.05902	1.3
272.08884	26.0
273.09000	1.3
288.06656	5.8
298.55978	0.9
304.13339	1.0
306.07645	32.5
307.07724	2.1
308.63660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
53.55898	0.8
57.03311	1.9
59.01250	4.6
59.84234	0.9
71.00253	1.3
71.00585	1.3
71.04890	35.5
72.29676	0.8
81.03338	3.0
83.04897	1.8
93.03338	3.3
95.04897	17.5
97.02853	0.8
97.06461	1.7
106.04131	1.4
107.04904	1.8
108.02057	1.0
109.02835	1.8
109.06474	13.8
110.03636	0.9
111.04405	2.2
120.05669	1.7
121.06478	5.4
122.03625	2.4
123.04456	2.0
123.08044	1.3
125.09649	2.1
127.07552	2.7
135.08049	8.5
137.20093	0.7
147.04437	2.4
147.08102	4.0
149.05962	1.4
149.09554	1.0
150.06709	1.6
153.09097	1.3
161.05962	2.4
161.09598	1.5
163.23442	0.8
164.08324	1.3
165.09099	12.3
173.09541	1.5
175.07574	1.4
185.11748	6.7
189.12776	16.0
190.13132	1.3
195.13744	1.2
205.15877	6.5
206.16266	1.0
215.14417	1.1
225.94334	0.8
231.13835	2.2
233.11780	7.4
243.17476	12.4
244.17731	1.0
245.15448	1.8
249.14943	10.2
259.16971	1.1
261.18558	3.3
263.16534	2.2
269.15466	2.6
287.16528	76.7
288.16843	6.1
289.14401	1.9
305.17581	100.0
306.17923	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44995	0.3
58.02851	43.1
59.03175	0.4
59.27952	0.3
60.90725	0.3
70.02843	0.5
70.80411	0.4
70.80756	0.7
73.05162	0.3
162.78229	0.3
165.81609	0.3
168.13858	100.0
169.14206	4.6
212.12852	4.3
244.72765	0.4
304.19205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03323	6.6
59.01243	8.6
71.01244	9.0
71.96319	2.5
74.02322	4.1
81.03345	5.7
83.01257	7.4
85.02817	4.6
86.53402	3.1
93.03329	3.7
95.01263	9.6
95.04909	4.8
97.02842	13.0
99.00755	18.0
99.04423	2.9
99.05511	3.1
101.73994	3.0
109.02817	32.7
110.42796	3.0
111.00761	26.3
111.04403	3.4
113.02312	4.1
121.02824	6.9
123.00757	11.2
123.04396	14.9
124.01503	4.5
125.02335	45.4
128.03427	9.6
129.52118	2.6
133.02850	3.0
135.04399	6.6
137.02321	34.5
138.03049	3.3
139.00253	25.1
139.03900	10.5
140.01001	5.3
141.01802	6.6
143.04543	15.2
146.04556	3.6
149.02342	9.5
151.03894	9.4
159.04436	7.7
161.02328	27.1
161.05977	4.0
162.03082	9.0
163.03860	5.3
164.01172	5.8
165.01823	13.3
165.05466	3.7
167.03389	13.4
175.03925	4.5
177.05440	8.3
179.03325	5.4
181.04976	5.9
203.03477	7.0
205.04895	4.4
215.57616	2.7
217.05136	2.8
219.06572	11.1
222.90561	3.7
243.06624	4.5
259.06094	3.2
261.07718	4.5
272.08896	4.3
273.13336	2.8
287.05624	17.2
294.19070	3.4
305.06641	100.0
306.07196	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	77.7
71.01239	39.3
71.51454	19.1
72.99175	45.6
75.00742	18.9
85.02779	13.0
89.02320	46.1
97.06451	20.4
99.00732	16.1
112.98640	12.5
117.01793	18.0
125.02305	13.8
125.05952	12.5
131.30960	10.1
135.02849	18.1
139.07526	16.1
142.77094	10.9
142.99805	63.9
148.26224	14.2
149.05946	27.7
153.05441	15.3
156.59290	13.5
167.07076	22.2
167.10735	11.6
168.31609	11.6
173.00821	24.0
174.01604	34.6
181.08669	16.2
185.11745	100.0
193.04951	19.6
199.13510	13.5
208.19203	11.1
213.07788	16.0
213.11098	17.1
225.07674	23.9
228.26115	13.2
252.25423	12.5
303.14285	24.1
303.21756	29.1
316.94708	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61054	0.3
54.11754	0.3
57.03330	0.3
59.01237	1.3
60.75188	0.3
65.47588	0.3
66.90894	0.2
70.81371	0.5
70.81712	0.5
71.01257	0.3
89.02361	0.4
91.03890	1.3
101.55461	0.3
105.71189	0.3
109.02870	0.5
123.00793	0.8
125.02323	0.4
138.03133	0.5
152.74803	0.3
153.01929	0.5
165.12785	3.0
167.14189	0.3
181.01292	0.3
183.13831	100.0
184.14168	5.6
199.13269	0.3
209.11812	2.1
217.07214	0.4
227.12831	5.9
237.18587	0.4
258.01724	2.2
272.03348	0.6
273.04041	0.7
301.03497	5.3
301.11145	0.5
301.16589	9.5
301.20224	5.3
302.03857	0.8
302.16946	0.7
302.20428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01242	1.1
69.37461	2.5
69.80540	0.3
82.53791	0.3
89.02339	0.4
91.03884	0.6
98.19835	0.5
109.02839	0.4
123.00763	0.8
138.03090	0.7
149.82170	0.3
153.01823	0.4
165.12761	2.9
181.01300	0.3
183.13834	100.0
184.14189	5.0
209.11784	2.0
227.12822	5.2
237.18549	0.8
258.01758	2.0
272.03262	0.5
273.04141	0.6
301.03439	5.4
301.06485	0.5
301.10880	0.6
301.16592	9.1
301.20248	2.7
302.03952	0.5
302.16986	0.9
302.20331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.25558	0.4
55.38771	0.4
60.97380	0.7
64.71275	0.4
69.63326	0.4
70.03291	0.4
71.08791	0.9
74.98958	0.9
80.01463	0.4
103.19495	0.4
118.96181	0.8
134.99306	4.6
136.97214	1.7
143.05200	0.5
150.98790	0.5
159.08394	1.5
161.06323	4.5
203.05684	2.9
205.03528	0.6
215.05600	0.9
217.07173	71.8
218.07309	4.6
261.06235	0.4
283.64084	0.4
285.13489	32.1
286.13660	2.6
301.16614	100.0
302.16751	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03314	2.0
59.01227	1.6
68.95446	0.5
69.37828	1.3
69.38223	4.3
71.04887	0.9
78.95770	0.5
81.03362	0.7
83.04900	0.8
99.00713	0.6
102.10189	0.6
109.02811	1.1
111.08040	1.1
113.09618	0.8
123.00753	1.4
125.02355	1.0
127.11169	1.9
138.03099	1.0
140.02516	0.5
141.12723	1.2
153.01826	1.1
158.28479	0.5
179.49301	0.6
181.01357	1.4
183.13805	0.7
209.11769	2.4
211.20523	0.8
217.07269	0.6
221.19063	28.7
222.19412	2.1
227.13005	1.0
237.18565	1.4
239.20125	3.9
246.75027	0.6
247.94359	0.6
257.21280	1.3
258.01636	3.6
259.02148	1.1
265.18073	18.4
266.18405	1.6
272.03131	1.0
273.04004	0.7
283.19156	21.2
284.19455	1.3
301.00049	0.5
301.03415	10.4
301.20206	100.0
302.03793	0.8
302.20602	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.42865	0.4
57.89797	0.4
59.01254	0.8
70.35775	1.3
80.89484	0.4
83.39441	0.4
86.44616	0.3
93.03330	0.5
95.01287	0.8
108.02042	1.2
109.02840	4.9
121.02826	0.6
123.00782	0.9
125.02348	0.5
133.02840	0.4
138.03189	0.5
138.05542	0.4
143.04813	0.6
145.02800	0.7
145.06422	0.5
149.02393	0.5
151.00273	0.9
151.03922	0.4
157.06473	1.8
159.04448	2.5
161.02353	0.4
163.00270	1.3
165.01904	0.4
171.04474	0.5
173.06035	1.2
174.03223	0.9
181.01381	0.4
183.04416	0.9
185.06015	3.4
186.03168	0.8
187.03954	2.7
190.99811	0.9
199.03897	0.5
201.05450	3.3
205.60495	0.4
209.11653	0.6
211.04042	1.4
212.04695	0.9
213.01840	0.5
213.05450	0.8
214.02591	0.6
215.03404	0.7
217.04979	0.7
218.45184	0.5
227.03500	2.1
227.12866	0.5
228.04184	1.6
229.01376	0.5
229.05034	3.1
230.02089	1.3
240.04247	1.2
242.02168	2.9
243.02904	1.5
244.03632	0.5
255.02946	1.2
256.03757	2.3
257.04529	100.0
258.01669	25.6
258.04834	6.5
259.02054	1.6
265.23471	0.4
271.02484	5.0
272.03207	6.9
273.04007	6.1
283.02484	0.5
301.03519	71.9
302.03864	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	301.0346
Annotation	Morin
Peak:m/z	Relative Intensity
53.31763	0.1
54.07198	0.1
57.48487	0.1
59.01249	0.1
60.93901	0.1
69.32861	1.0
79.01782	0.1
81.03344	0.1
84.71036	0.1
95.01283	0.4
107.01304	0.3
108.02046	1.3
109.02839	5.8
110.03201	0.1
111.65633	0.1
119.01305	0.2
121.02842	0.2
123.00784	0.3
124.01566	0.3
125.02322	0.8
133.02852	0.1
135.00801	0.6
136.01595	0.2
137.02350	0.4
143.04906	0.1
145.02901	0.2
145.06555	0.1
147.04469	0.1
149.02356	0.3
151.00237	0.5
153.01845	0.3
155.04898	0.1
157.06458	0.2
158.03648	0.3
159.04427	0.3
161.02357	0.3
161.06003	0.1
163.00279	1.8
164.01166	0.5
165.01917	0.5
167.04990	0.1
169.01311	0.1
170.03642	0.2
172.05219	0.1
173.02370	0.2
173.06012	0.3
174.03171	0.8
175.03862	0.2
177.01904	0.2
177.05527	0.1
181.01379	0.3
183.04436	0.5
185.02371	0.2
185.06036	0.6
186.03148	0.5
187.03902	0.1
188.04703	0.1
189.01842	0.3
190.02786	0.1
190.99797	0.9
191.03424	0.3
192.00499	0.3
199.03938	0.4
200.04732	0.1
201.01865	0.2
201.05493	1.0
202.02702	0.5
202.99809	0.1
203.03514	0.1
211.03966	0.4
212.04773	0.1
213.01865	0.8
214.02625	0.7
215.03444	0.4
216.04242	0.2
217.01404	0.4
217.05031	0.8
226.02702	0.1
227.03470	2.0
228.04109	0.5
229.01416	0.8
229.05006	1.4
230.02158	1.8
231.02885	0.2
242.02008	0.1
243.02945	1.8
244.03783	0.5
245.04469	1.0
255.02963	1.8
256.03619	0.6
257.01089	0.2
257.04578	0.7
258.01678	31.4
259.02020	1.9
271.02481	5.3
272.03247	9.8
273.04013	9.5
273.07214	0.1
274.04416	0.5
283.02509	0.8
301.03516	100.0
302.03870	7.1
304.02264	0.2
324.73877	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	301.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76234	0.8
59.01254	7.1
63.02268	6.9
65.00195	10.3
69.47752	4.6
83.01261	6.8
84.69289	0.8
85.02847	1.0
91.84644	0.8
93.03318	3.4
93.03854	0.9
95.01251	1.5
107.01266	15.9
108.02087	0.9
109.02834	11.2
121.02837	15.3
123.00710	1.2
123.04395	1.4
125.02322	3.7
133.02847	1.3
135.00804	1.2
137.02373	1.0
138.03085	0.9
139.03883	2.4
145.58118	0.8
149.02339	3.6
151.00281	42.5
152.00633	1.2
153.01830	3.2
159.04398	1.8
161.02415	1.6
163.00327	4.7
163.03781	1.0
164.01027	1.8
169.01315	3.7
171.04466	0.9
175.03969	1.1
178.99773	16.3
181.01331	2.5
183.04399	1.5
185.06010	1.0
186.03166	0.9
187.03957	1.6
193.01320	1.3
197.11726	2.1
199.03876	1.1
199.09612	1.6
201.05522	1.8
204.74385	0.9
209.11775	1.1
210.07764	1.1
211.03975	2.1
213.01846	0.8
215.07137	1.7
227.03462	2.0
229.04959	2.4
239.03429	1.0
241.10791	1.8
243.02829	1.6
245.04524	5.3
255.03000	5.3
256.03513	1.1
258.01672	12.1
259.11847	2.4
271.02484	2.7
272.03210	5.0
273.03864	4.1
283.02438	2.9
301.03497	100.0
301.16824	1.5
302.03857	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01249	12.1
64.35139	0.5
69.45258	2.2
69.45667	1.9
71.01259	8.1
71.85861	0.5
73.02815	0.9
79.01782	0.6
85.02821	1.9
89.02312	8.1
98.19804	1.0
101.02328	4.7
113.02318	3.5
116.33376	0.5
119.03371	3.0
135.04430	0.7
135.06509	2.6
139.00281	0.7
139.11153	0.7
141.12700	1.5
143.03369	0.7
153.57962	0.7
155.10678	12.5
156.11157	0.6
161.04449	2.1
171.10184	1.2
179.05544	1.4
183.01143	2.5
232.89209	0.6
237.09756	0.6
251.23706	0.8
279.20456	1.1
279.23285	12.8
280.23605	0.9
295.22705	0.9
297.11731	6.4
297.15289	4.6
297.24338	100.0
298.24655	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01244	1.5
61.90516	1.6
65.55003	1.0
69.86600	4.0
71.01254	2.5
82.81390	1.1
93.03333	54.7
94.03651	1.5
101.02287	2.5
117.03371	2.8
119.04909	1.4
126.42690	1.1
137.02344	100.0
138.02687	3.2
138.05479	4.3
145.02850	17.1
217.98230	1.3
231.66718	1.3
282.51221	1.2
299.07883	1.5
299.16501	24.6
299.25668	1.3
300.16895	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	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87790	0.5
55.88046	0.5
57.03325	1.3
58.00465	1.1
59.00953	1.0
59.01249	21.1
69.03319	2.5
70.81909	1.2
71.01253	10.8
71.04894	1.2
72.99152	1.1
73.02808	1.4
79.01776	0.6
83.01276	1.1
83.04884	0.8
85.02828	3.2
87.00768	0.5
88.40496	0.6
89.02322	14.0
91.03886	1.0
99.00728	0.5
101.02322	7.2
107.45889	0.5
109.06445	0.6
111.08068	0.6
113.02327	4.6
119.03396	5.1
125.09607	0.6
128.72411	0.5
131.03415	0.5
135.04445	0.5
135.06532	4.8
143.03378	0.6
149.09610	0.6
161.04456	2.1
161.76894	0.5
167.10722	4.1
177.12814	0.8
179.05522	2.2
179.10689	1.2
179.14369	3.4
193.04849	0.7
195.13855	11.2
205.12279	11.4
206.12497	0.6
211.09604	0.8
223.13354	100.0
224.13715	5.4
297.11819	9.1
297.17139	1.9
297.20840	0.7
297.24277	7.4
298.12122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87221	0.5
57.03315	1.1
58.00460	0.6
59.01250	14.2
60.06187	0.5
69.03338	2.4
70.29821	0.4
71.01252	7.8
71.04890	1.2
72.99167	0.6
73.02817	0.9
73.10957	0.4
85.02830	2.3
85.06480	0.6
89.02319	8.7
89.12893	0.4
91.03870	0.8
93.51209	0.5
98.19726	0.7
101.02324	4.7
109.06482	0.8
113.02343	3.0
119.03392	3.3
125.09554	0.7
133.10150	0.5
135.06572	3.5
149.05922	0.5
149.09612	0.9
161.04475	2.1
167.10669	3.8
177.12773	0.8
179.05550	1.9
179.10735	0.9
179.14366	4.9
180.14572	0.8
185.31012	0.6
195.13853	10.8
196.14035	0.7
205.12289	10.8
209.48868	0.6
213.26208	0.5
223.13356	100.0
224.13690	5.7
245.77631	0.5
248.78786	0.5
278.97870	0.5
286.84344	0.5
297.11865	6.3
297.17130	1.8
297.24338	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31084	0.4
56.77197	0.4
57.03304	0.6
59.01249	3.6
62.30424	0.4
62.35832	0.4
71.01257	1.3
83.04914	0.6
93.16047	0.4
98.20576	1.2
99.08076	0.6
101.02383	0.6
108.71313	0.4
110.72234	0.5
113.02296	0.4
113.09611	2.6
133.05006	0.6
159.87909	0.4
179.14389	1.1
181.12225	0.6
183.13878	3.3
195.13844	27.8
196.14160	1.3
211.81711	0.4
233.22649	0.5
277.21725	24.5
278.22076	1.8
291.74280	0.5
295.22775	100.0
296.23111	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03327	1.1
59.01255	2.6
69.57443	0.4
69.57853	1.0
71.01257	0.4
83.04880	0.4
89.02305	0.2
93.68070	0.2
97.06477	0.2
99.08038	0.4
101.02334	0.3
113.02323	0.3
113.09612	2.6
117.56696	0.2
130.09177	0.2
132.60461	0.2
133.04964	0.3
177.12778	0.5
179.14314	1.2
181.12231	0.6
195.13850	18.5
196.14214	0.9
200.50899	0.2
233.22774	0.4
251.23799	0.5
277.21722	17.7
278.21960	1.2
295.22778	100.0
296.23105	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03318	0.9
57.40561	0.3
59.01252	2.4
71.01268	0.5
83.04859	0.4
85.02793	0.3
89.02322	0.4
95.26940	0.3
97.06387	0.4
98.20638	0.9
100.17558	0.4
113.09615	2.9
133.04994	0.5
136.62056	0.3
161.04362	0.3
165.77069	0.3
166.48407	0.3
171.10204	0.9
177.12714	0.7
179.14320	0.9
181.12280	0.6
195.13850	19.4
196.14163	1.0
231.50645	0.3
237.17784	0.5
277.18130	4.4
277.21695	18.5
278.18875	0.3
278.22043	1.4
295.22769	100.0
296.23111	7.6
309.61584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.35218	0.3
59.01249	0.8
59.99078	0.3
68.60081	0.3
69.21355	3.6
73.25686	0.3
77.63914	0.4
86.63785	0.3
98.19849	0.9
99.07980	0.5
100.57690	0.4
111.35685	0.4
113.09605	1.6
114.11122	0.4
124.31325	0.3
179.14297	0.8
195.13837	14.6
196.14276	0.7
209.58643	0.4
228.66939	0.3
231.82935	0.4
272.13797	0.4
277.21701	15.2
278.22171	1.1
295.22763	100.0
296.23090	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22334	0.3
57.03310	0.8
59.01237	1.5
60.50082	0.2
60.95543	0.2
69.03307	0.7
69.47370	2.2
71.01241	0.8
79.43204	0.3
89.02330	0.4
97.06438	0.4
111.08032	0.7
113.09604	1.1
123.08041	0.4
139.11182	0.5
149.64360	0.3
151.11171	0.4
167.10710	0.3
177.12723	0.4
179.10742	0.3
179.14334	1.1
181.12306	0.6
193.15862	0.5
195.13846	11.3
196.14362	1.1
197.15181	0.3
205.12256	0.7
205.15891	0.6
211.13391	0.6
220.14503	0.3
221.15399	0.8
223.13354	8.7
224.13979	0.9
228.13640	1.1
231.21262	0.3
236.10510	0.8
249.22308	0.9
256.13141	3.5
261.56631	0.3
265.21677	0.8
267.90451	0.3
275.20139	7.1
276.20645	0.5
293.21216	100.0
294.21545	8.5
309.38943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	1.7
57.03336	1.5
59.01244	2.3
61.64726	1.3
68.44569	1.5
102.40681	1.5
109.06502	2.7
121.10114	39.2
122.10443	2.6
171.10175	66.3
171.11638	3.6
172.10512	1.9
177.36263	1.6
183.13840	19.3
185.11751	3.8
211.13429	3.5
220.91327	1.5
231.21107	5.4
235.17001	1.6
257.19412	1.7
275.20139	84.7
276.20462	7.6
293.21219	100.0
294.21381	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
98.20564	1.6
113.09583	0.8
149.55666	0.6
179.14273	1.0
195.13831	14.2
196.14555	1.3
205.12328	0.8
205.15912	0.7
211.13315	1.3
223.13336	12.3
224.13634	0.7
228.13576	0.9
231.21144	0.9
239.12714	0.7
256.13123	5.8
275.20160	8.2
285.35107	0.6
293.21228	100.0
294.21594	3.5
296.94629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.2
59.01244	2.2
71.00349	1.1
71.00668	1.0
97.06486	0.8
113.09601	17.7
139.11238	1.6
167.10675	1.6
177.12737	1.1
179.10703	1.8
195.13789	2.0
209.72133	0.8
236.38846	0.7
249.22208	3.6
275.20026	0.7
293.21216	100.0
294.21585	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
58.38412	0.6
69.31309	2.2
69.31735	2.4
80.50855	0.6
89.94833	0.6
96.39382	0.5
97.06452	1.1
110.08381	0.7
113.09597	1.1
123.08060	1.3
125.09648	4.4
138.99057	0.5
141.12743	1.1
149.09619	2.4
151.98077	0.6
181.97534	0.5
183.13797	0.8
185.11772	9.1
195.13766	0.7
197.11795	2.8
211.13086	0.7
223.13367	0.9
235.17030	0.7
249.22153	0.7
275.20129	1.6
293.21225	100.0
294.21567	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01249	4.9
61.98699	0.7
69.03336	0.7
71.01254	2.9
71.51756	0.6
73.02834	0.9
83.04885	0.6
85.02859	0.9
89.02322	1.9
91.78151	0.5
97.02877	0.6
97.06428	0.7
101.02316	0.6
113.02337	0.8
113.09615	1.3
121.10180	0.5
123.08061	0.6
127.06480	0.5
131.03407	1.0
139.11174	1.3
143.03355	0.6
151.11151	2.7
153.12717	0.6
161.04454	1.8
169.12250	1.4
177.09064	0.8
177.12843	0.6
185.11841	0.6
192.11461	0.5
193.15904	0.9
195.13844	1.4
197.11765	16.1
198.12047	0.6
205.12379	0.6
220.14641	2.0
221.01041	0.5
221.15434	3.5
223.13275	0.6
231.21255	1.0
235.17311	0.5
236.10483	2.6
249.00458	0.7
249.14951	0.5
249.18513	0.7
249.22165	2.8
275.20148	12.8
276.20642	1.1
293.08850	3.7
293.21225	100.0
294.21582	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2273
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.09930	0.3
54.23432	0.4
57.03331	1.4
59.01252	5.7
71.01254	2.2
73.02817	0.7
81.27157	0.3
83.04874	0.6
85.02805	1.0
89.02319	0.7
92.83111	0.3
97.06484	0.5
97.33189	0.3
99.08019	0.5
99.09500	0.3
101.02296	1.1
113.02332	0.4
113.09054	0.3
113.09629	2.8
120.92462	0.3
127.07581	0.4
133.04974	1.3
161.04454	0.7
177.12651	0.7
179.14273	0.9
181.12245	0.8
195.13840	18.0
196.14157	0.8
211.05435	0.4
211.13345	0.5
221.15456	0.4
233.18974	0.8
253.09308	0.7
267.19550	0.3
277.18097	5.2
277.21674	16.7
278.18478	0.5
278.21896	1.0
295.19138	9.7
295.22729	100.0
296.19699	0.7
296.23080	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	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03308	0.7
59.01251	6.5
63.82585	0.4
65.20846	0.4
68.16368	0.3
69.03358	0.5
70.26163	1.4
71.01258	2.2
83.04906	0.6
89.02328	0.6
93.01572	0.4
96.18282	0.4
101.02332	1.5
113.02277	0.5
113.09599	1.5
133.04968	0.9
161.04514	0.5
171.10144	2.3
177.12746	1.0
179.14285	0.5
195.13844	36.9
196.14189	2.3
209.15398	0.9
214.35718	0.4
224.56541	0.5
233.22633	0.5
259.20578	0.5
277.21716	39.0
278.21997	3.7
295.22778	100.0
296.23151	9.0
298.93759	0.4
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	13-OxoODE
Peak:m/z	Relative Intensity
57.03324	1.9
59.01239	1.3
59.24149	0.4
65.95345	0.3
69.81422	1.6
71.01242	0.6
78.95775	0.5
89.02297	0.7
97.05898	0.4
97.06465	1.2
98.19932	0.4
99.22714	0.3
113.09586	1.4
121.17583	0.3
122.10464	0.3
123.08022	1.1
125.09618	4.0
141.12746	1.2
149.09651	1.8
156.13838	1.3
157.14232	1.4
185.11755	10.0
186.12099	0.4
195.13828	0.4
197.11775	2.6
211.13757	0.4
220.14590	0.7
221.00815	0.3
221.15443	1.0
236.10498	0.9
249.22197	0.9
275.20319	0.7
293.21210	100.0
294.21521	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
59.01252	1.7
69.03309	0.3
69.70702	1.2
71.01247	0.9
71.04902	0.3
83.04916	0.3
85.02844	0.2
85.06461	0.2
87.60098	0.2
89.02306	0.4
89.12824	0.2
95.04897	0.3
97.06503	0.3
97.94610	0.2
98.20519	0.3
109.06452	0.3
111.08018	0.9
113.09612	1.4
125.09607	0.3
136.08861	0.4
139.11143	0.3
161.04425	0.4
163.11168	0.6
165.12730	0.3
167.10727	0.5
167.14319	0.2
169.12289	0.3
177.12724	0.4
179.10660	0.2
179.14301	1.2
181.12163	0.5
193.15910	1.3
195.13847	13.1
196.14299	1.3
205.12309	1.0
205.15950	0.6
211.13322	0.8
220.14630	0.4
221.15399	1.0
223.13354	9.9
224.13812	0.8
228.13602	1.3
231.21107	0.7
235.16931	0.3
236.10448	0.7
239.12953	0.4
249.18422	0.2
249.22208	1.0
256.13113	3.1
257.13364	0.2
265.21677	0.6
273.65195	0.2
275.20151	6.7
276.20502	0.9
293.21225	100.0
294.21539	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03319	0.4
59.01236	1.5
62.71183	0.4
69.03316	0.7
69.19350	0.3
71.01250	0.5
71.39051	0.5
73.10903	0.3
86.30154	0.4
92.47319	0.4
97.06423	0.4
111.07959	0.8
113.09624	0.9
141.09166	0.5
154.59795	0.3
167.10620	0.6
179.14342	1.8
179.55086	0.3
181.12195	0.4
195.12038	0.7
195.13828	15.0
196.14311	1.9
205.12292	1.0
205.15913	1.0
211.13228	0.4
223.13353	9.9
224.13855	0.7
228.13634	1.2
231.21223	0.5
249.22279	0.5
256.13168	4.2
265.21713	0.7
275.17087	0.5
275.20148	7.4
293.21213	100.0
294.21555	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	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03316	2.0
59.01250	5.3
71.01263	3.6
71.04865	0.8
72.99177	0.9
73.02839	1.0
81.93906	0.6
85.02825	1.8
87.00752	0.6
89.02300	3.8
90.95518	0.6
97.02837	1.2
97.06455	0.8
101.02321	1.0
111.08024	1.0
113.09605	4.4
121.10095	2.0
125.02319	1.0
133.11258	0.7
144.41399	0.7
151.89470	0.7
161.04442	2.8
167.10645	1.0
168.38644	0.6
171.10135	4.8
172.96594	0.7
179.14418	1.4
195.13831	10.4
205.12251	0.7
205.15950	1.2
211.13289	1.1
221.15479	1.5
223.13327	6.4
224.13824	0.7
229.56326	0.8
249.22173	1.1
256.13104	1.8
275.20163	10.5
293.08786	5.2
293.21222	100.0
294.21591	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75483	0.2
54.11542	0.2
59.01251	0.8
71.01254	7.7
71.32275	0.5
104.65756	0.3
109.05405	0.3
127.07527	0.9
148.05173	1.2
149.05952	0.3
151.07559	0.5
153.87811	0.3
161.04495	0.3
164.08324	1.6
177.09125	5.7
190.09766	0.4
192.11478	7.3
193.12042	0.9
195.13902	0.8
205.12274	7.2
206.12628	0.4
207.13898	1.5
217.08717	0.8
218.09436	2.2
220.14635	50.9
221.15407	100.0
222.15756	7.4
223.13324	0.5
235.13370	1.2
236.10501	70.2
237.10876	4.9
275.19998	0.4
293.17603	7.5
293.21185	6.4
294.17883	0.4
294.21454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.71606	1.0
55.01751	2.6
58.00474	5.0
59.01250	77.4
61.98732	0.9
62.77799	0.8
64.19695	0.9
64.22427	1.0
69.03319	10.4
69.36835	7.8
71.01253	93.2
72.01563	1.3
72.99178	6.0
73.02817	10.7
75.00730	3.4
81.03329	6.9
81.07574	0.9
83.01266	6.2
85.02833	8.0
87.00750	1.6
89.02316	100.0
90.02646	2.3
95.01267	4.6
97.02822	13.0
97.56564	0.8
99.00760	13.1
99.04395	2.0
101.02319	14.2
103.53825	1.2
109.72082	1.1
111.00763	1.6
113.02343	6.5
115.03901	6.0
117.35968	1.3
119.03401	1.6
125.02337	36.3
126.02664	1.2
131.03383	6.5
143.03384	4.4
149.04442	4.0
161.04424	2.5
173.04439	1.1
185.87341	0.9
191.05527	2.8
205.80006	1.1
233.04434	1.3
233.06621	15.7
293.08734	5.7
293.21103	1.6
294.09210	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	14.7
59.01249	5.0
64.42928	0.6
64.55630	0.5
67.01746	0.8
69.03335	0.9
71.04871	0.8
83.04890	0.9
86.00829	0.6
96.75760	0.6
97.06482	0.7
98.19786	1.5
98.91851	0.6
109.06464	2.3
121.10126	1.0
123.08085	0.6
125.09632	9.6
127.07489	0.9
142.76393	0.6
151.11176	3.5
153.09213	1.3
163.11157	2.7
165.09152	1.5
165.12767	0.8
179.14270	1.2
181.12241	2.4
247.20625	4.6
252.11786	0.6
273.18658	2.1
291.09091	1.7
291.19672	100.0
292.20050	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76208	0.6
55.84874	0.5
64.04987	0.5
69.80390	2.8
73.02821	49.3
73.50435	0.5
74.00018	0.5
98.20528	1.0
99.00745	1.2
106.32917	0.6
140.92517	0.6
249.82944	0.6
273.18613	0.9
291.19666	100.0
292.20001	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
78.70103	0.7
111.36143	0.7
117.81945	0.6
144.85069	0.6
148.08864	1.3
150.10378	0.8
165.12752	19.2
166.13045	1.1
233.02641	0.7
247.20653	10.1
273.18613	4.6
285.90250	0.7
291.19653	100.0
292.19962	8.1
293.33313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21972	0.5
56.00746	0.5
57.03335	2.6
59.01238	1.7
66.80110	0.5
71.00446	1.4
83.04892	1.4
88.17237	0.6
93.06985	0.8
94.72599	0.5
97.06454	1.9
111.08040	2.6
121.10113	8.5
123.07977	0.7
125.09621	8.2
127.11150	1.1
127.82265	0.7
153.12759	0.7
154.41425	0.6
163.11130	0.7
165.12773	1.4
177.12834	0.7
185.11740	9.3
185.13240	0.8
185.18304	0.5
195.13850	2.3
197.11757	1.7
211.13347	0.9
223.13350	1.1
247.20740	3.6
255.17532	0.5
263.20203	1.1
273.18588	3.5
291.19656	100.0
292.19965	8.7
314.59253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01220	0.4
57.03329	2.4
58.47114	0.3
59.01250	2.7
66.22612	0.4
67.01778	0.4
69.03288	0.4
70.23601	0.4
80.54134	0.3
83.04867	1.0
88.71039	0.4
93.03321	0.6
95.04903	1.3
98.19785	1.1
106.28227	0.4
109.06458	0.4
111.08051	12.4
112.08359	0.6
113.09578	0.6
126.03477	0.4
137.09653	0.8
149.09608	0.7
156.48070	0.5
163.04863	0.5
165.12717	0.4
167.10689	2.3
169.12315	0.7
177.12833	2.7
179.10712	1.6
195.13823	7.5
203.14381	0.6
229.40788	0.6
247.20685	2.4
273.18558	1.7
291.19662	100.0
292.20001	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01226	0.6
65.03814	0.3
71.43924	0.3
81.03340	0.9
83.01241	0.4
92.04927	0.9
93.03329	1.4
93.49007	0.3
99.92467	0.6
104.78664	0.3
107.03671	0.5
108.02058	0.7
108.04414	4.0
109.02838	4.6
121.02869	0.5
134.02376	41.8
135.03212	6.9
136.03941	38.6
137.02332	1.5
137.04253	1.0
148.03941	1.2
149.04749	1.5
176.03459	4.8
177.04126	0.6
181.03748	0.8
190.05032	0.7
204.06664	0.4
245.19133	0.5
288.16052	100.0
289.02432	0.5
289.16110	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03321	6.7
69.03348	2.3
69.48816	11.1
72.08386	1.7
79.37309	1.5
81.03329	9.7
83.01267	6.6
93.03339	2.6
95.04897	12.9
97.02837	19.7
108.02071	2.1
109.02832	67.7
121.02866	7.6
121.03894	1.3
122.03600	5.0
123.04408	45.6
125.02334	40.7
135.04414	5.4
137.02344	22.6
138.03143	2.3
139.03920	8.7
145.02893	2.4
149.02379	10.8
150.03094	3.4
151.03917	23.4
159.04439	7.0
160.05241	4.7
161.02406	2.1
161.05986	12.6
162.03104	4.4
163.03931	2.7
164.01048	11.4
165.01834	8.9
167.03380	4.9
173.06036	1.9
175.03986	7.4
175.07558	4.2
179.03412	14.9
185.06030	2.2
187.03935	10.8
188.04747	10.0
195.80180	1.6
197.06013	1.5
199.07574	2.0
202.06268	8.0
203.07036	31.8
203.08867	2.0
205.04988	19.2
212.04744	3.0
217.08711	1.9
221.08142	8.9
227.07079	6.6
230.05669	1.9
245.08173	45.4
246.08459	3.1
271.06073	2.3
289.07190	100.0
290.07544	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
53.01495	0.3
53.20036	0.3
69.95320	1.8
74.43925	0.4
85.49574	0.4
99.08038	1.4
103.95263	0.4
123.78877	0.4
129.09073	0.8
141.12770	2.3
155.14349	0.6
234.59187	0.4
239.20245	0.5
241.21623	1.1
241.80849	0.4
269.21194	3.2
285.20615	1.4
287.22272	100.0
288.22662	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	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18346	0.7
57.03305	1.6
59.01241	2.8
69.60195	1.8
69.60603	3.5
78.99687	0.8
80.43531	0.9
85.02860	0.7
89.02313	1.0
91.03927	1.4
97.02823	1.0
97.06473	2.4
98.19884	1.1
121.02851	1.2
125.02333	1.4
137.02327	1.5
137.27301	0.8
144.66237	0.7
151.11197	14.8
152.11555	0.8
169.12251	100.0
170.12587	4.4
195.10222	5.1
213.11278	20.6
214.11560	1.0
285.00262	0.9
287.14987	19.2
287.22192	1.2
288.15308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88251	0.5
57.03317	1.1
59.01247	4.0
68.70680	0.5
69.03323	0.6
71.01265	0.6
78.17120	0.5
83.01288	0.6
83.04867	0.9
89.02317	0.6
91.03882	1.8
91.17467	0.5
91.92958	0.5
92.10597	0.5
97.01637	0.6
97.06470	2.4
109.02827	0.7
109.46427	0.5
112.44879	0.5
124.07594	1.5
125.02334	1.5
131.68698	0.6
137.02371	1.0
151.11192	14.0
152.11577	0.8
165.12775	1.0
169.12256	100.0
170.12610	4.2
183.13847	3.8
195.10185	5.3
199.13312	1.1
210.57147	0.5
213.09218	1.1
213.11259	18.8
213.13246	1.0
214.11594	1.3
227.12898	2.1
243.06660	0.6
245.13995	3.5
287.15002	21.7
287.22223	9.2
288.15317	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77361	0.5
59.01234	1.4
69.03323	0.7
71.52284	0.8
107.55905	0.5
109.44380	0.5
123.04434	0.7
129.02943	0.5
167.10754	0.5
167.14297	0.8
179.03445	0.8
183.13843	6.6
193.12270	2.3
211.13342	100.0
212.13673	6.5
284.26904	1.2
285.04095	1.1
285.07187	0.5
285.17438	0.8
285.20734	2.2
285.27115	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	287.0563
Annotation	3,5,7,2'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.01755	0.3
65.00199	6.3
67.01760	0.6
68.64281	0.2
68.99683	0.8
69.03334	2.0
69.30373	0.2
70.00451	0.2
72.03265	0.2
77.03842	1.5
79.01765	4.2
81.03329	6.5
83.01261	4.8
88.16319	0.2
93.03339	15.7
94.03683	0.3
95.01267	1.4
95.04927	1.4
96.35027	0.2
97.02831	8.2
98.03158	0.3
99.04399	0.8
105.03343	2.2
107.01270	3.3
108.02071	0.4
109.02859	0.4
117.03349	14.7
118.03693	0.7
121.02847	7.1
122.03152	0.3
123.00768	2.5
123.04416	2.8
125.02340	22.5
126.02653	0.5
130.04129	0.5
131.04948	0.4
133.06415	0.2
134.19002	0.2
135.04425	6.1
136.04787	0.2
137.02356	3.0
139.03896	0.9
141.01831	0.3
143.04947	0.5
145.06511	0.6
147.00699	0.3
149.02354	6.3
150.02689	0.3
151.00255	0.9
156.05702	0.9
157.06488	1.2
158.03665	0.9
159.04422	4.1
161.02353	12.3
162.02708	0.6
163.00247	0.3
164.01035	0.8
165.01848	7.3
166.02176	0.4
167.03412	8.9
168.03786	0.4
170.07262	0.8
171.04460	1.1
171.08028	1.7
172.05229	0.4
173.05995	2.0
174.06239	0.2
177.05470	0.8
183.02910	0.2
183.04456	0.3
185.05974	0.3
187.07600	0.6
190.99690	0.3
193.01363	20.3
194.01723	0.8
197.06009	0.6
199.03886	0.6
199.07544	0.7
200.04756	2.0
201.05515	4.6
202.05862	0.2
203.03415	1.1
211.02458	1.3
215.03665	0.2
215.07085	4.6
216.04280	0.2
216.07332	0.4
217.04973	0.7
219.06583	2.5
225.05522	0.6
241.04985	0.2
243.02879	0.6
243.06587	4.4
244.03728	0.3
244.06882	0.3
245.04434	0.8
259.06100	3.8
260.06436	0.3
269.04382	0.3
287.05609	100.0
288.05923	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22537	0.6
54.81838	0.6
55.90593	0.7
58.21028	0.6
59.01246	2.5
61.99617	0.6
69.51203	4.9
79.90413	0.6
98.19802	1.2
103.46546	0.6
104.30901	0.6
104.94235	0.6
116.80268	0.6
125.09596	0.8
139.41962	0.7
162.66815	0.6
167.10632	0.6
167.14293	0.9
168.14676	0.7
183.13818	6.3
193.12259	2.1
211.13348	100.0
212.13707	6.1
284.26740	1.3
285.03989	1.3
285.07645	0.9
285.16714	0.7
285.20847	1.1
285.27069	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	285.0398
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.01246	2.1
61.98704	0.4
62.44358	0.3
63.02271	1.4
63.71324	0.3
65.00181	0.8
69.47152	1.9
69.47562	0.5
80.61140	0.3
83.01266	1.1
91.01759	0.9
93.03331	4.7
95.01262	0.5
98.62318	0.3
107.01268	3.4
108.02059	0.4
109.02843	1.8
117.03349	2.2
119.01236	0.4
123.00748	0.4
123.04411	0.7
129.03334	0.4
129.06995	0.4
130.04147	0.6
131.04886	1.2
133.02925	0.4
135.00758	1.3
137.02345	0.8
141.07047	0.5
143.04921	2.9
143.27031	0.3
145.02849	1.3
145.06541	0.4
147.04474	0.4
147.44461	0.3
151.00247	1.7
153.01814	0.6
154.04129	1.1
155.04909	1.1
156.05664	0.7
157.06502	1.8
158.03593	0.5
159.04424	3.8
161.02415	0.6
163.00276	3.3
163.34859	0.3
164.01096	0.5
165.01810	0.7
167.04906	1.3
168.05673	0.3
169.01297	0.8
169.06453	1.4
171.04379	1.7
173.02330	1.1
183.04390	1.7
184.05211	0.6
185.02328	0.3
185.06012	4.9
187.03934	6.8
188.04189	0.3
189.05446	1.6
192.00522	0.4
195.04442	1.0
197.06055	1.6
197.15417	1.0
198.03107	0.6
199.03915	0.9
201.05490	1.1
211.03918	3.5
212.04639	0.7
213.05499	3.3
214.02623	0.9
215.03467	1.1
225.15030	0.5
226.02538	0.4
227.03514	3.6
228.03824	0.8
229.05023	16.4
230.05283	0.8
239.03455	2.3
240.04192	1.0
241.05031	2.7
243.02939	0.8
243.16019	5.3
255.02960	1.2
256.03461	1.7
257.04532	8.8
258.04727	0.6
267.02991	0.9
284.26782	3.6
285.04028	100.0
285.27023	0.5
286.04391	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.28011	0.4
58.23311	0.4
59.01249	1.5
62.15562	0.4
65.00206	0.5
71.01227	0.4
86.05541	0.4
87.66307	0.4
98.19746	0.9
107.04910	100.0
108.05264	2.7
124.99320	0.4
147.08022	0.6
148.06990	0.4
163.11198	99.2
164.11552	5.0
181.94081	0.4
264.00394	0.4
283.17041	88.5
283.26404	38.4
284.17358	8.1
284.26852	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	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.0
59.01251	20.9
59.19469	0.3
59.34436	0.4
61.98714	0.4
70.91582	0.8
71.01271	0.5
71.60177	0.4
73.02843	0.9
83.04901	5.5
83.05366	0.4
85.02886	0.4
89.02335	0.7
92.78452	0.3
97.06465	4.4
103.37794	0.3
123.08080	0.8
137.09586	2.0
139.11244	1.0
149.09639	1.4
151.11235	0.6
163.11209	7.4
165.12794	1.5
167.14273	0.8
177.12822	1.0
179.10727	0.5
179.14307	3.5
180.14557	0.4
195.13849	19.4
196.14201	1.1
223.13365	17.6
224.13680	1.4
239.12883	0.5
241.14438	100.0
242.14745	6.0
243.41341	0.3
255.02925	0.4
283.02533	2.4
283.10016	0.5
283.15543	4.5
283.26431	27.8
284.03079	0.5
284.15765	0.6
284.26770	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.34671	0.1
59.01253	0.8
70.54571	0.2
70.99858	0.3
71.01244	0.2
71.43065	0.1
72.71636	0.1
83.04906	0.1
87.41100	0.2
162.93375	0.2
219.03023	0.1
261.22238	0.6
279.23288	100.0
280.23645	9.3
280.26804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.04214	0.3
59.01247	0.7
62.52535	0.3
69.08728	0.3
70.66877	0.5
70.67215	0.5
72.54507	0.3
144.71176	0.3
158.02103	0.3
199.82726	0.3
210.13866	0.4
261.22150	0.9
273.42578	0.4
279.23276	100.0
280.23618	12.3
280.26740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29292	0.3
55.10539	0.3
57.03329	8.1
59.01252	19.1
71.00730	0.7
71.01247	1.1
71.97227	0.3
72.97160	0.3
101.02381	0.4
114.20793	0.4
119.08550	5.9
121.06443	2.0
137.09624	34.4
138.09975	1.8
143.99289	0.3
148.46451	0.4
149.09709	0.8
151.11148	0.6
159.81061	0.4
161.09608	2.1
167.14392	0.3
175.11206	0.4
177.01759	0.3
177.12752	5.7
178.13051	0.7
179.41354	0.4
184.10043	0.3
193.12251	0.5
196.06117	0.5
221.11787	6.1
222.12193	0.6
239.12859	100.0
240.13177	6.8
281.14069	5.2
281.24701	1.3
282.14227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.33400	0.1
58.50175	0.1
59.01241	0.5
71.01259	0.2
71.23836	0.1
96.95893	0.6
98.19762	0.3
102.28822	0.1
127.98207	0.1
159.49855	0.1
178.25961	0.1
261.22308	0.4
279.23279	100.0
280.23633	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01233	0.6
59.03109	0.5
62.14201	0.5
70.96473	0.4
71.28866	0.7
71.29179	0.5
72.60433	0.5
72.98647	0.5
81.18032	0.6
198.38048	0.5
214.99794	0.5
219.32257	0.5
275.36536	0.7
277.21716	100.0
278.22076	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	279.1967
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.63988	0.7
59.01254	4.5
69.03314	1.0
71.01263	1.6
79.03082	0.6
79.92389	0.6
85.02805	0.7
97.06457	1.2
100.52809	0.7
125.72783	0.6
179.14357	1.7
195.13849	16.5
196.14331	1.4
205.12288	0.9
211.13344	0.8
217.19591	0.9
219.03021	1.3
220.52510	0.6
223.13364	12.0
228.13605	1.6
249.07504	0.7
251.20091	1.3
256.13229	4.4
261.18536	9.4
262.18829	0.8
268.95657	0.6
279.19617	100.0
279.23163	19.5
280.19980	7.4
280.23523	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.4
109.88455	0.4
117.16090	0.4
136.58977	0.4
182.82043	0.4
233.22789	0.7
259.20718	0.5
275.20166	0.8
277.21719	100.0
278.22052	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.0
69.38605	0.2
70.27940	0.7
71.01252	0.7
71.59236	0.2
72.77530	0.2
72.84760	0.2
76.31077	0.2
82.96704	0.2
124.82378	0.2
136.23405	0.3
233.22758	0.6
259.20587	0.6
275.20273	0.4
277.21707	100.0
278.19006	0.5
278.22052	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01237	0.3
70.96277	0.3
70.99892	0.6
97.92780	0.2
108.02027	0.5
109.02833	0.9
125.02364	0.7
152.85864	0.3
225.22192	4.2
226.22459	0.5
253.21785	1.8
253.24133	0.3
263.96246	0.3
269.21280	0.5
271.22781	100.0
272.23135	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
53.79692	0.8
59.01233	0.8
70.23628	2.3
78.95776	87.5
85.02839	1.1
87.00728	1.6
96.96838	4.8
100.02667	0.8
110.98413	67.2
111.69468	0.7
111.98737	0.7
125.00835	8.2
126.23857	0.8
126.98758	16.7
127.98880	1.4
129.66542	0.7
141.97485	0.8
151.56812	0.7
157.03583	0.9
168.99846	38.6
170.00026	4.0
183.01471	1.5
211.00966	1.3
241.01157	19.3
273.03799	100.0
274.04233	4.1
274.61154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19042	3.5
51.85769	4.0
57.03327	4.4
59.01248	15.0
64.53906	4.0
69.03337	4.3
69.27525	29.1
69.27926	11.3
71.01253	7.9
72.99186	9.1
83.01270	5.2
87.00760	5.4
87.04391	17.3
99.00771	13.2
100.88705	4.1
102.29025	3.9
107.04908	5.8
108.02054	31.8
109.02851	22.4
112.98716	8.2
125.02327	20.3
125.05988	11.0
127.07528	9.4
130.08665	5.2
137.05954	11.8
139.07536	4.9
142.99719	28.1
144.56036	4.0
149.05986	4.7
153.05518	15.3
155.07053	7.5
159.10201	11.7
167.07014	5.1
174.01604	100.0
185.16548	6.0
193.05006	10.8
195.45377	3.8
199.03902	4.3
211.06104	6.0
234.28633	4.3
243.03088	4.8
251.43880	4.2
271.02460	12.5
271.08340	7.5
271.16150	7.2
271.22812	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	271.0823
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
67.89980	0.3
70.21899	0.3
70.89093	0.5
70.89417	0.4
77.46761	0.3
86.54858	0.3
96.71251	0.3
100.54737	0.3
108.02045	1.3
109.02834	100.0
110.03170	3.0
110.06289	0.3
122.66055	0.3
125.02318	0.8
144.20374	0.4
174.01604	0.8
186.97636	0.4
188.67268	0.3
191.85609	0.3
230.30551	0.3
237.90956	0.3
244.71947	0.3
271.08292	1.4
271.22708	0.9
279.35504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Trichotriol
Peak:m/z	Relative Intensity
56.79220	0.9
57.03309	4.1
59.01249	8.7
65.00170	1.5
69.03321	8.1
69.16725	5.1
69.17150	4.6
71.01249	6.3
73.02817	4.2
83.01234	1.0
83.04902	2.9
85.02809	3.4
87.04390	1.1
89.02303	1.8
92.99689	1.0
95.04871	2.0
99.04372	3.3
101.02316	3.6
102.73173	1.0
105.05536	1.0
110.55598	0.9
113.02326	2.7
113.05983	1.4
119.03397	1.6
126.87161	1.0
135.08105	1.3
135.11691	3.2
137.09615	1.6
149.64851	1.1
153.09102	13.0
153.12773	1.1
161.04428	2.3
162.53448	0.9
166.04912	0.9
179.09103	2.1
179.10689	36.5
180.11119	1.7
193.38702	1.2
209.04465	1.1
211.70627	1.0
222.98647	1.5
223.13365	1.3
236.09656	1.0
248.96838	1.3
249.14865	6.1
267.15997	100.0
268.16336	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01596	2.3
67.05777	1.0
69.59515	6.5
155.00929	0.9
201.09106	5.8
219.10207	3.7
263.09253	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01247	2.8
69.87015	1.6
71.01251	1.2
99.00788	0.5
103.42802	0.3
106.66290	0.4
142.99771	0.8
176.98167	0.4
203.10049	0.3
219.21008	0.4
245.19130	0.4
261.18713	0.6
263.20145	100.0
264.20486	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
51.79667	0.8
59.01237	1.8
65.00172	0.8
67.83632	0.7
71.01238	1.2
71.08643	1.9
96.95888	10.7
134.04579	1.4
141.31625	0.8
177.01868	1.6
177.05560	0.8
178.99814	2.7
218.99194	1.1
221.00873	5.7
227.40956	0.8
246.99033	1.1
264.99936	3.4
265.14923	7.1
265.21719	100.0
266.22055	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	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.9
59.68019	1.1
64.08725	1.0
70.33798	4.3
71.01252	1.5
78.95776	2.3
107.04739	1.2
125.09568	1.5
127.11131	1.2
137.09637	7.0
155.10693	100.0
156.11005	6.0
171.10178	25.3
179.10733	1.6
197.11929	1.2
199.09694	35.1
200.10060	2.7
215.12868	3.1
217.10768	91.3
218.11113	4.7
226.65857	1.2
259.02408	2.1
259.09641	1.7
259.11823	10.9
260.11966	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.25642	17.5
71.01260	4.8
73.02780	2.8
80.51879	1.7
85.02816	4.2
86.47823	1.8
89.08889	1.8
96.71682	1.7
98.63452	1.8
99.00794	2.0
101.02340	2.8
118.59834	1.7
137.02299	2.5
142.99745	5.1
263.09427	4.1
263.12695	2.7
263.16547	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	259.0223
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
61.00734	1.0
70.51134	2.9
78.95776	100.0
80.33336	0.8
87.00748	0.9
87.05458	0.9
96.96841	93.2
98.19838	1.0
107.84464	0.9
110.04498	1.1
138.97928	5.9
168.98930	1.4
199.00075	2.4
199.69266	0.9
213.05090	1.2
241.01106	2.0
259.02209	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
57.03320	10.2
59.01252	4.4
61.98680	1.4
64.81633	1.0
69.03323	6.2
70.09141	2.9
71.01260	3.2
71.04890	19.1
80.31690	1.2
81.03340	1.9
83.04887	3.9
95.04913	2.3
97.02831	5.4
97.06458	17.3
99.00757	21.0
109.06485	2.7
123.08040	9.7
125.02362	2.4
125.09616	100.0
126.09944	4.1
137.09596	1.3
153.09148	5.4
153.12759	2.8
163.11226	21.1
166.99835	1.2
169.08611	1.3
179.10738	3.1
181.12273	61.3
182.12572	4.1
190.57185	1.1
197.11684	1.5
201.92210	1.2
207.10202	37.5
208.10547	4.0
213.14958	1.8
225.11275	85.7
226.11668	6.1
239.12804	3.8
256.99448	1.5
257.13931	36.8
257.17654	2.6
257.21411	1.9
257.23987	4.4
258.14349	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57890	1.1
57.03322	21.0
59.01250	2.6
63.37029	1.0
65.00208	1.4
68.05335	1.0
69.03308	3.4
71.04859	1.2
73.02811	2.6
81.03313	1.2
81.45737	1.1
83.04900	3.7
94.49196	1.2
109.06452	1.1
111.08021	5.3
123.07995	1.5
125.02357	1.4
125.09635	2.4
137.09633	2.3
139.11185	100.0
140.11525	4.2
153.12747	10.8
158.00043	1.4
163.11200	3.5
167.10699	1.1
168.41147	1.0
169.12248	5.2
176.98140	1.2
181.12268	24.5
183.10153	1.4
197.11758	11.3
213.14864	4.4
225.11278	26.9
226.11691	2.8
243.12216	1.9
257.13928	56.3
257.17157	1.9
257.17648	2.5
257.23969	4.4
258.14322	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.1
57.03309	8.3
59.01244	5.9
69.03323	7.2
69.42451	12.3
71.01249	4.6
71.04888	29.9
83.04891	6.8
85.02824	2.5
95.04869	2.5
97.02833	3.9
97.06465	17.4
99.00756	16.6
123.08044	10.5
125.02361	3.5
125.09617	100.0
126.09946	6.8
146.90288	2.1
151.11292	1.9
153.09129	8.6
153.12714	4.0
155.10591	1.9
163.11191	34.6
166.99701	1.7
168.94107	1.7
171.10136	2.8
179.10683	4.3
181.12276	57.2
182.12639	4.5
195.13771	3.1
207.10217	15.6
213.14845	3.2
221.11584	2.2
225.09254	3.4
225.11290	43.1
226.11598	3.1
239.12823	7.3
257.04758	2.7
257.08185	3.9
257.11224	4.4
257.13928	89.9
257.23889	7.6
258.14227	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	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
51.96778	11.1
57.09974	12.1
59.01244	48.6
63.67524	10.9
70.87127	12.1
71.01245	22.4
81.94044	11.0
89.02348	18.5
92.57153	11.5
98.20575	35.6
101.02310	26.5
253.09230	31.1
253.21654	100.0
254.22066	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	257.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.6
61.98695	3.0
71.51521	2.3
71.51905	2.6
71.73012	2.1
73.49645	2.2
74.02346	95.5
83.04905	2.3
85.02808	2.9
97.03939	3.7
100.00282	2.4
109.03951	11.1
110.09635	22.1
111.05538	28.4
122.09656	5.5
136.07573	3.3
138.04218	4.1
150.09114	5.9
164.09416	5.7
167.11801	5.1
177.10291	2.1
179.11819	100.0
180.12103	4.0
195.13765	2.3
211.10826	36.9
212.11206	2.1
223.10846	53.8
256.23538	10.2
257.09875	11.1
257.13934	2.4
257.23849	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01753	3.5
57.03312	2.7
58.00471	4.3
59.01254	100.0
60.01595	2.1
70.25188	0.8
71.01254	69.8
72.01590	0.9
72.99178	5.7
73.02825	8.0
75.00704	0.9
83.01272	5.9
84.02045	0.9
85.02827	15.7
87.00760	8.6
89.02322	59.7
91.03880	2.8
95.01277	5.0
97.02819	1.0
99.00731	1.8
101.02326	69.0
101.54948	0.8
102.02668	1.6
113.02339	32.1
119.03404	17.0
125.02271	1.2
131.03365	3.0
143.03383	5.2
149.04433	1.6
161.03217	1.5
161.04478	23.7
162.04842	1.3
179.05565	8.4
202.40005	0.8
253.09268	71.6
253.21613	1.1
254.09540	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.81879	2.4
55.01753	6.6
59.01252	100.0
69.25034	2.4
71.01254	69.1
71.09932	5.4
72.99173	4.6
73.02814	6.2
73.82028	2.5
83.01266	6.9
85.02837	15.4
87.00738	9.9
89.02320	64.8
95.01244	5.7
101.01704	4.5
101.02328	66.5
104.81720	2.3
113.02345	30.2
118.25094	3.0
119.03409	20.2
124.88033	2.5
131.03372	2.9
143.03378	4.6
157.27119	2.4
161.04483	26.3
179.05547	7.3
180.84004	2.5
253.09264	73.5
254.09587	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	252.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
58.00465	0.4
59.01250	11.2
61.98712	0.7
65.00196	0.5
65.01318	0.4
67.06432	0.3
69.85437	0.3
71.01257	6.6
72.99152	0.5
73.02829	0.7
79.95605	100.0
80.95554	0.5
80.96371	0.9
83.01247	1.0
85.02821	1.8
87.00755	1.1
89.02315	6.2
89.32127	0.4
91.03881	0.4
93.03337	0.4
95.01258	0.7
99.00742	0.5
101.02322	6.7
113.02332	3.2
119.03378	1.5
121.02853	0.4
125.02339	0.4
126.12785	0.4
139.03835	0.4
143.03336	0.4
150.24570	0.3
157.05083	0.4
161.04468	2.8
179.05531	1.0
188.09459	0.6
188.11070	9.4
189.11404	0.5
252.07291	40.2
252.16846	1.2
253.07060	1.0
253.09499	6.4
253.14394	0.7
258.06378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01239	2.9
62.64087	0.6
65.00185	1.5
70.53452	1.9
71.01263	1.1
92.99687	1.6
135.00726	0.7
156.52235	0.7
178.99812	1.0
180.95015	0.7
204.97688	1.3
222.98784	2.3
242.64204	0.6
250.98199	0.9
251.20143	100.0
252.20493	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	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03324	7.9
58.12261	0.5
59.01237	1.4
59.98390	0.5
61.98697	0.5
65.01324	0.5
69.03323	11.7
69.48893	1.9
69.49301	1.1
69.70773	0.5
71.01237	2.0
71.04891	4.6
72.62187	0.5
73.02817	0.7
76.96747	0.4
79.68703	0.5
83.04920	0.7
84.96165	0.5
85.02815	1.3
85.06456	1.8
89.02334	0.6
93.82496	0.5
95.04945	0.5
99.04396	16.2
101.02318	1.3
113.02360	1.2
135.00839	0.6
144.62402	0.5
161.04517	0.6
163.00308	0.7
179.14349	1.3
181.12292	1.3
191.14301	0.6
200.51433	0.6
206.99185	0.7
219.38533	0.6
225.19479	0.5
250.98384	0.6
251.16518	100.0
252.08968	0.9
252.16875	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
57.26773	0.4
59.01257	2.5
69.25845	0.3
70.99676	0.6
71.01257	0.8
83.04930	0.6
99.17120	0.4
129.01852	0.5
168.75113	0.4
182.95486	0.4
205.01447	0.7
205.15956	0.8
205.19531	1.1
231.17549	0.6
247.17070	1.0
248.17363	0.4
249.00465	0.5
249.18584	100.0
250.07256	0.4
250.14557	8.4
250.18883	12.9
250.21512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.27138	0.2
68.76693	0.2
71.01256	1.0
71.51704	0.2
76.75014	0.2
94.45034	0.2
100.08475	0.2
103.03873	0.3
103.11326	0.2
124.87650	0.2
177.09186	0.2
184.00052	0.5
186.95695	0.2
203.07047	0.3
205.15875	0.3
220.17010	0.5
221.34013	0.2
231.13821	0.5
247.17000	100.0
248.07927	0.4
248.17346	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03315	1.8
58.94350	1.2
59.01241	13.4
63.71287	1.1
69.03325	37.1
71.01230	1.1
71.04887	1.4
71.51890	1.3
71.52264	1.4
73.02789	1.4
83.04873	1.5
92.99680	1.7
93.03329	1.4
95.04902	4.7
97.06477	3.0
104.55908	1.1
109.06477	1.3
134.07277	1.3
149.13235	4.2
153.09036	1.3
159.11682	1.6
161.14459	1.2
167.10670	5.0
171.10272	1.5
175.11319	1.3
177.01830	1.2
179.10674	2.4
187.14818	5.1
191.10738	1.3
193.12251	9.5
205.08665	1.8
205.12318	12.3
205.15927	12.7
206.16318	1.8
221.15431	20.3
231.13841	35.3
232.14116	3.2
249.00381	2.6
249.14923	100.0
250.14738	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44079	0.4
57.03315	0.7
58.75523	0.4
59.01251	46.2
60.01594	0.5
71.04890	1.1
71.09843	0.8
89.42899	0.4
106.18568	0.4
127.11171	4.4
134.12352	0.4
137.09662	0.6
139.11168	1.9
155.10684	2.9
157.12253	21.5
158.12595	1.2
185.11755	15.1
186.12090	1.0
203.12830	100.0
204.13164	7.4
245.08321	1.0
245.13907	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
56.21667	0.8
57.03314	2.6
59.01232	2.1
61.98704	1.7
65.01337	1.1
69.25546	3.3
69.25965	4.8
71.04902	1.4
74.74866	1.0
79.67040	1.0
83.01248	1.3
83.04893	1.9
111.08035	3.4
125.09611	1.1
134.03467	1.0
155.14302	2.0
165.12785	18.4
166.13063	1.2
171.10201	1.3
174.03084	1.5
175.03914	1.9
181.12273	1.1
183.13850	18.7
199.13359	1.1
201.05481	1.3
201.14886	10.9
203.12755	0.9
206.02170	1.1
207.10323	1.2
209.11798	11.6
225.11324	1.5
227.12854	57.5
228.13229	4.4
243.12317	1.0
245.08514	7.1
245.13928	100.0
246.14250	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
51.95855	1.0
53.19005	0.9
57.03055	1.1
57.03324	15.7
59.01240	2.3
61.98688	4.0
67.01740	3.3
68.83903	0.9
69.03321	2.0
71.04876	1.2
71.52106	1.7
71.77607	0.9
73.02802	3.0
81.03359	1.0
82.02853	1.3
83.01239	1.9
83.04892	2.5
95.04883	2.4
97.06466	15.7
110.02377	10.0
111.00749	2.6
111.08029	2.5
123.08050	11.2
125.09611	100.0
126.09919	5.2
128.93935	1.1
137.09563	1.5
139.11177	10.4
140.03482	1.1
149.09714	1.2
153.09052	1.2
155.10689	2.4
165.09140	1.6
167.10689	32.8
168.11079	2.4
169.08560	1.2
181.15784	1.3
183.10207	7.3
197.21161	1.0
199.07503	1.3
199.13312	2.6
200.05568	2.3
211.09795	4.8
211.13350	2.1
225.11325	2.8
229.10699	2.5
243.06598	5.7
243.09869	2.6
243.12329	42.7
243.16081	2.7
244.12640	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45404	0.7
52.95903	0.7
57.03317	2.0
59.01251	59.5
60.01569	0.9
65.01324	0.7
69.03313	2.1
70.26731	2.4
72.34162	0.9
72.99177	10.2
77.63496	0.8
84.94144	0.8
85.06463	1.7
86.11423	0.7
95.22285	0.8
99.00732	0.8
102.46586	0.7
107.08564	4.1
110.02376	1.3
121.10131	2.0
125.09621	2.9
139.11214	3.8
151.63377	0.8
155.10713	3.9
183.10188	59.3
184.10526	3.6
199.03928	1.5
200.12842	1.8
201.11256	100.0
202.11606	6.8
225.11243	0.8
243.02965	2.5
243.06601	1.9
243.12309	5.6
243.16049	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01714	0.6
57.03331	1.1
59.01243	1.4
61.98699	1.2
65.01313	0.8
67.01749	1.1
69.03339	0.6
70.80743	1.1
71.04883	2.8
72.99175	0.6
82.02833	0.7
83.02348	0.7
83.04865	1.1
97.02814	4.3
97.06453	1.2
99.00755	14.2
109.06520	0.7
110.02380	2.9
110.03629	0.8
111.00789	1.1
112.03344	0.6
112.92047	0.5
121.19296	0.5
123.08030	1.1
125.09630	4.1
136.05159	0.8
140.03384	0.7
142.02591	1.6
146.03490	0.7
153.12767	0.9
154.99803	0.7
155.14410	1.3
163.11215	4.7
171.10196	1.4
179.10646	0.6
181.12260	17.0
182.12639	0.8
197.11777	2.2
199.13339	19.0
200.05626	1.1
200.13670	1.5
207.10205	32.1
208.10547	2.5
216.08745	0.7
225.11273	61.1
226.11601	4.6
237.25572	0.6
243.12354	100.0
244.12694	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.01030	0.8
55.32450	0.8
57.01405	0.9
57.03322	2.0
59.01249	3.2
67.01758	1.6
67.39210	0.9
68.99685	0.9
69.65511	5.4
71.04903	4.9
83.04900	1.8
93.77763	0.9
97.02824	8.5
97.06466	3.3
99.00761	28.4
109.06475	1.9
110.02335	4.2
110.03620	2.0
116.03431	0.9
123.08020	1.5
125.09618	9.6
127.11167	2.0
136.05170	1.8
142.02606	2.1
152.03488	1.0
153.12805	1.1
155.14320	2.6
161.09561	1.1
163.11206	10.2
164.11507	1.1
179.10725	1.0
181.12254	30.4
182.12619	2.5
189.68268	1.1
197.11795	1.2
199.13315	27.5
200.05502	1.6
200.13669	1.4
207.10197	59.4
208.10524	3.8
225.11275	100.0
226.11565	8.6
243.06862	2.2
243.12350	95.4
244.12627	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03318	2.1
58.23601	1.1
58.44239	1.2
59.01249	34.7
63.96103	1.8
64.90646	1.2
67.01743	1.3
69.84086	4.7
71.01243	3.9
71.04884	2.5
73.02814	2.3
82.02862	1.2
83.04893	1.3
97.02832	3.1
98.20484	2.4
99.00755	8.0
100.25488	1.1
110.02375	6.5
111.00744	1.2
112.11212	1.2
119.02357	1.2
121.02873	2.0
125.09640	4.0
127.11187	2.1
139.11182	20.8
140.11552	2.0
142.02640	1.3
151.99326	6.8
153.12820	1.6
154.17427	1.3
163.11189	5.1
171.10229	1.7
173.04694	1.4
175.05945	1.2
181.12265	27.0
182.12598	1.9
183.10190	28.0
184.10468	2.6
197.11697	2.2
199.11487	1.8
199.13338	35.7
200.05475	1.4
200.13670	2.9
201.11217	2.3
207.10194	22.8
208.10579	1.8
215.12918	1.4
216.05261	1.5
225.11279	60.3
226.11562	4.3
243.04837	3.5
243.12343	100.0
244.12698	9.7
253.24480	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02361	1.1
57.00963	1.1
57.03323	2.9
59.01252	57.4
65.99718	1.4
67.01771	1.3
69.03318	1.6
71.01246	2.0
71.04911	1.2
71.52305	1.3
72.99188	11.5
73.02815	1.8
85.06477	1.6
107.08531	4.4
109.06494	1.5
110.02356	3.8
125.09615	2.0
137.09691	1.3
139.07428	1.4
139.11160	4.1
142.90511	1.3
155.10678	4.5
181.12265	2.2
183.10191	65.4
184.10535	2.5
186.69032	1.2
199.03835	1.6
201.11263	100.0
202.11649	7.8
207.10378	1.3
215.12814	1.4
225.11255	3.1
243.02847	3.0
243.06409	3.8
243.12408	7.1
243.16058	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	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01238	4.5
66.03362	19.0
68.01292	3.4
71.01247	2.9
71.13434	1.9
71.13773	2.1
82.02858	36.1
83.01249	2.3
94.02867	5.3
95.01251	2.0
96.04433	1.6
108.04455	2.5
110.02366	100.0
111.01895	5.4
111.02699	3.6
122.02332	9.0
124.03880	3.0
140.03426	10.6
146.08556	1.4
152.03423	18.4
153.02910	9.3
200.05579	41.8
201.06007	1.5
243.06206	27.7
243.12242	1.8
243.15973	1.7
244.06383	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	243.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	0.6
61.98692	2.4
67.01774	1.6
69.03329	32.8
69.58726	4.7
70.03665	1.2
70.92516	0.7
71.01261	0.7
79.01770	3.1
81.03336	2.1
82.02869	1.4
84.04370	0.8
85.02826	1.6
91.01772	0.7
95.00750	0.8
95.01255	4.9
97.02836	22.4
98.03192	0.7
107.01273	8.4
108.02058	56.3
109.02960	4.0
110.02361	4.9
111.00767	1.4
114.13443	0.7
121.02860	3.0
123.00767	7.3
125.02343	37.8
126.02711	2.0
135.00783	64.4
136.01128	3.2
137.02385	5.9
151.00270	2.8
152.01064	100.0
153.01407	4.7
167.23256	0.8
169.06509	1.2
197.06042	7.4
200.05656	1.7
211.13342	0.9
213.05524	2.0
215.07072	1.3
225.11250	1.9
243.02980	0.9
243.06583	17.2
243.12321	1.9
243.15982	1.0
244.06816	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35979	0.3
58.99144	0.3
59.01252	11.7
59.96585	0.4
62.19522	0.3
63.60598	0.3
70.52189	1.0
74.98943	9.7
75.96065	0.5
78.12670	0.3
80.37906	0.3
85.02792	0.4
85.51192	0.3
87.00747	1.8
91.01540	0.7
91.02084	10.1
91.12231	0.3
92.02025	0.5
93.00006	4.1
99.00737	0.5
102.33439	0.3
125.02335	0.4
149.00848	5.6
150.00943	0.4
150.98836	0.5
161.04419	1.4
179.05533	8.3
180.05879	0.4
190.55177	0.4
206.99667	2.6
223.02779	100.0
224.02817	12.4
239.05901	0.8
239.12857	0.6
241.03757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
57.56127	0.9
59.01239	1.4
59.23241	0.9
61.98714	1.3
62.41222	0.8
67.17548	0.9
79.70679	1.0
81.03303	1.0
83.04886	4.8
92.99680	1.6
95.04932	1.7
97.06472	11.6
107.32626	1.1
108.02025	1.1
111.08031	12.9
126.54890	0.9
147.11694	1.1
151.03873	0.9
153.32964	0.9
163.11176	2.9
165.12761	100.0
166.13130	8.5
197.15405	17.6
198.15721	2.1
204.97743	3.8
209.11780	5.1
211.94229	1.1
222.98807	5.9
226.16992	1.0
229.10095	1.2
240.99821	1.2
241.07103	1.2
241.10817	1.4
241.14401	3.8
241.18169	1.6
241.21620	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08790	0.2
59.01249	0.7
61.98725	0.2
64.93832	0.2
69.24879	0.8
69.25306	1.1
71.01243	0.4
74.36162	0.2
80.12260	0.2
90.49445	0.2
98.19843	0.5
98.88756	0.2
101.02332	0.3
111.04406	0.3
113.02325	0.3
121.02794	0.3
124.14888	0.2
134.03641	0.8
135.04456	0.6
136.05202	0.6
139.21611	0.2
148.05194	9.0
149.05786	0.6
149.09630	1.4
151.07643	0.4
162.06783	0.3
175.07526	0.5
176.08307	0.6
177.09128	42.9
178.09462	3.5
179.10735	0.2
190.09883	1.6
191.07054	0.2
191.10648	1.1
192.11487	31.5
193.11864	3.1
201.09113	0.6
203.07092	1.0
207.09962	0.3
217.08659	3.2
218.09424	8.3
219.09790	0.9
236.10503	100.0
237.10883	10.0
237.14743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1336
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
57.03321	3.8
59.01255	2.1
59.69025	0.6
69.67524	3.9
71.01257	1.4
80.37492	0.6
81.03345	0.9
83.04909	1.3
85.02821	6.8
91.05463	0.6
95.04914	1.2
107.04892	1.4
113.05972	1.7
120.33109	0.8
121.06508	3.5
121.10114	2.9
137.09625	15.2
138.09926	1.1
147.08040	7.2
157.06461	1.1
163.11194	100.0
164.11530	8.4
165.09120	1.6
173.09645	2.8
174.10324	0.7
175.11250	4.0
179.10675	0.8
181.99121	0.6
183.08049	0.8
189.12798	1.0
190.90678	0.6
191.10707	0.7
199.11163	1.1
201.09152	10.9
202.09756	2.5
215.10802	0.7
217.12282	42.1
218.12613	4.0
220.03764	0.8
231.40169	0.6
235.13359	73.9
236.13692	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.8
59.01249	68.8
66.36228	3.7
71.01258	23.4
71.28516	6.5
85.02823	4.0
93.03323	12.0
99.00772	7.7
101.02341	4.1
104.03404	7.0
109.30466	3.2
111.00755	9.1
111.04397	3.2
129.01791	6.1
173.04453	8.1
224.05092	3.5
233.15422	100.0
234.15746	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00705	0.3
59.01247	5.6
59.96589	0.4
60.97375	0.6
65.82661	0.3
74.98939	8.0
75.98894	0.4
79.92893	0.3
85.52358	0.3
91.02075	0.9
93.00015	3.6
93.03353	1.5
118.96150	1.1
134.99289	8.1
135.99229	0.4
136.97205	3.1
141.07333	0.3
143.05237	0.6
149.00858	73.5
150.00807	5.1
150.98793	1.2
159.08354	2.0
161.06294	3.9
167.01877	0.6
173.04457	1.9
201.03947	0.4
205.73340	0.3
207.09119	0.3
215.05663	1.6
217.07156	97.2
218.07300	12.0
223.29251	0.3
233.10298	100.0
234.10451	13.5
234.15663	0.8
235.08249	0.6
241.83424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.79124	0.3
53.38176	0.3
57.03320	1.8
58.70417	0.3
59.01242	0.3
61.30407	0.3
65.01320	0.4
65.99708	0.3
69.64954	1.7
71.04889	0.8
83.04904	0.4
84.02062	0.7
85.02809	0.8
88.24178	0.3
97.06467	0.8
123.08047	0.4
125.05952	0.5
125.09613	4.6
126.09921	0.4
127.11181	4.4
130.97191	0.3
137.46194	0.3
146.42180	0.3
151.48911	0.3
155.14333	2.5
165.12776	1.0
167.14348	1.9
171.10246	0.7
173.29556	0.3
183.13799	0.8
204.39612	0.4
209.11784	2.3
211.13327	3.5
212.13672	0.5
221.54364	0.3
229.14407	100.0
230.14757	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03318	1.4
59.01250	0.5
65.01315	0.6
65.99719	0.3
69.21721	2.5
71.04903	0.4
73.02807	0.4
83.04903	0.8
84.02033	0.4
85.02811	0.9
89.15926	0.3
97.06473	0.6
121.03925	0.2
123.08091	0.4
125.09624	2.7
127.11190	4.7
128.11531	0.3
132.05644	0.2
132.30858	0.3
155.14323	2.1
160.04988	0.4
165.12752	0.8
167.14337	2.0
171.10191	4.9
174.03072	0.4
183.13821	1.4
185.11758	1.0
185.15341	0.3
192.97664	0.3
201.14940	0.3
203.09186	0.3
206.02235	0.3
209.11774	3.0
211.13342	8.7
212.13681	1.0
227.12688	0.3
229.14407	100.0
230.14743	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	227.1284
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
55.34675	0.4
57.03329	4.7
59.01243	0.4
69.02999	0.4
69.03314	2.5
69.95148	0.9
69.95550	1.1
71.04895	0.5
73.02796	0.4
81.03341	2.0
83.04896	5.0
93.03328	0.9
95.01257	0.4
95.04898	4.8
97.06469	23.7
98.06786	0.7
109.06535	0.7
123.08054	0.9
125.09571	1.3
133.10136	3.5
135.08058	0.6
149.09637	3.1
150.10001	0.5
151.11192	100.0
152.11528	7.6
165.12764	0.9
177.09138	0.8
183.13824	2.2
195.10208	14.5
196.10567	0.9
204.77158	0.4
209.11812	0.6
213.11276	1.7
227.04793	1.2
227.12851	14.9
227.20099	1.8
228.13187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.3
67.01754	0.5
69.39739	2.2
69.40166	1.4
80.02538	2.1
80.62392	0.5
81.03330	2.0
83.01261	0.9
83.04895	7.1
84.02042	4.1
95.04877	0.8
97.06454	0.5
103.48141	0.5
106.04011	0.5
122.18769	0.5
125.05966	0.7
125.09612	0.8
135.08066	0.9
163.11201	5.3
164.11546	0.9
165.12764	4.7
166.13107	0.9
169.12233	1.4
181.12296	1.4
183.00423	0.7
183.13832	2.3
190.18068	0.5
191.10692	1.5
198.07629	0.4
199.13344	4.3
209.11774	100.0
210.12119	9.4
227.07162	0.8
227.09248	1.0
227.12888	6.2
227.16495	1.1
227.20129	1.7
228.13225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.69294	0.2
53.73914	0.2
54.61371	0.2
57.03329	0.6
59.01296	0.2
69.03328	0.4
69.68629	1.7
97.06506	0.3
111.08053	1.0
140.99385	0.3
147.75018	0.3
159.69923	0.3
165.12764	19.6
166.13168	1.5
181.12146	0.3
183.13828	100.0
184.14191	8.5
199.13118	0.3
209.11816	1.7
227.12837	17.0
227.20253	0.5
228.13203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
55.61592	0.3
57.03321	0.4
57.09740	0.3
59.01241	0.8
65.01315	0.9
65.99725	0.3
67.01766	0.5
68.99693	0.4
69.03333	0.3
69.53596	0.3
69.94289	0.3
71.01223	0.3
71.04887	0.5
73.64620	0.4
80.02538	2.1
81.03326	2.3
83.01284	0.5
83.04897	7.1
84.02052	3.7
95.01274	0.6
95.04909	1.2
97.06429	0.7
106.04025	0.6
109.06474	1.2
125.05967	1.3
125.09614	0.6
130.03894	0.4
132.05562	0.4
135.08037	1.3
139.11156	0.6
142.04044	0.3
143.80344	0.3
147.42725	0.3
157.05106	0.4
158.03491	0.7
163.11214	6.1
164.11519	0.6
165.12782	4.2
181.12271	1.4
183.13815	2.6
191.10710	2.0
197.00719	0.6
199.13351	1.7
201.07790	0.7
209.11772	100.0
210.12120	10.3
227.03545	0.8
227.05466	0.6
227.09230	0.9
227.12836	5.6
227.16360	0.8
227.20085	1.5
228.08989	0.4
228.13133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03339	0.6
59.01235	2.0
61.98704	1.3
65.00179	1.0
68.99689	0.6
69.03333	0.6
70.43526	1.2
71.04905	0.4
78.04752	0.4
81.03312	0.5
83.04887	1.2
83.33392	0.4
90.37415	0.4
93.03333	0.7
97.02831	10.8
97.06435	0.7
99.00758	3.5
102.34273	0.4
109.06455	3.2
110.03622	4.9
111.04451	0.8
121.06461	0.5
123.04426	0.9
125.06006	0.7
125.09615	1.9
135.08044	1.8
136.05231	2.7
136.98660	0.4
137.02350	0.5
137.53616	0.4
142.02629	6.1
145.10184	0.6
151.07529	0.5
153.12723	0.5
156.60938	0.4
161.09644	1.1
163.11189	12.4
164.11497	0.9
179.10745	1.8
180.04228	0.4
181.12260	31.4
182.12630	2.8
189.09073	0.5
195.02849	0.5
197.11790	1.4
199.06189	0.7
206.99336	0.5
207.10201	76.1
208.10547	6.7
210.05301	0.5
225.11270	100.0
226.11624	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
58.00471	0.5
59.01249	1.6
64.79723	0.3
65.01312	0.5
65.75140	0.3
65.99713	0.4
67.01746	0.6
68.99700	0.4
69.03323	0.5
70.19177	1.0
71.01262	0.5
71.04885	0.7
75.77089	0.3
75.78748	0.3
80.02546	1.8
81.03326	1.5
83.01247	0.7
83.04895	7.0
84.02048	3.2
85.06439	0.3
91.02853	0.4
93.03365	0.6
95.04882	1.2
109.06440	0.6
111.00715	0.6
111.08045	0.5
113.05962	0.3
113.29596	0.3
119.02421	0.4
125.05958	0.8
125.09623	0.3
135.08055	0.9
139.00281	0.5
141.12700	0.6
147.11700	0.4
149.12308	0.4
157.05113	0.5
159.06662	0.4
163.11188	4.6
165.12759	4.8
166.12997	0.4
168.63766	0.3
169.12210	1.5
171.13785	0.5
181.12296	1.2
183.13821	2.6
191.10677	2.0
195.18657	0.4
198.78174	0.3
199.13304	6.7
200.13725	0.6
201.07782	0.5
209.11766	100.0
210.12109	9.3
210.13640	0.2
227.03506	0.4
227.07253	2.2
227.09201	0.6
227.12852	8.6
227.16347	0.8
227.20042	1.9
228.13219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
56.81670	0.5
57.03308	2.0
58.33827	0.6
59.01253	7.8
69.03324	9.2
69.29941	0.6
70.43550	2.0
71.01260	1.3
71.04906	2.6
77.88953	0.5
83.04874	0.9
85.06453	1.8
91.89371	0.6
93.03316	1.0
95.04914	1.6
98.61238	0.6
108.05702	1.1
109.06468	2.1
123.08036	0.8
125.09631	0.9
125.91599	0.6
129.24393	0.6
135.11656	0.8
135.84431	0.6
141.09077	0.6
149.09633	1.4
161.13286	1.9
166.06209	0.9
167.10686	11.5
168.10945	0.8
168.35323	0.5
173.07759	0.6
177.12769	2.0
179.10747	4.1
179.14320	11.6
180.14714	0.8
195.13841	29.9
196.14194	3.2
205.12286	23.2
206.12645	1.9
223.02750	2.3
223.13350	100.0
224.13686	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.40821	1.0
54.04666	1.0
54.35484	1.0
57.03306	1.7
59.01254	7.7
69.03323	8.7
71.04902	1.3
81.92400	1.1
83.04913	2.2
85.01751	0.9
85.06475	2.3
93.03341	0.9
97.06400	0.9
98.19840	2.7
99.09113	0.9
109.06474	1.3
111.08024	1.4
115.35313	0.9
120.04595	1.1
125.09585	1.3
135.11726	1.1
141.09169	1.0
149.09589	1.6
149.50462	0.9
150.99678	1.0
161.13242	1.8
167.10698	11.9
177.12775	2.1
179.10695	3.7
179.14331	11.7
195.13832	32.0
196.14220	3.2
205.10318	1.3
205.12282	24.0
205.14101	1.9
206.12743	2.0
223.13351	100.0
224.13670	12.8
230.75514	1.1
244.41515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03323	2.3
59.01252	7.7
65.00185	0.7
68.99692	0.6
69.03329	8.9
69.94319	2.3
71.01253	1.9
71.04886	3.1
73.02813	0.6
74.29478	0.5
80.02533	0.6
83.01310	0.6
83.04897	1.8
85.02806	0.6
85.06467	1.9
92.99686	0.7
93.03344	1.1
95.04898	1.6
97.06476	1.0
99.07990	0.6
101.02329	1.0
108.05688	0.6
109.06482	1.8
111.08001	0.6
113.02271	0.7
125.09601	1.5
135.00761	0.6
135.11717	0.7
141.09100	2.2
149.09621	1.9
151.00128	0.5
153.09044	0.7
155.10741	0.6
161.09644	0.7
161.13257	1.4
167.10695	12.0
168.11064	0.9
176.98155	1.4
177.12729	2.0
178.99840	0.7
179.10730	5.2
179.14326	10.5
180.11072	0.5
180.14673	1.2
193.01370	0.9
194.99309	0.6
195.13841	28.6
196.14276	2.9
205.12283	23.4
206.12636	2.8
208.03758	1.2
222.98950	0.9
223.02699	1.1
223.13354	100.0
224.13708	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99278	0.2
59.01237	0.7
59.96592	0.7
60.69815	0.2
61.77176	0.2
61.98693	0.9
65.00197	0.3
69.88727	0.7
71.01231	0.3
73.02840	0.3
74.98945	14.7
75.96083	0.9
75.98910	0.6
84.80284	0.2
93.00014	8.6
98.77199	0.2
99.50715	0.2
101.02312	0.3
110.55221	0.2
123.93205	0.2
149.00865	11.9
150.00948	0.7
150.98772	0.6
151.03894	0.7
157.87894	0.2
166.06297	1.0
176.98169	0.2
193.01370	0.5
194.99292	0.3
195.13773	1.1
206.99643	5.4
207.01483	0.4
207.99646	0.5
208.03848	0.5
208.97490	0.3
223.02791	100.0
223.13336	2.0
224.02826	14.4
224.13654	0.3
225.00822	0.4
241.03899	2.2
242.03876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56958	3.1
55.01759	5.2
57.03322	18.5
59.01247	16.7
71.01257	22.1
71.51366	5.5
72.99178	24.8
73.02817	4.5
75.00734	6.8
78.95769	7.0
79.78062	4.2
81.03333	7.0
83.01263	9.4
84.02032	4.9
85.02825	100.0
87.00754	11.4
95.24007	3.2
99.00766	9.9
101.02316	16.0
103.00268	3.8
111.00069	5.3
111.00774	53.5
113.02357	4.9
122.34485	3.7
125.02356	27.8
129.01834	57.2
143.03360	4.9
147.02908	23.2
161.04451	4.3
165.77242	4.1
168.97346	5.2
187.02415	4.5
189.97804	6.3
193.01329	9.9
205.03474	65.3
208.03670	12.8
223.02744	8.0
223.04507	78.8
223.07837	3.9
223.13380	7.2
224.04878	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.57999	0.5
56.26932	0.5
59.01236	0.7
68.10333	0.5
68.71775	0.5
71.29767	0.9
82.31895	0.4
88.00475	0.5
100.04678	0.5
137.17462	0.5
160.95280	0.5
163.02490	0.4
175.67619	0.6
183.13824	29.0
184.14217	2.4
195.13847	24.1
196.14133	2.7
211.13266	0.8
213.14905	100.0
214.15263	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	221.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	22.1
60.63809	4.4
60.99168	10.1
71.50613	7.9
72.99182	100.0
75.00772	10.7
78.24089	5.1
87.00753	4.6
89.02306	11.9
101.92395	5.0
105.01808	7.4
115.00250	12.7
133.01331	29.2
163.49919	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	221.0451
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.01758	11.6
58.02848	1.0
59.01250	8.3
66.15958	0.4
69.24612	3.4
69.25023	0.7
71.01284	0.5
79.01960	0.4
85.02811	0.6
94.07497	0.5
98.20586	0.4
103.08362	0.4
113.02309	0.4
115.05415	1.0
119.04956	2.2
131.04913	8.6
132.05202	0.5
133.06487	100.0
134.06807	6.6
158.03630	0.7
159.04427	11.9
160.04741	1.0
161.04431	0.8
163.00313	0.5
163.03952	0.7
177.05492	4.4
178.08696	0.5
180.06648	0.7
186.43115	0.5
186.82619	0.4
190.99794	0.8
203.03487	3.4
206.02190	0.6
221.04520	7.1
221.06490	0.4
221.08191	0.6
221.11789	1.7
221.15196	1.0
222.04994	0.5
222.07712	0.8
227.82326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
56.07171	0.3
57.03315	0.5
58.39904	0.4
59.01233	0.9
65.01321	0.7
66.00831	0.3
71.07094	0.6
71.07420	0.3
83.04921	0.7
85.02856	0.3
93.49976	0.3
97.06472	0.9
125.09625	0.5
139.07518	0.4
139.15886	0.4
144.05550	0.5
151.11194	12.4
152.11546	0.8
155.10623	0.3
169.12262	100.0
170.12608	8.3
183.13847	3.0
184.37996	0.3
187.06215	0.5
195.10242	0.9
195.13853	2.3
203.70499	0.3
213.05641	0.5
213.07745	1.0
213.11295	15.4
213.14883	12.6
213.18219	0.5
214.11652	1.6
214.15193	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	213.1127
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03322	5.2
59.01254	1.3
65.01318	1.0
65.99707	0.7
69.03317	1.0
71.01254	0.5
73.02801	0.4
75.71748	0.4
83.04899	2.3
95.04935	0.5
96.10510	0.4
98.19764	0.9
101.12914	0.5
101.67303	0.4
105.56727	0.4
106.03979	0.4
109.06510	0.5
111.08044	9.9
112.08352	0.6
119.08579	0.5
120.05614	0.4
123.08047	47.1
124.08390	3.0
125.02287	0.5
125.09618	5.0
130.03963	0.7
133.03969	0.5
133.10121	0.6
135.08044	0.5
137.09630	10.4
138.09894	0.6
139.11186	69.2
140.11533	5.0
142.04054	0.4
144.05502	0.5
146.03424	0.5
148.25957	0.4
149.09599	0.6
151.11191	12.5
152.08319	0.4
153.09082	1.3
160.05075	0.5
165.97180	0.5
167.10686	2.4
169.08684	0.4
169.12259	7.2
171.06696	0.8
172.06235	0.8
173.04581	0.5
183.13840	1.5
185.11676	0.7
186.06604	0.6
187.06183	1.5
194.99303	0.5
195.10185	0.5
195.13853	1.5
196.04135	0.4
213.11266	100.0
213.14854	7.3
214.07222	0.6
214.11612	8.4
214.15144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43832	0.4
59.01237	0.3
69.03332	1.2
71.09752	0.4
71.10081	0.6
88.88031	0.4
91.60863	0.3
110.60052	0.5
114.26836	0.4
120.46455	0.3
165.12804	0.6
167.10716	1.3
167.14319	1.2
175.11258	0.4
183.13824	15.9
184.14168	1.4
193.12250	4.3
194.12596	0.5
211.13339	100.0
212.13683	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57253	0.2
53.04538	0.2
56.06604	0.3
59.01241	0.3
63.38549	0.3
63.94146	0.3
64.73845	0.3
67.01767	0.4
68.99677	0.4
69.03317	0.8
70.81799	0.7
77.22462	0.3
78.75606	0.3
83.04910	0.7
94.94300	0.2
95.01251	0.4
123.00755	0.3
123.08052	0.3
137.54333	0.3
139.00360	0.3
153.26178	0.3
155.10687	0.4
159.35133	0.3
163.21400	0.3
165.12709	0.6
167.10677	1.2
167.14349	2.1
183.13826	14.7
184.14153	1.4
192.97865	0.4
193.12300	3.7
194.12550	0.5
211.13330	100.0
212.13672	9.7
213.31938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.53463	0.2
57.03315	0.5
57.64432	0.2
59.01233	0.5
61.98692	0.3
67.01764	2.8
67.68595	0.3
68.72495	0.3
68.99689	0.6
69.03316	0.4
69.17237	2.5
69.17651	0.6
73.35820	0.3
83.04893	0.8
85.06445	0.4
92.99690	0.4
95.01265	0.4
97.06477	0.4
98.19770	0.5
120.10139	0.3
123.00814	0.4
123.08028	0.4
124.03926	0.3
125.02377	0.5
125.04259	0.4
125.05920	0.3
125.09604	4.6
137.02347	0.5
139.00325	0.3
164.98306	0.3
167.07065	0.3
167.10654	0.4
167.14323	3.9
168.14609	0.4
183.13855	0.9
192.97742	0.5
193.01178	0.4
193.12306	0.7
196.03650	0.5
211.13335	100.0
212.13673	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.97733	0.3
57.03300	0.6
61.98707	0.4
67.01769	2.1
70.06082	1.4
83.04891	0.9
92.99704	0.5
95.01266	0.7
97.06458	1.4
109.06460	0.5
111.08032	0.6
119.69997	0.3
123.00736	0.4
123.08034	0.7
125.09611	3.6
139.00298	0.5
139.03802	0.4
139.88567	0.3
154.06248	1.1
161.32059	0.3
167.10611	0.4
167.14317	4.5
168.14684	0.7
168.76672	0.3
171.10162	1.3
175.11128	0.4
183.13815	1.3
186.05244	0.4
192.97736	0.5
193.04941	0.4
193.12245	0.9
195.10146	0.6
209.54115	0.3
211.06090	1.0
211.13332	100.0
212.13664	9.2
217.60429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.07359	0.6
57.03328	4.3
58.02255	0.6
59.01252	100.0
60.01596	1.5
61.98710	2.3
65.00206	1.3
65.90469	0.6
67.47723	0.6
69.03328	1.1
71.51905	1.2
78.93716	0.7
80.02539	1.5
81.03358	1.9
83.04915	2.1
84.93706	0.7
85.02844	1.1
87.75038	0.7
91.01791	1.2
92.99706	1.7
93.03352	3.0
94.02871	3.8
95.01247	1.7
95.04903	1.6
96.95921	0.8
97.06470	4.1
107.04951	0.8
109.06455	4.5
110.81773	0.8
114.17555	0.7
116.02516	0.9
120.02052	1.2
121.02846	90.2
122.03123	5.8
123.04427	1.4
124.03937	15.1
125.02350	1.1
135.04410	1.8
136.98727	0.8
137.02391	1.4
137.05984	1.6
139.03958	1.0
149.09679	0.9
151.03957	1.0
156.05600	1.7
161.02347	1.4
163.11224	1.8
165.01833	1.1
165.05505	2.8
165.12767	6.1
165.30435	0.7
166.13168	0.7
178.99796	1.8
179.03415	3.0
181.01483	0.8
181.04974	1.2
183.06660	3.9
194.02066	2.0
194.05791	2.0
209.00923	1.5
209.04501	14.6
209.06334	1.7
209.08357	5.1
209.11766	33.2
209.15158	1.4
210.04849	1.1
210.07692	3.7
210.12152	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01237	0.6
61.98697	0.4
69.03320	0.9
71.52518	0.5
81.03370	0.3
83.04902	0.5
97.02841	0.3
108.84001	0.3
122.55403	0.3
137.09587	0.3
139.00208	0.3
155.10689	0.4
165.12767	0.6
167.10722	0.8
167.14340	1.5
175.11433	0.3
183.13832	14.1
184.14246	0.9
193.12289	4.0
202.87067	0.3
211.13342	100.0
212.13683	8.5
222.44504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76955	0.4
55.01757	2.8
57.03320	2.7
59.01250	0.7
61.98699	0.6
68.99697	0.6
69.03329	1.2
69.08313	0.4
70.05025	1.8
71.01256	0.5
71.04891	1.1
80.02552	0.7
81.03326	5.6
83.01258	34.3
83.04902	4.2
84.01573	0.9
84.02046	1.9
92.99705	1.2
93.03332	1.1
94.02852	2.1
95.04902	2.5
97.02838	0.5
97.06464	5.2
108.02097	0.4
109.06472	0.9
110.03652	0.4
111.08016	0.5
120.02034	0.6
121.02847	20.1
122.03141	0.8
123.04424	0.4
123.08075	2.9
124.03956	4.0
125.06030	0.6
125.09614	29.4
126.09946	2.0
135.08078	2.6
137.02248	0.6
137.06001	0.4
147.11699	1.1
151.03918	0.5
152.98169	0.4
161.09651	0.5
163.11195	11.2
164.11513	0.9
165.05417	0.8
165.09076	0.6
165.12781	4.5
173.09633	0.8
179.03389	0.4
181.01324	0.5
181.12328	2.3
191.10707	11.1
192.10994	0.6
194.02045	0.5
209.00890	0.9
209.04489	3.0
209.11768	100.0
210.07722	0.5
210.12114	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01746	1.7
55.22345	0.6
57.03325	5.2
59.01250	1.5
61.98705	0.8
67.01780	0.8
69.03320	2.6
69.70039	2.9
71.01258	16.1
71.04897	0.8
73.02826	1.8
80.02554	1.9
81.03333	3.1
83.01257	15.6
83.04903	5.4
84.02041	2.1
86.69270	0.6
92.99674	1.0
93.03342	2.1
94.02866	1.4
95.04896	3.5
97.02833	1.0
97.06476	5.9
98.19877	0.8
99.04387	1.1
107.04905	0.9
108.02097	0.8
109.06446	1.2
111.08051	2.4
121.02839	14.0
122.03245	0.8
123.08024	2.5
124.03929	2.6
125.05948	0.7
125.09614	17.0
126.09937	1.3
134.03583	0.8
135.08049	2.7
137.09688	0.7
145.10106	2.6
147.08089	0.9
147.11722	2.2
149.09601	0.9
151.11185	21.1
152.11525	1.6
153.12735	2.4
161.09531	0.8
163.11217	10.4
165.12767	15.9
166.13133	1.1
167.10699	1.1
173.09612	2.4
179.10736	3.5
181.12265	29.7
182.12625	2.7
191.10707	18.0
192.11008	1.4
209.00648	0.7
209.04466	2.4
209.11772	100.0
210.12122	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.9
57.03322	2.3
63.64851	0.3
69.03323	1.2
69.19669	1.2
69.20087	1.9
71.01260	0.6
71.04900	1.1
75.27708	0.3
79.23303	0.3
80.02534	0.7
81.03331	5.1
83.01257	34.9
83.04899	3.6
84.01582	1.1
84.02042	1.6
86.44283	0.4
93.03342	0.3
95.04910	1.8
97.06462	5.6
98.18732	0.3
104.13451	0.3
108.02067	0.3
109.06479	0.6
111.08051	0.9
115.13129	0.3
120.46069	0.3
121.02850	5.3
122.03130	0.4
123.08076	2.8
124.03944	1.0
125.05956	0.5
125.09612	31.1
126.09928	1.8
135.08076	2.5
136.98703	0.4
142.02660	0.3
147.11690	1.2
149.09598	0.5
151.11237	0.4
153.12697	0.5
161.09616	0.5
163.11201	11.9
164.11531	0.9
165.12743	3.6
167.10675	0.5
173.09654	0.8
181.12256	1.8
191.10715	9.5
192.11047	0.8
208.89528	0.3
209.04422	1.1
209.11775	100.0
210.12119	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	209.1178
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
57.03330	8.0
58.00461	1.3
59.01249	2.9
61.98698	4.5
65.00198	2.3
65.78624	0.7
68.99675	1.0
69.03323	3.3
70.91203	0.8
71.01257	27.7
71.04892	1.6
73.02815	2.2
80.02551	2.8
81.03338	3.7
83.01266	2.1
83.04892	6.1
84.02045	1.9
84.25902	0.8
85.02815	1.5
91.01776	0.8
92.99701	8.3
93.03336	2.6
94.02883	5.8
95.04924	5.1
97.02858	0.9
97.06470	6.3
97.43778	0.7
99.04375	1.2
106.04092	1.1
107.04896	1.6
108.02068	1.2
109.02861	1.2
109.06483	2.1
111.08023	3.5
112.01528	1.1
121.02846	61.1
122.03150	3.9
123.03159	0.8
123.04461	1.8
123.08057	2.7
124.03944	14.5
125.02314	1.0
125.09610	8.5
126.33314	0.8
134.03619	1.8
135.04469	1.0
135.08037	2.0
136.01555	1.1
136.98703	2.4
137.02386	1.0
137.05962	1.4
137.09613	1.6
144.00494	1.0
145.10138	3.2
147.08066	1.2
147.11702	3.7
149.09595	2.2
151.03822	0.9
151.11192	34.7
152.11504	3.6
153.12801	5.3
161.02328	1.5
161.09625	1.5
163.11215	11.1
164.98126	0.9
165.01866	1.6
165.05507	1.7
165.09058	1.5
165.12764	24.0
166.13074	2.1
173.09648	2.7
178.99762	1.5
179.03412	2.2
179.10689	6.7
181.01366	0.9
181.12268	41.0
182.12630	3.8
191.10715	21.0
192.11093	2.4
194.02177	1.9
194.05772	1.6
197.04112	0.7
209.00888	1.9
209.04553	9.3
209.11774	100.0
209.94960	1.3
210.07651	1.2
210.12131	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.76577	0.1
59.01236	0.2
68.12704	0.1
68.47866	0.1
69.38579	0.6
69.39010	0.6
71.01247	0.2
72.99170	0.7
85.02835	0.3
87.60489	0.1
95.88992	0.2
96.32640	0.1
103.44142	0.1
106.54265	0.2
111.00761	1.5
143.41034	0.1
147.04431	0.3
149.09569	0.2
154.99774	0.1
161.02307	0.2
164.07039	0.5
173.00841	0.2
189.12798	1.8
190.13081	0.2
202.99818	0.2
205.05042	0.5
205.15918	100.0
206.08261	0.2
206.16261	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	2.2
50.31197	2.0
53.12982	1.9
55.01751	2.9
56.70787	2.2
57.03314	4.9
57.36632	2.2
58.00465	4.5
58.02834	3.1
59.01247	43.2
60.01596	5.6
60.99173	3.1
68.99693	9.5
70.79984	4.5
70.80342	3.3
71.01254	32.7
72.01588	10.5
72.99182	33.5
73.02816	6.3
73.99517	5.0
75.00749	18.1
76.01109	2.7
83.01246	5.0
84.01608	2.1
84.99207	5.1
87.00751	56.9
88.01093	3.3
92.99677	2.1
94.13298	2.2
96.99262	2.1
99.00758	13.6
100.01086	5.4
100.98708	10.4
101.02338	4.5
103.00258	8.1
111.00761	3.2
112.01098	4.3
112.98714	17.2
115.00237	18.5
116.00577	13.1
117.00707	2.7
117.01814	7.1
124.98754	2.9
125.99006	3.2
127.00276	4.9
128.00592	3.5
129.01831	16.7
130.02150	3.1
130.99759	100.0
132.00153	2.4
137.05945	1.9
142.99750	6.8
144.00587	20.3
145.01334	60.6
146.01741	4.0
147.04431	2.8
156.00156	4.7
157.01337	22.3
163.07626	2.7
164.07062	5.6
177.01828	9.2
187.60039	2.5
192.04204	7.3
195.34784	2.3
206.04271	26.2
206.08168	3.6
207.06624	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
54.80199	0.5
58.02848	37.9
62.25806	0.5
62.62693	0.5
64.29684	0.5
70.02854	13.8
70.26316	0.5
71.38447	1.0
72.00777	5.5
85.45049	0.5
91.05410	9.4
100.62206	0.5
135.04404	2.1
147.04417	38.6
148.04723	3.0
162.09189	1.0
164.07082	100.0
165.07446	6.4
165.33002	0.6
177.01833	0.6
192.00510	0.9
192.04230	0.8
206.08167	37.4
207.06700	0.7
207.08357	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	206.0817
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
54.25428	0.4
54.73758	0.5
58.02849	100.0
59.01250	3.6
59.03191	1.7
60.19176	0.5
66.24966	0.5
69.27000	0.5
70.02851	4.0
71.38345	0.9
72.00784	2.3
91.05424	3.2
92.03890	0.5
135.04402	1.1
136.05025	0.6
141.32463	0.6
147.04419	12.6
148.04794	1.2
162.09177	0.7
164.07082	56.2
165.07437	4.1
177.01849	1.2
192.04143	0.9
206.08167	31.4
207.05072	0.8
207.08551	2.4
207.10400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
56.79835	0.6
57.03324	6.5
58.00451	1.0
59.01245	1.6
61.98698	0.7
69.03336	2.5
69.38297	5.3
71.01253	14.0
71.04896	1.5
71.70065	0.7
73.02807	1.5
80.02550	1.9
81.03320	4.0
83.01252	14.6
83.04887	5.3
84.02029	1.1
87.27135	0.7
92.99714	1.4
93.03332	1.8
93.06923	0.6
94.02862	1.8
95.04897	3.1
97.02825	1.1
97.06474	6.0
106.04125	1.2
109.06488	1.3
111.08031	3.2
112.01578	0.8
121.01972	1.2
121.02848	20.8
122.03130	0.9
123.08058	2.7
124.03973	3.4
125.05960	0.9
125.09618	16.9
134.03625	0.7
135.08032	2.2
137.09624	1.0
139.54807	0.7
145.10161	1.6
147.11697	2.4
151.11189	20.8
152.11484	1.5
153.12791	2.0
163.11186	11.7
164.11537	1.2
165.05515	0.9
165.12759	18.5
166.13148	1.5
173.09653	1.8
178.06284	0.7
179.10695	5.0
181.12257	27.1
182.12582	2.2
191.10727	16.2
192.11118	1.5
209.04472	2.1
209.11778	100.0
210.12123	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66172	0.6
55.01756	7.9
57.03325	20.3
58.02841	1.9
58.03661	1.1
59.01266	4.4
65.01311	1.2
65.99735	1.1
67.01763	4.0
68.01281	0.7
68.99689	1.3
69.17950	5.9
71.01256	35.3
72.01604	1.1
72.99174	3.6
73.02832	4.0
75.00747	7.1
83.01257	21.3
84.01597	0.8
84.02045	3.0
85.02825	100.0
85.99975	1.8
86.03151	3.3
87.00771	2.8
88.01563	1.6
88.10828	0.6
90.78606	0.5
97.03995	0.6
99.00739	2.5
99.92992	0.6
101.02325	14.9
103.03867	3.6
109.03961	0.6
111.00768	56.5
112.01127	2.6
115.00263	2.0
117.03466	0.6
119.02458	0.6
119.52558	0.7
120.05592	0.7
121.03956	0.7
121.05111	1.3
129.01839	7.3
133.02841	0.6
134.03477	0.7
135.05550	0.7
136.04997	1.3
137.03459	0.7
142.99762	0.7
143.03395	0.8
147.04388	1.5
148.05045	1.0
154.99756	0.8
159.02893	0.6
161.02353	1.1
161.04453	5.3
161.05959	1.4
162.06723	0.7
163.06125	1.1
163.11176	0.8
164.04524	0.6
164.07028	2.7
173.00818	0.9
177.01750	0.7
178.06131	1.7
187.02449	1.3
187.03922	0.6
187.11165	0.7
187.39359	0.5
190.09949	0.9
203.10526	0.8
205.01749	0.6
205.03432	18.4
205.04990	1.8
205.06917	1.2
205.08641	1.6
205.12302	5.2
205.15866	3.0
206.03940	1.3
206.08189	1.8
206.12508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	0.9
55.01757	7.1
57.03316	1.7
57.59945	0.7
58.00480	3.9
59.01252	73.0
60.99183	1.9
65.00211	1.0
67.01759	1.9
68.99683	12.5
70.99290	1.1
71.01254	91.2
72.01600	1.7
72.99181	42.2
73.02824	10.8
73.99512	0.7
75.00746	39.8
82.50063	0.7
83.01256	12.8
84.99174	3.1
85.02827	2.5
85.96411	0.6
87.00751	53.5
88.01057	0.7
88.98689	0.7
89.02319	6.1
96.99197	8.2
98.00014	1.6
99.00756	31.9
100.01099	1.0
100.98692	2.1
101.02319	8.3
103.00256	8.8
111.00762	15.2
111.01479	1.4
112.98694	4.5
115.00261	100.0
116.00608	3.4
117.01817	14.6
118.02226	0.8
124.98701	14.7
125.02338	1.5
125.99511	0.9
127.00259	12.7
129.01833	15.2
130.99754	11.5
131.03416	1.0
133.01302	0.9
142.99767	23.7
144.00519	2.9
145.01331	19.5
146.01654	1.0
154.99782	16.6
156.00101	0.9
157.01338	5.1
159.02927	1.4
169.01303	1.4
173.00829	5.2
175.02348	8.0
187.02516	0.8
205.03401	4.9
205.05107	0.6
206.04297	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92565	0.7
53.55900	0.6
55.01507	0.9
55.01759	6.8
57.03324	18.6
58.02839	2.3
59.01247	5.1
62.86008	0.6
65.99718	1.3
67.01752	2.7
67.02898	0.6
68.99684	2.4
70.57828	2.2
71.01253	31.2
72.01600	0.7
72.99173	5.4
73.02822	4.0
75.00740	6.4
83.01260	20.1
83.02357	0.9
84.02032	3.2
85.02824	100.0
85.99969	0.9
86.03168	2.5
87.00749	2.8
90.93383	0.6
93.03362	0.9
99.00739	2.0
101.02326	15.2
103.03870	2.6
109.03931	0.8
111.00765	53.0
112.01105	2.4
115.00268	3.8
119.02361	0.9
121.03925	0.9
121.05081	2.0
122.03554	0.8
129.01833	8.3
133.02788	0.9
134.03557	1.3
135.05556	0.8
136.05058	0.8
142.99719	0.8
147.04411	1.2
148.05103	0.8
154.99768	1.3
161.02405	0.7
161.04465	4.1
161.05995	2.0
162.06490	1.0
163.11121	1.0
164.04671	1.0
164.07062	3.6
173.00916	0.7
177.01814	1.1
177.05473	0.9
178.06139	1.7
187.02390	1.5
187.03951	1.5
205.01442	1.9
205.03476	19.5
205.05067	3.2
205.08670	1.7
205.10469	0.6
205.12279	3.0
205.15967	5.3
206.08264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.2
58.00463	4.6
59.01249	55.1
60.01586	1.8
60.99158	2.0
64.33763	1.5
65.71635	1.4
66.99881	1.5
68.99680	8.4
71.01254	84.7
71.31463	1.9
72.01594	1.4
72.99181	46.9
73.02811	10.8
73.99546	1.7
75.00748	39.8
83.01253	11.8
84.99206	1.6
85.02827	3.9
87.00748	42.0
89.02314	5.8
96.99192	5.4
99.00761	34.6
99.01361	3.0
100.98710	2.5
101.02343	8.4
103.00256	7.5
111.00764	15.4
112.98695	5.6
115.00259	100.0
116.00632	2.8
117.01836	12.1
124.98685	13.5
125.02322	2.6
127.00283	11.0
129.01831	15.5
130.99760	17.4
142.99768	26.8
144.00386	2.2
145.01328	26.9
147.49722	1.5
154.99767	16.4
157.01350	6.1
159.02873	2.7
161.02402	1.5
169.01288	1.8
173.00829	4.1
175.02402	10.1
203.55150	1.5
205.03296	7.3
205.05150	3.3
205.15930	4.2
206.04297	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	204.027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	9.0
58.00475	4.7
59.01253	60.1
60.99171	4.6
65.00200	1.1
67.01778	1.9
68.99692	16.4
70.98640	1.9
70.98960	1.1
71.01254	97.0
72.99183	58.4
73.02819	10.3
75.00748	44.1
83.01257	13.6
83.49654	0.9
84.99196	1.0
85.02823	4.1
85.99979	3.2
87.00751	59.8
88.98654	1.4
89.02328	3.9
96.99187	9.1
97.99978	2.1
99.00764	36.9
100.98674	15.6
101.02317	7.9
103.00256	6.6
105.01822	15.0
111.00768	16.5
112.98698	7.6
113.02302	1.4
115.00262	100.0
116.01065	2.5
117.01826	15.1
119.62513	0.9
124.98693	15.6
125.02346	2.9
125.99503	2.0
127.00271	18.0
128.73430	1.1
128.98149	1.2
129.01840	14.8
129.98967	1.0
130.33942	1.3
130.99782	2.8
136.00584	0.9
141.98958	1.5
142.99782	22.5
145.01341	22.0
154.99770	18.3
157.01373	3.3
161.05966	1.4
169.01366	1.9
170.99237	1.1
173.00812	5.9
174.01636	4.5
175.02405	7.3
178.85039	1.0
187.02429	4.3
195.03282	1.0
204.02695	12.1
205.03423	4.9
205.05106	1.9
205.08760	2.0
205.15889	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	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.33194	0.5
57.03317	0.7
59.01241	1.8
65.01311	0.9
65.99727	1.1
66.21564	0.6
68.82320	0.5
69.35719	4.0
71.17891	0.6
85.06525	0.6
91.02859	0.5
98.19823	0.9
103.91927	0.5
109.00249	0.6
110.05388	0.5
120.05612	0.6
125.09658	0.7
127.11189	12.4
128.11473	1.0
133.03961	0.8
134.03442	1.0
139.11156	0.9
155.10707	7.9
157.12256	52.4
158.12636	3.6
159.04364	1.1
160.03867	0.6
160.05078	0.8
176.04514	1.2
185.11711	1.2
189.27550	0.5
201.11205	1.5
203.03517	1.0
203.12823	100.0
204.13158	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1489
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01251	7.4
61.98708	0.3
65.01311	0.5
65.59056	0.3
65.99726	0.3
67.03644	0.2
71.01264	0.5
72.93732	0.2
73.02833	0.3
82.03969	0.3
83.11712	0.2
85.02813	0.4
87.04385	1.1
91.02900	0.3
97.02839	0.3
97.06435	0.3
99.51555	0.3
99.92470	1.0
106.03952	0.3
116.92664	0.3
119.02402	0.3
121.04067	0.3
125.09618	2.2
132.05605	0.6
133.04019	0.4
134.03531	0.3
139.11182	1.1
141.01765	0.3
141.93527	0.9
145.02829	0.6
153.12738	0.3
155.10635	0.3
155.14307	5.9
156.14641	0.6
158.89201	0.3
159.02975	0.3
159.06595	0.5
160.05009	0.5
164.83511	0.3
173.02354	1.0
173.06033	0.6
174.06641	0.3
175.06151	0.7
183.13805	2.5
184.14064	0.3
199.13332	0.5
201.01930	1.6
201.05501	1.0
201.07639	0.9
201.11189	3.0
201.14888	100.0
202.05075	0.6
202.07378	0.7
202.15230	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	201.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.0
59.01254	10.0
65.01326	1.7
65.99719	0.6
69.03329	1.5
69.34556	4.0
71.04896	0.6
80.02529	0.5
81.04418	0.6
82.03983	0.9
83.04895	1.0
87.04379	2.3
95.04887	1.5
97.06474	14.0
98.06808	0.9
98.19769	1.0
99.92459	0.9
103.84069	0.4
106.03996	1.3
108.98409	0.5
109.03988	0.6
119.02440	0.5
120.05521	0.5
123.08040	8.7
124.08397	0.5
125.09614	100.0
126.09954	6.6
127.11191	1.0
130.03993	0.6
132.05582	1.9
133.04021	0.7
133.05019	0.6
139.11188	2.0
141.93565	1.3
142.04106	0.6
145.05243	0.5
148.05096	0.8
157.05157	0.7
158.03513	0.6
159.02907	0.5
159.06653	0.9
159.89267	0.7
160.05046	1.0
164.83441	0.6
169.08600	3.7
171.10167	0.6
173.02328	1.5
173.06018	0.5
174.06628	1.9
175.06186	1.9
183.10146	1.0
187.09718	1.4
201.01907	3.4
201.03894	0.8
201.05556	1.2
201.07701	2.1
201.11266	17.3
201.14874	0.7
202.05128	0.6
202.07246	1.3
202.11401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03318	3.1
59.01239	2.7
65.01308	2.2
65.99706	1.1
69.03333	1.9
71.01290	0.7
71.04892	1.6
71.51529	1.0
72.99183	33.1
82.03983	1.4
83.04870	0.9
87.04374	2.9
91.68314	0.8
93.46130	0.7
96.11082	0.6
106.04000	1.0
107.08553	2.9
109.06450	0.9
119.02390	0.9
120.05550	0.9
121.10156	0.9
123.64937	0.7
125.09593	5.6
127.11182	2.2
130.04021	1.0
131.03589	0.9
132.05591	1.2
133.03978	1.6
133.05003	0.7
134.03485	0.7
135.08012	1.2
137.09621	1.5
139.11208	4.3
148.05066	1.3
155.10684	11.2
159.06723	0.8
165.09167	1.7
173.02374	1.5
174.03033	1.0
174.06621	1.4
175.06148	1.1
183.10181	46.0
183.66034	0.7
184.10558	3.9
195.55394	0.9
199.33795	0.7
201.01903	3.5
201.11255	100.0
202.05037	1.0
202.07379	1.0
202.11583	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	199.1334
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03301	0.4
57.31155	0.3
57.46121	0.3
59.01250	1.3
60.39160	0.3
61.98708	0.7
65.01321	1.1
65.45904	0.3
65.99714	0.5
67.01771	3.5
68.99671	0.6
69.03338	0.7
71.01254	0.6
71.04877	0.6
72.99173	0.3
73.02822	0.5
83.01241	0.8
83.04888	1.1
85.02814	0.6
85.34768	0.4
89.01337	0.4
92.99705	3.7
95.04877	0.5
99.00766	1.8
99.04380	0.6
99.08044	0.8
106.03979	0.6
111.00758	1.7
111.08025	0.8
112.17381	0.4
113.02325	0.8
123.18558	0.4
127.00276	0.5
127.03915	0.6
130.03983	0.5
131.03511	0.5
136.98709	1.2
137.05971	0.7
137.09593	0.9
139.03928	0.4
141.12738	1.4
146.03481	0.7
153.12712	0.7
154.99763	0.6
155.07076	0.6
155.10689	4.3
157.05125	0.4
162.83844	0.8
163.11182	1.3
164.83492	0.8
169.12259	7.7
170.12598	0.7
172.05054	0.7
173.04584	0.8
180.97664	0.5
181.05042	0.5
181.12267	21.4
182.12625	1.5
197.10193	0.4
197.11780	2.2
199.06122	2.5
199.09602	2.4
199.13338	100.0
199.80362	0.9
200.13687	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.3
59.01254	1.4
65.00188	1.3
68.99677	0.3
69.03328	2.1
70.26821	0.6
71.01265	0.3
76.46524	0.2
81.03316	0.3
83.01269	0.2
83.04894	1.4
85.02843	0.2
95.01257	0.4
95.04951	0.3
97.02853	0.3
97.06473	0.5
98.02360	0.2
108.04406	0.3
109.02823	0.3
111.00778	0.3
111.04400	0.2
112.03925	0.2
121.02840	0.3
123.00790	1.5
123.04361	0.3
123.08076	0.4
125.02338	0.3
125.09616	0.6
126.90385	0.7
135.08031	0.2
135.11717	0.2
137.09630	0.3
138.03143	0.5
141.09131	1.1
151.11224	0.9
153.01828	0.4
153.05472	0.6
153.09126	2.0
153.12756	4.6
154.09508	0.3
154.13089	0.4
160.84134	0.4
162.83815	0.9
166.99753	1.3
167.10667	0.3
169.12262	18.5
170.12630	1.7
173.72084	0.2
176.98270	0.2
178.99777	2.5
179.10663	1.8
180.00148	0.4
182.02118	2.7
184.21022	0.2
197.00819	0.5
197.04695	1.0
197.11766	100.0
197.80739	0.6
198.07681	0.3
198.12099	9.0
216.04172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03318	0.2
59.01255	1.0
61.98704	0.1
65.00199	0.9
65.25272	0.1
68.99685	0.2
69.03326	2.1
70.85562	0.3
71.01251	0.3
71.04865	0.1
73.02776	0.1
80.02572	0.1
81.03359	0.2
83.01241	0.1
83.04898	1.2
84.31116	0.1
85.06498	0.2
95.01268	0.2
97.02859	0.1
97.06461	0.4
99.08028	0.1
109.02817	0.2
109.06457	0.2
111.04388	0.2
121.02845	0.2
123.00759	1.1
123.08079	0.4
125.02396	0.2
125.05929	0.2
125.09600	0.4
126.90289	0.2
135.08018	0.2
135.11674	0.2
137.09656	0.2
138.03113	0.3
141.09119	1.1
142.09428	0.2
151.00230	0.2
151.11180	0.8
153.01823	0.2
153.05449	0.2
153.09137	1.6
153.12764	4.4
154.09462	0.1
154.13104	0.3
160.84160	0.2
161.09560	0.2
162.83810	0.7
166.99753	0.7
167.01067	0.1
167.10664	0.3
169.12256	18.6
170.12592	1.7
176.55176	0.1
178.99777	2.3
179.10698	2.1
180.00064	0.2
180.11113	0.2
182.02133	1.3
197.00821	0.5
197.11768	100.0
197.80684	0.3
198.12108	9.4
209.12697	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03327	0.5
59.01237	0.9
65.00195	0.8
67.01768	0.4
69.03320	0.8
69.53815	2.6
71.04879	1.3
83.04894	0.7
95.01261	0.5
97.06466	15.6
98.06810	0.6
99.08049	3.6
100.08379	0.6
109.02828	0.8
109.06499	0.7
111.08044	0.4
121.02892	0.6
122.03640	2.5
123.00788	2.3
123.04422	0.4
125.02325	0.4
125.09599	0.8
126.03111	0.8
135.00728	0.4
136.05179	0.4
137.02396	0.7
137.09639	2.1
138.03110	0.9
151.11200	0.9
153.05545	0.7
153.12758	100.0
154.13094	8.9
160.84065	0.8
162.83841	1.5
166.99805	1.4
169.12260	0.6
171.06625	0.4
178.99814	3.4
179.10695	22.6
180.11031	2.6
182.02153	3.3
197.00722	0.9
197.02217	0.5
197.04478	1.8
197.08096	1.1
197.11758	9.6
197.80763	0.9
198.07860	0.6
198.12091	1.0
218.31610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01249	0.1
59.74937	0.2
63.28953	0.1
65.00182	0.3
65.27611	0.1
67.01768	0.1
71.52296	0.2
77.71808	0.2
79.58675	0.2
83.04893	0.2
89.00193	0.2
94.02926	0.1
94.04060	0.1
95.01269	0.2
95.04929	0.1
97.02840	0.2
99.08048	0.3
103.91951	0.2
107.01280	0.2
108.02064	0.2
109.02850	0.2
109.06472	3.9
110.02362	0.3
110.05983	0.2
110.06816	0.3
111.08038	4.1
112.08385	0.2
121.02842	0.5
122.03646	0.7
123.00755	0.5
123.04404	0.5
125.02342	0.3
125.09647	0.8
135.04495	0.2
135.11696	0.4
136.05193	0.3
137.02379	0.4
138.06772	0.3
139.07536	0.3
150.03085	0.6
151.03889	0.8
151.07564	0.5
151.11203	0.5
160.84106	0.8
165.01854	0.7
165.05536	0.4
165.12764	0.2
167.14326	6.5
168.14676	0.6
176.98239	0.3
177.05620	0.2
179.10703	5.1
180.04218	1.1
180.11169	0.7
183.13812	0.3
194.99271	0.4
195.02899	0.6
195.06763	1.2
195.13841	100.0
195.81055	0.4
196.06155	0.2
196.14183	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20244	0.6
56.23142	0.5
57.03318	5.1
59.01253	1.1
65.95082	0.5
67.01755	2.2
68.28180	0.5
71.06723	0.8
71.54982	0.5
72.17841	0.6
85.02824	33.6
86.03146	0.6
87.00752	51.0
88.01084	1.2
93.03343	1.4
101.02350	0.9
111.00764	100.0
112.01102	5.0
129.01834	4.9
130.99753	0.8
135.87386	0.6
146.99448	0.6
154.99826	0.7
170.14095	0.6
173.00908	1.1
176.01073	0.9
191.01901	7.0
191.03619	0.9
191.05522	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	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03315	1.1
59.01242	1.6
65.01332	0.3
67.01772	0.6
69.03316	0.4
69.43416	0.4
69.43825	1.6
71.01263	0.5
77.46794	0.2
81.03378	0.3
82.83539	0.2
83.04915	0.5
85.02823	10.7
86.03172	0.3
87.00750	9.2
93.03334	3.0
109.02872	0.6
111.00769	14.3
111.04378	0.6
112.01120	0.7
119.04922	2.1
120.05254	0.3
121.02844	100.0
122.03173	5.8
127.03925	1.3
129.01843	0.8
135.04408	0.5
138.48978	0.2
147.04413	7.4
148.01529	0.3
148.04962	0.4
149.04523	0.3
154.99725	0.2
158.14525	0.2
158.85062	0.2
163.03966	0.7
170.71042	0.2
171.02939	0.3
173.04427	0.4
176.01102	1.6
191.01872	1.5
191.03487	7.3
191.05551	28.5
191.06836	1.2
191.10719	0.6
192.03847	0.7
192.05995	1.5
200.16586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48835	0.2
57.03327	6.8
59.01246	1.2
67.01761	2.3
69.39768	0.6
69.40185	1.0
71.01260	0.8
73.02803	0.3
85.02824	33.4
86.03145	1.2
87.00751	51.8
88.01081	1.4
93.03325	0.9
99.00771	0.3
101.02339	0.7
103.03880	0.4
111.00767	100.0
112.01105	4.3
112.98671	0.5
117.01819	0.3
120.47942	0.2
127.03907	0.5
129.01836	5.1
130.99756	0.5
147.02916	0.5
154.99760	0.6
171.02890	0.3
173.00838	1.3
173.04440	0.4
191.01913	7.2
191.05540	15.8
192.02252	0.4
192.05890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
52.16650	0.7
54.43938	0.7
56.95618	0.6
57.03324	4.1
59.01251	27.7
61.07196	0.6
65.01320	0.6
67.04032	0.6
67.70295	0.7
69.03341	0.9
69.08511	0.6
70.00909	0.8
70.08787	0.6
70.70109	2.1
97.06466	14.0
97.36574	0.7
99.08029	9.9
113.59312	0.7
123.08037	6.2
125.09612	100.0
126.09933	7.5
127.07538	2.7
133.03943	1.3
143.10699	2.6
145.08607	32.3
146.08989	1.5
160.05070	2.3
169.08633	2.7
187.06190	1.9
187.09680	37.3
188.10072	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	191.0191
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
50.26305	0.3
57.03324	3.6
59.01245	0.6
59.23064	0.2
67.01748	1.3
70.85844	0.4
70.86153	0.4
72.99187	0.4
85.02824	21.4
86.03149	0.5
87.00749	34.6
88.01109	0.8
93.03287	0.4
101.02321	0.8
103.03885	0.4
111.00764	100.0
112.01096	4.4
122.07906	0.3
129.01823	7.9
129.27548	0.3
130.99763	1.2
146.60942	0.3
147.02892	0.8
154.99756	0.9
166.47383	0.3
173.00858	3.1
191.01904	16.3
191.05510	5.9
191.07127	0.5
192.02232	0.6
199.59001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0241
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
55.01762	19.3
57.03332	5.6
58.02840	2.0
59.01248	12.7
64.22319	1.9
65.00195	7.9
67.01749	3.7
68.99686	30.3
70.41887	4.8
71.01254	99.1
72.99193	10.5
73.02811	3.9
75.00735	8.4
83.01263	28.9
84.01590	2.9
85.02811	6.8
85.78447	2.1
89.02320	16.7
89.17696	1.9
95.13695	2.3
96.74281	2.1
96.99196	12.0
97.06502	4.0
97.99977	6.8
98.02358	2.9
99.00761	100.0
99.04392	2.9
101.02322	12.8
102.05500	11.5
103.00266	3.3
111.00742	11.5
113.02320	2.0
117.01820	6.3
124.98690	4.7
125.02291	13.1
125.09619	27.7
125.99502	9.7
127.00263	55.5
128.03401	10.9
129.01828	8.1
136.98712	3.3
141.01906	4.1
142.99767	5.2
144.06479	2.7
145.01358	4.1
154.99765	24.1
157.01343	5.7
158.02092	4.0
159.02844	2.9
169.01324	22.4
170.04463	2.8
181.07716	2.1
187.02414	34.8
187.03917	4.1
187.06081	2.8
187.09625	13.1
188.03049	6.4
188.05656	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	185.1177
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03316	3.7
59.01249	4.3
65.01324	8.0
65.99713	5.2
66.00843	1.2
68.19993	1.3
68.99709	1.7
69.03319	1.4
69.47214	11.1
70.13632	1.1
71.04887	2.5
72.99171	1.7
73.02831	1.7
81.04428	1.5
83.04888	1.8
85.02820	2.2
85.06465	2.4
87.00737	3.4
89.01324	2.8
90.00881	1.4
91.02911	4.0
96.99211	1.5
97.02802	1.6
97.06469	2.6
107.09221	1.3
115.02893	2.5
115.27412	1.4
116.02418	5.2
117.01927	1.4
118.03953	1.4
121.05113	7.6
123.08055	4.1
130.04013	2.1
131.03531	2.0
132.05589	2.8
133.03951	1.5
139.10135	2.9
139.11180	41.2
140.11501	4.3
141.05478	2.0
141.09114	9.0
141.12752	2.1
141.48494	1.3
142.03992	2.2
143.03529	1.7
144.01892	3.0
144.05569	5.3
145.02733	2.4
145.05145	1.4
155.10719	1.7
157.05078	2.7
158.03476	11.7
158.04536	2.1
158.07138	2.2
159.03000	2.9
159.05519	2.4
159.06689	3.4
167.10635	1.8
185.00858	1.6
185.04610	8.6
185.08302	8.3
185.11752	100.0
186.05385	2.5
186.07793	5.2
186.12166	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01238	0.9
65.01297	0.5
67.01748	0.9
68.99688	1.0
69.03316	1.0
90.73479	0.4
93.03319	0.6
94.02861	0.4
95.01257	1.1
98.20554	1.3
98.91023	0.4
111.00758	1.0
111.04409	0.5
112.03960	1.0
119.59992	0.4
121.06475	1.2
124.01583	0.6
124.03932	0.5
130.04002	0.4
139.00232	0.6
139.07561	0.9
139.11200	0.5
140.07069	0.6
143.04852	0.6
152.98190	0.5
156.05606	0.9
157.05089	1.2
164.98067	0.6
168.00566	1.1
183.02950	1.0
183.06638	2.3
183.13826	100.0
184.06093	1.4
184.14162	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	185.021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.6
61.30451	0.3
62.09311	0.3
69.84784	0.3
69.95278	0.4
72.30833	0.3
78.95776	81.3
83.01243	0.4
85.06454	0.4
96.99208	0.4
97.06456	0.7
110.98415	100.0
111.98784	0.6
112.98675	1.4
113.02355	0.4
118.21319	0.4
141.09117	2.0
141.12646	0.4
152.98332	0.4
152.99481	5.5
166.99747	0.6
185.02141	22.2
185.08112	0.4
185.11739	2.2
185.15433	1.1
186.02534	0.8
186.05568	0.3
186.07677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.004
Annotation	2,4-Dinitrophenol
Peak:m/z	Relative Intensity
50.00232	0.3
51.02264	0.4
53.66338	0.3
55.01739	0.4
56.58265	0.2
57.03310	0.7
58.02851	0.6
59.01244	1.1
59.92927	0.3
64.01785	0.7
65.01317	1.4
65.99722	0.6
66.00985	0.3
66.43995	0.3
67.01766	2.7
68.01285	0.6
68.99699	1.8
69.03325	1.8
71.01263	0.5
71.52156	0.3
79.01777	0.4
80.04208	0.3
81.03313	0.3
82.21616	0.2
83.01249	0.5
83.04900	0.8
85.02818	0.4
86.02331	0.4
89.01308	0.8
90.00866	0.4
91.02885	0.5
92.99705	0.4
93.03381	0.5
95.01266	11.5
95.04898	0.6
96.01591	0.4
96.18045	0.3
97.02837	1.5
97.06482	0.3
98.02332	0.5
105.04460	0.3
106.04008	0.3
107.01862	0.3
108.04387	0.4
109.01590	0.8
109.02834	0.4
111.00764	1.5
111.01922	0.4
111.04404	0.6
111.08008	0.5
112.03945	0.7
113.02334	0.3
115.02924	0.8
116.02430	0.4
120.00794	0.3
121.06493	0.9
122.02370	0.5
123.00769	23.1
123.04472	0.5
123.08028	0.4
124.01114	1.0
124.03946	0.5
125.01077	2.2
125.02386	0.4
129.04568	0.4
130.04004	0.7
137.01100	0.5
137.02338	0.6
137.09621	0.4
139.00255	1.1
139.07568	0.7
139.11206	1.0
140.01140	0.3
140.07036	0.5
141.01903	0.4
142.03993	0.8
143.03534	0.4
143.04776	0.7
144.04318	0.7
153.00587	22.3
154.00941	0.8
155.03508	0.5
156.05577	3.2
157.05098	3.4
164.98158	0.5
165.01852	1.1
168.00555	1.1
175.03702	0.4
183.00400	100.0
183.06647	4.1
183.10173	3.8
183.13876	0.5
184.00752	5.6
184.03333	0.4
184.06169	1.2
185.33322	0.3
197.74217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0319
Annotation	2-dehydro-3-deoxygalactonate
Peak:m/z	Relative Intensity
55.21364	2.4
57.03332	3.0
59.01254	24.5
60.01574	4.9
63.09283	2.2
65.59084	2.2
68.99702	4.7
69.81278	13.8
71.01250	28.8
72.01604	2.6
72.99188	11.4
73.02818	4.5
75.00752	13.8
83.01305	3.0
85.02828	5.2
87.00755	100.0
87.04417	4.2
88.01063	2.4
89.02321	6.9
91.85420	2.3
99.00763	17.6
100.98669	4.7
103.00252	3.3
104.02579	2.6
105.01828	4.6
115.00285	9.3
115.03915	2.3
116.00613	2.6
117.01766	5.2
129.01862	8.5
130.99756	14.9
133.02838	8.2
133.04887	3.3
133.06506	6.0
136.56421	2.6
145.01337	6.8
149.02350	4.6
161.00908	2.9
162.03146	32.3
176.03276	7.9
177.01846	25.5
177.05467	13.7
177.07596	5.2
177.09041	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	175.024
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01763	0.6
55.48906	0.4
57.03318	1.3
58.00458	1.3
58.16325	0.3
59.01251	26.0
65.01309	1.3
65.99733	0.8
66.51956	0.4
67.01740	1.0
67.02882	0.4
70.89982	0.8
70.90316	0.7
71.01252	38.2
72.01576	0.9
72.99186	4.4
73.02811	2.8
75.00741	0.5
76.34512	0.4
80.28766	0.4
83.01257	1.8
85.02826	3.1
87.00749	83.0
88.01085	2.2
92.02407	0.6
99.00787	0.8
101.02337	1.2
106.04020	1.0
112.98683	2.3
113.02345	0.9
115.00254	100.0
116.00606	3.8
121.09117	0.4
127.00271	1.0
128.86270	0.4
133.04013	0.5
133.05118	0.6
134.03497	1.4
145.05060	0.5
148.05092	1.0
175.02409	22.4
175.03738	0.8
175.06148	1.5
175.09514	0.5
176.02760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0241
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03324	1.2
58.00462	1.4
59.01249	27.3
64.01778	0.8
65.01328	5.6
65.99742	2.6
66.00832	0.7
66.03355	0.7
67.01752	1.8
67.02876	0.9
68.01299	0.7
68.99702	0.7
69.49457	1.0
69.49861	2.8
71.01255	40.6
72.01603	0.7
72.99185	5.0
73.02819	3.7
75.00742	1.0
77.01350	0.5
80.04929	0.5
81.03354	0.7
81.04450	1.4
82.03997	0.9
83.01253	2.0
83.02410	0.7
83.04900	0.8
85.02824	3.7
85.06458	1.2
85.28127	0.5
87.00751	99.3
88.01096	1.7
91.02895	2.4
92.02426	1.9
93.03328	1.8
95.02380	0.6
98.20148	1.9
101.02324	1.2
105.04491	2.9
105.25424	0.5
106.04021	3.8
107.02406	1.9
109.03954	0.9
111.30096	0.5
112.98688	3.0
113.02319	1.6
113.05955	0.8
115.00259	100.0
115.03892	1.7
116.00609	3.0
118.04015	1.3
120.01918	0.7
121.03963	1.2
122.02438	0.6
122.03471	0.7
127.00269	1.3
130.04077	0.8
131.03525	0.6
132.01979	0.7
132.05614	2.1
133.03990	3.2
133.05084	2.9
134.03496	8.7
141.16193	0.5
145.05098	0.8
147.04445	1.3
148.05093	4.8
149.03481	1.3
149.04605	0.6
157.05127	1.0
174.88885	3.1
175.02440	23.9
175.03888	2.7
175.06169	6.4
175.07599	1.6
176.03302	0.8
176.04634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	72.4
65.57780	5.8
68.99692	19.1
70.71152	18.1
71.01257	48.9
72.99187	16.8
75.00756	13.0
85.02831	6.7
87.00764	35.3
89.28501	6.1
96.99204	16.6
97.57124	5.4
100.98692	100.0
110.99347	6.9
115.00255	31.6
115.03899	8.8
122.19723	5.9
124.98700	24.1
127.97421	75.1
142.99774	13.0
175.03938	6.4
175.06075	15.4
193.37398	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	175.0241
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
51.35136	3.6
55.79692	2.8
58.00474	7.7
59.01253	100.0
60.99161	3.3
68.99696	9.2
69.57895	12.5
69.58305	9.2
71.01254	91.2
72.99181	14.5
73.02823	3.8
75.00757	12.8
78.86202	3.2
80.99690	3.1
85.02850	4.1
85.26517	3.6
87.00751	67.2
93.03348	4.1
96.99204	11.3
99.00801	7.7
100.98676	24.4
101.02337	5.0
115.00257	76.4
115.03889	7.6
117.01808	11.4
124.98708	41.7
127.97421	13.1
129.01846	5.2
130.99763	6.3
142.99762	16.5
175.02446	8.0
175.03844	3.8
175.06073	6.4
176.07162	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	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03310	1.1
58.00462	0.9
59.01253	22.6
62.72759	0.4
65.01318	5.2
65.99723	2.8
66.03334	0.7
67.01749	1.7
67.02878	1.0
68.01275	1.1
69.70659	0.4
71.01254	40.0
72.01553	0.9
72.99179	6.1
73.02818	3.8
75.00761	0.8
77.01320	0.5
81.04440	1.2
82.03962	0.6
83.01254	2.0
85.02831	3.6
85.06464	1.4
87.00752	100.0
88.01093	2.7
91.02891	2.5
92.02438	1.1
93.03333	1.4
95.01289	0.5
95.02367	0.5
95.03857	0.6
99.00758	0.9
101.02332	1.0
105.03212	0.7
105.04482	1.3
106.04008	2.4
107.02409	1.3
108.05551	0.7
109.03931	0.6
110.03568	0.5
112.98672	2.7
113.02306	1.4
113.06007	0.7
115.00260	97.7
115.03918	2.7
116.00590	3.5
118.04002	1.5
119.02415	0.9
119.04916	0.6
120.01954	0.7
120.05574	0.8
121.03957	1.5
122.02354	1.1
122.03431	0.5
127.00260	0.9
130.04019	0.6
131.04933	1.1
132.05598	1.5
133.02867	0.5
133.03993	1.7
133.05113	2.4
134.03514	6.0
135.01863	0.7
145.05121	1.4
147.04408	1.5
148.01483	0.7
148.05054	4.3
149.03456	1.4
157.05090	1.4
158.03525	0.5
174.88930	1.4
175.02440	20.5
175.03870	2.6
175.06171	6.9
175.07584	1.1
176.01192	0.6
176.03230	1.6
176.04634	1.0
176.07050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1176
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
56.85242	0.4
57.03316	0.4
58.50543	0.3
59.01253	0.5
65.01315	0.8
67.01768	3.4
67.02935	0.4
69.03332	1.0
71.01254	0.8
73.02811	1.2
85.02802	0.4
93.03339	14.4
94.03676	1.1
99.00773	0.8
111.00750	0.4
111.04375	2.0
111.38417	0.4
119.02396	0.5
120.63328	0.5
125.09628	0.8
127.11186	13.4
128.11531	1.0
130.04111	0.4
131.03551	0.4
137.02321	0.4
143.03610	0.4
146.03490	1.0
155.10681	3.2
171.10213	1.6
173.04535	1.9
173.11754	100.0
174.12088	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	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00186	1.4
55.01759	8.3
57.03323	6.4
58.00458	0.8
58.02854	3.5
59.01250	4.4
60.99172	1.3
65.03812	0.6
67.01761	11.4
68.99695	4.1
69.03322	1.5
69.46234	1.6
69.46653	1.3
71.01252	100.0
71.04895	0.4
72.01593	2.4
72.01943	0.4
72.99175	8.2
73.02820	15.7
74.03172	0.7
75.00739	1.1
75.69025	0.4
80.99687	1.0
81.03334	1.9
82.22843	0.4
83.01254	9.7
83.04903	4.9
84.01603	0.4
85.02823	44.4
85.99980	0.4
86.03168	1.6
86.06012	0.4
87.00746	4.7
87.05501	0.4
90.33079	0.4
93.03333	40.7
94.03630	2.0
96.99200	3.6
99.00757	35.3
99.04382	3.5
100.01081	1.1
100.98665	0.5
101.02328	1.8
109.02853	0.7
111.00764	61.1
111.04401	10.7
111.08044	1.4
112.01125	3.0
112.04727	0.5
112.98692	13.7
113.02347	0.5
113.99026	0.6
115.00259	5.1
120.74320	0.4
124.98699	27.0
125.99038	0.7
125.99481	0.7
127.00238	0.4
128.07043	1.1
129.01833	7.7
129.05467	0.7
130.02087	0.4
131.08107	2.0
132.06570	0.6
137.02348	5.7
142.99763	43.1
144.00095	2.1
145.01247	0.5
145.02892	0.7
154.99759	3.8
155.03394	2.2
156.06580	0.6
173.00832	10.4
173.02338	0.6
173.04489	3.5
173.09262	1.0
174.01411	1.5
174.07634	0.9
194.15927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01762	4.9
57.03319	6.7
58.00467	1.0
59.01246	5.6
60.99174	3.3
65.38277	0.6
67.01757	28.7
68.02099	1.3
68.99683	2.1
69.03320	5.7
70.42918	1.7
70.43277	1.0
71.01253	49.1
72.01591	1.5
72.99181	9.0
73.02818	12.7
75.00740	2.9
79.43675	0.6
80.03841	0.5
80.99700	1.0
81.03327	3.1
83.01252	5.2
83.04899	5.2
85.02811	7.9
87.00767	4.1
90.18531	0.8
93.03332	100.0
94.03662	5.5
95.01271	0.8
96.99192	1.7
97.02811	0.9
99.00753	18.2
99.04391	2.3
100.98678	2.8
101.02315	1.9
105.29449	0.7
109.02870	0.9
111.00758	48.6
111.04398	13.6
111.08038	3.8
112.01089	1.8
112.98644	3.3
113.02343	0.7
115.00246	4.9
124.97777	0.8
124.98692	14.2
129.01888	3.2
137.02319	2.9
140.98238	0.8
142.99757	16.3
143.99998	0.6
145.01346	1.7
145.02827	0.8
154.99748	3.2
155.03398	1.7
173.00835	5.4
173.02330	1.6
173.04486	6.8
173.05884	1.4
173.08090	1.9
173.11734	1.5
174.01393	1.0
180.28059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	0.7
55.01762	3.9
57.03323	5.6
58.00451	0.9
59.01250	3.3
60.99183	3.2
65.03832	1.6
66.03362	23.2
67.01762	27.9
67.03701	1.1
67.16814	0.5
68.01279	1.6
68.99696	2.9
69.03331	4.1
71.01252	28.5
71.04904	0.6
71.51379	0.6
72.99178	13.6
73.02820	16.4
75.00730	1.0
78.68014	0.5
81.03332	2.9
82.02859	5.3
83.01253	6.5
83.04900	7.0
85.02825	9.6
87.00750	33.9
88.01077	0.7
93.03335	100.0
95.01239	0.8
96.99202	1.6
97.02794	0.6
98.02348	0.5
99.00759	13.3
99.04385	4.0
101.02338	1.6
109.02825	1.4
110.02366	38.7
111.00765	58.7
111.02707	1.7
111.04404	14.7
111.08005	2.4
112.00290	7.1
112.98684	1.7
113.02343	0.7
115.00248	5.3
124.98692	6.4
127.00269	4.0
128.03429	1.2
128.07056	1.4
129.01807	2.9
129.09117	0.8
130.08644	1.2
137.02333	5.3
142.99771	6.5
143.03398	1.0
145.02843	1.0
154.01318	0.6
154.99767	5.6
155.03348	2.7
172.02432	7.0
172.03850	0.5
172.06033	1.0
172.10497	1.3
173.00934	3.3
173.02473	1.4
173.04460	8.9
173.05865	0.4
173.08127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.61868	0.4
59.01248	0.7
65.00190	0.9
65.01315	3.6
69.80427	3.1
69.93342	0.4
71.01225	0.5
73.40924	0.5
74.81113	0.4
78.70290	0.5
79.52248	0.5
81.04440	0.9
85.02795	0.6
89.01329	1.8
91.09992	0.5
99.00741	0.6
99.04385	0.6
99.08039	1.0
104.26031	0.5
105.04472	2.2
106.04000	1.0
109.02831	1.1
112.78701	0.5
115.91960	0.9
123.08064	0.9
125.09615	3.5
127.07571	0.8
127.11178	6.2
128.11511	0.7
130.04021	3.0
131.11256	0.5
134.51909	0.5
144.01921	0.9
144.05556	3.9
145.03993	0.6
145.05045	0.7
152.98138	0.8
153.09090	1.6
171.01857	1.1
171.06793	6.2
171.10184	100.0
172.05061	1.3
172.06306	1.2
172.10544	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	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
52.21164	0.1
55.56038	0.1
65.00185	0.2
67.01764	1.0
68.99673	0.6
69.03326	6.0
70.03648	0.2
70.75479	0.1
70.75797	0.1
71.01260	0.4
79.01769	0.9
79.98945	0.1
80.02582	0.1
81.03326	1.7
82.02857	0.1
82.03683	0.1
83.01280	0.5
86.91309	0.1
95.01260	1.2
96.01591	0.1
96.99205	0.3
97.02830	5.2
98.03168	0.2
102.99205	0.3
107.01274	0.7
108.02052	0.2
123.00768	0.7
124.01559	1.7
124.27158	0.1
125.02336	100.0
126.02672	5.6
132.86703	0.1
134.86488	0.4
149.77910	0.1
150.97020	0.1
151.00255	0.2
169.01337	26.1
170.01677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallate
Peak:m/z	Relative Intensity
54.94897	1.9
55.01762	15.6
57.03325	36.1
65.00197	13.9
67.01758	4.7
68.99697	33.4
69.03334	4.4
70.52371	3.3
70.52727	3.9
71.01259	17.7
71.04873	2.1
78.95757	1.8
80.99685	3.5
83.01254	10.4
83.04899	1.6
85.02824	40.1
86.03178	2.0
87.97767	1.8
95.01288	2.8
97.02834	8.2
97.06480	3.0
97.99967	4.2
99.00758	63.1
107.04911	1.9
109.99995	21.1
111.00787	13.8
113.02332	69.6
114.02706	3.4
125.00845	5.5
125.02346	19.7
125.05958	5.8
125.09595	3.7
125.99489	20.9
126.98759	15.2
127.98824	2.9
137.99431	10.5
139.00250	11.1
141.01830	5.5
141.97493	2.9
153.98979	4.9
157.98470	4.0
168.99940	4.9
169.01335	100.0
169.05022	4.7
169.08649	3.0
170.01675	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	100.0
58.14436	0.4
59.03191	1.9
64.39288	0.3
65.00202	1.3
66.03358	1.6
66.58453	0.4
67.01751	0.4
67.73123	0.3
68.99701	0.7
69.02238	0.3
69.03320	0.9
69.20725	0.3
69.21078	3.6
70.02870	0.4
83.04939	0.4
93.81680	0.4
96.99174	0.5
97.02835	3.4
98.19833	0.8
107.04931	0.4
108.04427	0.5
109.02372	0.5
123.04433	0.7
125.02339	14.2
125.05949	0.6
125.09669	0.4
151.00227	0.4
151.11166	0.4
153.01501	0.8
168.03809	0.4
168.06654	0.9
168.13846	6.7
169.01344	5.7
169.05052	1.1
169.08640	0.6
169.12256	0.4
169.14204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77896	0.6
55.01744	1.8
57.03315	2.2
58.00455	0.7
59.01252	11.9
62.29873	0.5
69.40639	5.0
70.47050	0.6
71.01257	7.2
72.99184	8.1
73.02816	1.8
75.00747	100.0
76.01079	2.1
79.99801	0.7
80.96408	0.7
85.02823	1.7
87.00753	28.9
88.01118	1.3
89.02328	3.4
95.95642	0.6
99.00764	3.4
101.02332	3.2
105.01822	23.3
109.02808	0.7
111.00772	0.9
117.01817	2.7
121.02853	2.2
129.01836	11.0
137.63815	0.5
147.02887	6.9
150.03139	0.8
165.03967	45.6
165.05322	1.5
166.04288	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	165.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12101	1.0
55.11931	0.9
57.03324	8.9
57.31001	1.2
59.01250	9.7
65.00186	2.5
66.03356	4.4
67.01732	1.8
68.99691	1.1
69.03318	3.1
70.85588	2.1
70.85939	1.3
71.01254	8.4
72.99174	5.3
73.02843	1.5
75.00747	41.5
76.01074	1.6
77.03825	4.6
80.02557	2.5
80.04935	1.7
81.03326	5.8
82.03996	2.5
83.04891	13.1
85.02830	2.9
87.00742	2.2
89.02316	3.7
90.62849	0.9
91.01763	3.0
92.99684	4.3
93.03339	12.6
93.99230	1.1
94.02859	1.4
95.01265	2.0
95.04892	7.8
97.06470	15.1
99.00758	1.4
101.02329	3.0
107.04875	1.6
108.02072	2.8
108.04417	2.0
109.02858	5.4
109.06472	2.8
111.07298	1.2
111.08045	18.0
119.04939	7.7
120.05276	1.8
121.02843	100.0
121.05513	3.7
121.06477	5.3
122.03207	6.4
122.06035	5.0
123.00762	3.3
123.03144	1.1
123.04415	5.4
124.03931	2.3
129.01830	2.5
135.04385	1.9
136.01529	1.3
137.02353	10.6
137.05952	3.2
137.09683	1.5
138.05594	1.6
147.02940	2.4
147.04417	6.5
147.11720	1.1
148.04738	1.2
149.00818	8.7
149.06065	1.1
150.00861	0.9
150.03139	13.2
151.00252	3.8
153.95807	1.1
163.11150	5.5
164.89482	2.6
165.01845	19.8
165.03958	17.7
165.05470	18.6
165.07660	1.7
165.09077	3.7
165.12766	33.6
166.02321	2.1
166.04964	6.2
166.13062	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	164.0708
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
57.03334	1.1
59.01243	3.5
68.99689	1.2
69.52680	5.9
69.53088	2.6
71.01254	4.8
72.00781	44.9
72.99164	2.5
75.00742	3.2
83.90456	1.0
85.02832	2.6
87.00735	1.2
89.02318	3.3
91.01787	3.1
92.04918	2.8
93.03331	10.2
94.02870	2.0
95.04911	2.3
101.02344	2.6
108.02067	1.8
108.04421	1.4
109.02821	6.0
118.02907	1.4
119.04930	9.3
120.04422	6.7
120.05260	28.3
121.02847	24.9
121.06490	2.4
122.03620	2.0
122.06020	1.6
123.04411	3.0
131.27884	1.2
135.04478	1.8
136.03914	3.1
137.02362	5.8
137.05942	2.7
147.04419	100.0
148.04785	8.4
149.00894	2.0
150.03098	10.4
164.00836	1.4
164.03267	2.1
164.04378	4.0
164.07083	45.5
165.01854	9.1
165.04050	2.8
165.05482	13.3
165.07510	4.4
165.09111	2.5
182.53075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	100.0
56.02084	3.1
57.03305	1.5
59.01247	1.2
61.21585	1.1
63.70377	1.1
65.00179	2.2
66.13373	1.1
67.01762	4.6
68.99678	1.5
70.72611	1.0
70.89816	2.4
70.90158	1.3
71.01251	19.4
83.01254	52.4
83.04884	2.5
84.01619	1.5
84.04402	1.1
85.02823	1.7
86.32874	1.1
93.03336	11.4
95.01249	1.6
99.00739	3.2
111.00778	8.1
111.04439	5.3
111.08022	1.4
114.05486	19.2
124.98695	1.6
127.00278	18.0
137.02327	1.3
137.05894	1.3
140.01045	3.3
154.99762	61.9
155.03416	2.8
156.00102	5.2
158.06030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
57.55182	0.2
59.01246	0.2
65.01308	0.3
70.38390	0.6
82.03995	0.6
93.03326	0.4
105.03360	0.3
119.01332	0.2
119.04922	17.6
120.04459	0.3
120.05260	1.1
121.02861	1.9
121.03835	0.3
121.05098	1.2
122.03591	0.5
135.00948	0.2
135.04433	1.1
136.05043	0.4
146.03609	0.3
147.04427	2.8
148.05205	100.0
149.02365	0.4
149.05545	8.9
163.00259	0.4
163.03943	2.1
163.06131	0.6
163.07541	4.1
164.04573	0.6
164.07970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
58.43464	0.5
61.98706	0.7
65.00207	3.5
65.03823	0.9
65.99700	0.7
66.03354	1.4
67.01747	0.7
67.03688	0.5
68.99691	3.0
69.03328	2.4
69.48685	0.6
69.49090	2.8
71.04887	1.2
72.99181	0.6
81.03329	5.2
82.02858	2.2
83.01257	2.0
83.04888	1.2
85.02818	1.1
91.01763	0.8
95.01263	0.7
95.04900	0.9
96.79792	0.5
96.99204	1.2
97.02839	1.5
97.06455	8.7
98.02351	0.8
98.06818	0.6
99.08043	2.8
103.18068	0.5
105.50004	0.5
107.04937	0.9
108.02054	10.4
109.02835	100.0
109.06448	2.6
109.99988	5.6
110.02428	0.7
110.03147	5.9
111.01891	0.8
111.04394	1.2
112.05076	0.7
123.00777	1.1
123.04430	4.2
124.01565	0.9
124.03942	1.7
124.98699	2.2
125.02341	5.5
126.01867	0.7
135.04359	1.3
136.03937	0.9
137.09615	1.0
137.99500	5.5
138.03085	0.8
140.37933	0.4
151.00266	1.3
151.11188	1.4
153.01845	26.1
153.05475	4.9
153.06570	0.7
153.09109	0.8
153.12750	27.2
153.86763	7.9
154.01196	0.9
154.02232	1.8
154.04979	1.8
154.13095	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	148.052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54189	2.5
65.01320	3.4
65.99713	3.6
70.39137	9.7
91.05424	3.3
91.08258	2.9
93.03373	4.6
106.04050	3.7
119.04897	5.6
121.02846	34.4
134.65361	2.8
147.04422	27.8
148.05203	100.0
149.02365	3.2
149.05630	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	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53451	0.9
59.01237	4.0
59.21775	1.1
65.01324	7.0
65.99727	5.6
66.03345	1.4
67.01766	1.3
67.02879	7.7
68.01276	1.4
69.03326	1.4
69.97961	3.5
71.01266	10.2
73.02831	2.1
79.01727	1.3
80.66888	1.0
81.03329	1.2
81.04458	2.7
82.02873	2.0
83.02403	1.8
89.02316	4.4
91.02914	1.7
92.02398	2.1
93.03332	3.0
94.02859	2.9
95.01282	3.6
95.02336	2.0
95.04926	1.9
101.02319	5.2
106.04002	1.8
107.02404	1.8
107.04903	10.6
108.02032	9.9
108.04456	3.6
108.05554	3.2
109.02833	3.7
109.03955	5.9
110.01074	1.1
111.00842	1.2
117.69821	1.0
120.01950	3.2
121.02827	3.5
121.03944	1.2
122.02345	2.5
122.03681	6.6
122.05985	1.6
123.00850	5.4
123.01894	7.6
123.02674	1.3
123.04408	14.0
123.05477	2.5
124.01524	1.9
133.03902	1.2
133.04919	1.3
136.01567	76.8
139.03931	2.8
149.02330	6.5
150.00110	4.6
150.03123	100.0
150.05515	9.4
150.06641	3.3
151.00317	2.3
151.03946	35.7
151.05034	1.5
151.06039	3.5
151.07416	1.8
154.02621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	35.5
58.00431	6.1
59.01249	63.1
60.15467	5.3
71.01251	94.0
72.99181	31.0
75.00750	20.2
85.02814	57.1
87.00747	100.0
89.50446	4.4
98.20515	8.9
99.00748	11.0
101.02324	7.0
101.05952	8.5
103.03895	13.3
112.52793	4.8
115.00227	12.3
129.01828	18.4
129.57036	4.6
147.02934	24.8
147.06538	22.7
148.05113	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	21.7
57.30479	2.2
59.01244	17.4
64.51240	2.3
70.52679	1.9
70.71803	4.6
71.01250	18.4
71.04868	2.9
72.99169	4.6
75.00750	4.8
85.02827	61.1
87.00751	100.0
88.01096	5.0
101.02328	6.0
103.03907	13.6
106.87482	2.5
115.00251	12.0
129.01822	13.9
147.02890	28.7
147.06566	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57272	6.0
55.01734	8.8
57.03330	7.7
59.01256	40.5
63.20467	5.2
64.77573	5.5
66.91364	5.3
69.58464	11.0
69.58868	21.9
71.01254	100.0
72.01577	7.1
72.99194	14.8
73.02811	12.7
81.03336	10.4
83.01244	25.0
83.04904	6.0
87.00760	59.3
87.66617	5.7
99.00793	13.2
101.02312	43.9
101.05950	9.4
102.05482	71.3
109.50838	6.3
115.00268	47.0
127.00272	25.8
128.03441	21.7
140.55986	6.2
145.01360	31.1
146.02403	9.3
146.04410	7.3
161.79605	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53321	0.5
65.01317	1.3
66.03374	0.5
70.90772	1.3
71.30202	0.5
77.01357	0.5
83.04894	1.0
84.27363	0.6
90.78905	0.6
91.02906	0.8
93.99473	0.5
97.06458	1.8
99.08034	100.0
100.08355	6.0
102.05485	1.1
105.04446	0.7
118.02850	0.8
118.04005	2.5
119.02386	2.1
124.36691	0.6
127.07529	1.0
143.07037	1.3
144.01828	0.6
145.05032	2.1
145.08607	31.1
146.02380	1.5
146.03510	1.4
146.08955	2.3
161.76718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49037	3.8
55.01752	15.4
59.01248	23.5
68.99675	5.1
69.03324	3.8
70.60841	12.3
71.01253	100.0
72.99178	34.6
73.02805	4.1
74.02340	7.2
81.03319	13.8
83.01254	25.3
83.04868	11.2
87.00744	84.9
97.06476	4.4
99.00748	21.8
99.04393	5.3
99.08015	7.1
101.02332	11.5
101.05957	12.9
102.05475	28.6
106.42704	4.2
112.98722	12.9
115.00250	68.3
118.02841	7.4
127.00274	28.3
128.03415	10.1
130.04111	4.0
144.96320	8.2
145.01328	26.5
145.02951	6.2
145.04929	10.9
146.02411	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71322	1.9
57.03311	3.0
59.01249	5.3
64.01790	2.4
65.01316	6.7
69.03325	7.5
69.23800	17.0
71.01255	14.6
71.04889	2.4
72.92674	1.8
72.99180	73.6
73.02823	2.7
73.69929	1.9
73.99543	1.9
81.03332	6.5
83.01237	3.4
83.04884	2.2
85.02831	10.9
85.03955	1.8
87.00755	3.8
87.04386	6.9
89.01340	15.1
90.00864	3.8
97.02818	4.5
97.06463	65.3
97.56306	1.7
98.06817	4.3
98.19806	2.8
99.04404	2.6
99.08013	4.9
100.07578	2.0
101.02319	3.0
102.00923	2.0
102.05484	2.0
115.03878	2.1
116.02437	21.1
117.00807	3.1
124.98696	2.6
125.02333	7.5
125.05981	100.0
126.06305	9.3
131.77194	2.1
142.04001	2.8
142.99799	2.9
143.02386	3.5
143.03477	32.4
143.04616	3.4
143.07057	26.7
143.10652	7.4
144.01971	12.2
144.04384	25.5
144.05569	11.6
144.06526	2.8
144.07445	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00197	24.1
54.00508	2.0
55.01736	3.6
59.01240	12.6
68.99680	4.5
69.36533	16.1
71.00898	4.1
71.01254	50.4
72.99176	3.5
80.99693	6.6
83.01224	2.4
85.02819	3.1
87.00740	13.3
96.99191	41.9
99.00749	3.4
112.98690	31.5
113.99061	2.4
115.00251	16.9
122.07973	2.3
122.18044	2.2
124.98696	92.5
125.99041	4.8
139.72531	1.9
140.98198	10.0
142.99762	100.0
144.00119	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	142.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	19.9
53.19821	3.2
55.01777	8.0
59.01255	27.0
68.99675	9.3
69.03354	5.6
71.01250	80.2
71.04910	5.2
71.05255	9.0
72.99177	9.4
80.99690	7.9
81.03341	5.3
83.01254	12.0
85.02823	17.0
85.23488	3.6
87.00766	16.0
87.04387	7.8
96.99184	37.3
97.02843	5.7
99.04454	3.6
112.98693	30.2
115.00264	13.3
124.98692	100.0
125.02348	5.1
125.99039	5.2
126.69600	3.5
140.98186	10.2
142.64319	3.8
142.99768	89.9
143.03459	12.2
143.07040	3.5
143.10683	10.4
144.00089	4.2
144.04443	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	139.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	25.8
58.02853	2.8
62.57988	2.5
65.03804	4.2
65.99706	2.8
67.01770	20.1
67.02859	4.6
67.05397	3.4
68.01286	8.3
68.99698	7.4
69.03324	8.1
69.19813	32.1
71.01258	4.9
72.61892	2.6
73.02821	11.7
80.02547	4.8
81.03340	13.1
82.03986	13.4
83.01260	13.0
83.02385	11.9
83.04902	11.5
93.03352	31.1
93.06982	5.7
93.82761	3.1
95.01289	3.2
95.04890	8.0
95.76236	2.7
96.04430	5.4
97.02820	26.8
97.03970	10.6
98.02408	6.5
98.03467	9.3
98.19771	7.4
106.04133	34.0
109.02849	5.3
109.03986	4.7
110.03609	5.5
111.00765	100.0
111.01912	3.9
111.04438	7.3
111.08044	49.8
112.01096	3.9
112.03960	3.3
114.78891	2.8
121.06485	60.0
122.06843	4.1
123.00776	9.0
124.01546	7.9
139.00294	48.1
139.03914	29.1
139.07550	76.7
140.00974	5.7
140.02417	6.4
140.03412	7.5
140.04407	4.0
140.07899	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	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64958	1.1
54.06593	1.2
57.81692	1.1
59.01249	11.2
65.01294	1.3
65.99708	1.8
71.01248	10.9
71.51173	1.2
71.51652	1.6
72.99180	19.2
73.01665	1.5
73.02825	1.7
75.00747	100.0
76.01089	4.1
83.75005	1.5
85.02829	3.4
87.00727	2.1
89.02304	5.1
92.04927	4.4
93.03329	5.4
94.02854	3.2
102.48566	1.2
106.04031	2.6
107.04915	7.8
108.02049	6.0
108.04406	1.9
117.00697	2.9
117.01805	1.7
134.03624	5.0
135.01903	1.7
135.02892	18.7
135.04410	45.5
136.01537	3.6
136.03925	6.8
136.04825	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
64.82040	0.5
71.00422	1.5
71.01253	67.1
72.01585	2.2
72.99179	16.2
79.62997	0.4
82.72451	0.5
87.00765	1.8
87.04372	0.7
89.02325	9.7
95.39619	0.5
115.00258	100.0
116.00574	4.7
118.01022	0.4
133.01323	22.1
133.04945	0.6
134.01675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0462
Annotation	2-Hydroxymethylserine
Peak:m/z	Relative Intensity
63.10751	1.1
64.06957	1.5
65.01308	2.5
65.99726	2.2
71.01233	4.7
71.08564	1.5
71.08910	2.0
72.99165	2.6
73.02806	1.7
75.00734	11.3
85.02814	5.8
87.24311	1.2
87.96914	1.3
89.02371	1.6
92.02403	9.7
92.90347	1.3
93.03326	5.5
106.04086	3.3
107.02351	3.0
107.03514	33.2
107.04882	8.8
108.02058	3.2
108.03808	1.9
116.36034	1.4
123.04426	1.7
134.02422	3.3
134.03580	12.4
134.04605	100.0
135.02869	3.5
135.04370	43.1
154.80611	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43524	1.1
51.20853	1.0
57.03305	2.4
59.01242	3.7
70.25233	2.1
70.25620	2.2
71.01258	100.0
72.01585	3.6
72.99184	26.8
81.23597	1.2
87.00759	3.8
87.04396	4.2
89.02331	9.9
101.72056	1.0
113.33225	1.1
115.00262	94.8
116.00620	3.4
133.01341	14.4
133.04991	5.7
134.04617	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23432	0.8
51.14450	1.0
55.01764	2.2
57.03326	15.1
59.01251	8.3
60.82211	1.0
65.01321	1.3
65.31459	0.9
69.03326	3.9
70.70136	2.7
71.01254	33.6
72.06979	0.9
72.99200	4.8
73.02820	35.5
75.00735	2.0
83.01295	1.0
84.08099	1.1
85.02824	62.6
85.06459	3.4
86.05988	1.5
87.00737	1.2
87.04391	15.7
88.03916	5.9
92.75591	0.9
98.19781	1.2
101.02320	2.4
103.03871	1.0
113.02321	5.5
113.06006	1.4
129.01817	1.2
130.03101	1.2
130.04004	6.1
130.08636	100.0
131.03409	26.0
131.07005	1.4
131.08966	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14639	4.2
55.01757	19.1
57.03321	49.3
59.01260	6.3
59.08673	5.3
67.01759	100.0
68.99689	70.7
71.01256	35.5
71.18388	11.4
72.99184	31.9
73.02820	13.3
83.01260	13.3
85.02827	39.4
87.00764	17.6
88.03915	16.4
96.99205	11.9
99.00766	9.1
101.02309	10.6
102.75758	4.4
104.52025	5.1
111.00768	7.4
129.01837	69.2
130.04018	36.6
130.08632	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	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49048	3.2
55.01741	12.3
57.03311	5.8
58.02652	2.7
58.02851	29.7
59.01238	6.7
65.99705	6.2
66.03345	10.5
67.00058	4.7
68.01282	6.5
68.99693	5.9
69.26165	12.2
69.26591	18.8
71.01253	38.8
71.04887	6.4
71.78980	3.4
81.03312	10.4
82.02844	11.0
83.01250	14.8
83.02390	6.1
83.04909	18.9
83.05329	3.1
84.02033	3.8
84.04414	9.6
85.02831	33.5
85.03944	88.5
86.02344	27.3
91.94958	3.2
98.19704	4.2
99.00795	17.4
99.04408	7.7
100.03896	10.9
109.02850	10.4
110.02364	14.7
121.86805	3.1
121.99347	3.2
125.68212	3.0
126.90299	46.8
126.99422	5.7
127.00272	55.4
127.01285	6.5
127.02943	6.3
127.03886	51.9
127.05008	16.6
127.07545	66.9
128.03427	100.0
128.04347	6.4
128.07042	7.1
128.07898	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29405	8.5
53.40333	7.9
55.01754	16.8
57.03318	53.5
59.01234	9.3
60.96987	7.0
64.16967	7.3
67.01765	100.0
68.99681	90.7
69.36578	64.1
71.01254	54.0
72.99178	33.4
73.02817	19.8
83.01254	16.5
85.02825	36.8
85.06448	10.7
87.00751	25.8
88.03915	30.0
96.99187	14.8
99.00754	11.6
101.02332	25.1
110.28987	7.5
129.01831	71.0
130.08609	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
59.01250	1.3
64.52040	0.3
65.01307	0.4
70.98563	0.8
71.01261	2.1
73.02820	100.0
74.03155	2.9
83.65453	0.3
86.78259	0.3
87.00769	1.0
88.23492	0.3
99.00753	8.7
99.92467	0.5
107.01472	0.4
116.92760	1.8
117.01833	13.2
118.02182	0.8
118.02901	0.5
118.03999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49048	3.2
55.01741	12.3
57.03311	5.8
58.02652	2.7
58.02851	29.7
59.01238	6.7
65.99705	6.2
66.03345	10.5
67.00058	4.7
68.01282	6.5
68.99693	5.9
69.26165	12.2
69.26591	18.8
71.01253	38.8
71.04887	6.4
71.78980	3.4
81.03312	10.4
82.02844	11.0
83.01250	14.8
83.02390	6.1
83.04909	18.9
83.05329	3.1
84.02033	3.8
84.04414	9.6
85.02831	33.5
85.03944	88.5
86.02344	27.3
91.94958	3.2
98.19704	4.2
99.00795	17.4
99.04408	7.7
100.03896	10.9
109.02850	10.4
110.02364	14.7
121.86805	3.1
121.99347	3.2
125.68212	3.0
126.90299	46.8
126.99422	5.7
127.00272	55.4
127.01285	6.5
127.02943	6.3
127.03886	51.9
127.05008	16.6
127.07545	66.9
128.03427	100.0
128.04347	6.4
128.07042	7.1
128.07898	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	1167.7402
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03352	0.6
83.01251	0.7
83.04905	0.8
84.02039	0.5
85.02824	7.8
87.00755	1.4
89.02311	2.4
91.88944	0.2
95.01262	0.6
96.39760	0.3
97.02830	2.8
97.06462	2.3
99.08037	0.4
101.02327	5.4
102.02688	0.3
102.93775	0.3
106.04117	0.3
106.72522	0.2
109.06454	0.7
111.04396	0.4
111.08059	1.0
113.02330	3.0
113.09605	1.8
115.07533	0.9
119.03389	1.0
119.08589	0.6
121.02789	0.3
121.10104	0.3
123.08088	0.4
125.02319	0.5
125.05967	0.4
125.09626	1.4
127.07449	0.4
127.11177	1.6
129.09103	0.4
133.04936	0.4
135.08037	0.3
136.03058	0.3
137.09602	2.9
139.11168	0.8
141.09105	0.9
143.03458	0.4
145.04947	0.8
149.09633	0.3
151.11224	0.6
153.09096	1.1
153.12749	0.5
154.09727	0.3
154.41476	0.3
155.10687	0.7
161.04497	2.4
163.11171	0.9
165.12758	3.3
167.10680	0.6
167.14354	1.9
169.12260	0.5
171.10181	32.9
172.10522	1.5
177.12753	0.8
179.05524	1.2
179.14343	0.6
181.12276	3.2
183.13850	3.0
185.11726	1.1
191.14183	0.3
193.12285	2.2
193.15923	0.8
195.13834	3.1
197.11736	3.0
198.12173	0.4
199.13379	0.6
201.11221	1.7
209.11772	3.6
210.12061	0.7
211.13344	11.5
212.13664	0.7
213.14894	0.5
217.15878	0.4
221.11786	1.8
221.15347	1.7
227.12877	0.6
229.14417	7.2
235.08192	9.9
236.08502	0.4
239.12822	1.7
240.13589	0.9
241.14377	0.4
242.15173	0.4
245.19086	0.7
247.20642	4.0
248.21039	0.3
253.09261	19.3
254.09583	0.8
262.90359	0.2
263.20078	1.1
265.21747	0.6
273.18594	2.7
275.20074	0.3
281.21179	1.8
289.18262	1.6
290.18420	0.9
291.19659	39.2
292.19974	3.2
293.21182	3.5
294.21414	0.4
307.19232	2.8
308.19562	1.9
309.20703	100.0
310.21017	7.6
311.22275	8.3
312.22571	0.9
325.20166	2.2
326.20618	1.3
327.21756	79.2
328.22043	4.6
329.22580	0.3
343.21152	0.9
383.24680	0.4
525.27545	0.3
527.28583	2.4
543.28076	0.9
544.28400	1.0
545.29645	34.7
546.30103	3.2
547.30933	0.4
563.30688	11.5
564.31085	1.2
601.40814	0.8
619.42291	2.7
693.46155	0.5
699.39001	0.4
762.09814	0.3
786.43970	1.6
787.45001	0.4
835.48798	0.4
836.49323	1.3
837.49335	2.4
854.49957	0.4
855.51099	65.5
856.51416	11.6
1167.53101	1.1
1168.54065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.7255
Annotation	Unknow
Peak:m/z	Relative Intensity
80.77001	0.2
81.03378	0.3
82.80915	0.2
83.01279	0.3
83.04943	0.6
85.02827	1.6
87.00754	0.2
89.02310	1.1
97.02898	0.9
97.06466	1.4
101.02325	1.9
109.06523	0.4
111.08038	2.1
113.02318	1.2
113.09609	1.6
115.07591	0.9
119.03425	0.3
123.04470	0.4
123.08095	0.4
125.06019	0.6
125.09681	0.7
127.07600	0.7
127.11192	0.4
133.25272	0.2
137.09654	0.9
137.68301	0.2
139.07610	0.3
139.11201	0.5
141.09155	0.8
145.04991	0.2
149.09703	0.3
151.11191	0.4
153.09137	0.4
153.12840	0.5
155.10732	0.6
161.04478	1.1
163.11263	0.6
165.09091	0.2
165.12752	2.9
167.10741	0.6
167.14282	1.6
169.12299	0.8
171.10181	6.8
172.10487	0.3
175.11188	0.3
177.12717	0.4
179.05591	0.5
179.14366	0.2
181.12265	2.9
183.13808	1.8
185.11777	0.9
193.12305	1.8
193.16005	0.5
195.13857	1.8
197.11766	8.8
198.12213	0.4
199.13330	0.9
203.10748	0.3
209.11771	1.9
210.12265	0.3
211.13335	10.3
212.13760	0.7
213.14966	0.7
214.11884	0.2
221.11848	1.0
221.15411	1.3
223.13234	0.3
227.12860	0.6
229.14415	3.6
229.19638	0.3
230.14722	0.4
235.08206	3.1
237.14996	0.3
237.22227	0.3
239.12903	0.9
240.13651	1.1
241.14400	0.5
245.19113	0.4
247.20654	3.4
248.21042	0.4
253.09253	15.9
254.09654	0.5
263.20084	1.3
265.18060	0.3
265.21704	0.4
273.18616	2.8
281.21164	1.3
289.18069	1.2
291.19662	28.8
292.20035	3.4
293.21201	4.2
294.21613	0.4
307.19144	2.5
308.19458	0.7
309.20691	100.0
310.21033	9.1
311.22076	2.1
325.20178	1.7
326.20526	0.4
327.21744	31.2
328.22086	2.2
343.21198	2.3
525.27161	0.3
527.28174	0.8
543.27960	0.7
544.27869	0.3
545.29535	6.2
546.29639	1.0
561.28491	0.4
563.30713	5.4
564.30701	0.5
579.30090	0.9
619.32666	0.3
619.42072	3.0
737.41223	1.0
738.41144	0.3
755.42041	0.4
817.46588	1.0
818.47253	0.5
835.47809	0.3
853.48224	0.3
855.34857	0.4
855.51031	8.0
856.51300	1.5
1165.54407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.7229
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03353	0.3
82.98211	0.2
83.04910	0.7
85.02829	1.8
87.00767	0.4
89.02351	0.8
91.03938	0.2
95.04933	0.5
97.02850	0.7
97.06444	1.6
98.19920	0.2
99.04384	0.3
99.08062	0.4
101.02319	1.8
106.04195	0.2
109.06510	0.5
111.08041	2.0
113.02328	0.8
113.09599	1.5
115.07516	1.0
121.10080	0.2
123.04459	0.3
123.08053	0.3
125.02328	0.2
125.05982	0.7
125.09633	0.7
127.07512	0.5
127.11176	0.3
135.08165	0.2
137.09613	0.8
139.07562	0.3
139.11189	0.6
141.09128	0.7
143.03441	0.2
144.74741	0.2
149.09717	0.3
151.11215	0.7
153.09102	0.8
153.12766	0.5
155.10699	0.4
161.04413	1.2
163.11186	0.9
165.12761	3.1
167.10687	0.5
167.14351	1.3
169.12283	0.7
169.57076	0.2
171.10173	7.9
171.60330	0.2
172.10538	0.3
177.09073	0.2
177.12807	0.4
179.05478	0.2
179.10744	0.3
179.14375	0.4
181.12250	3.0
182.12863	0.2
183.13847	1.8
185.11746	0.8
191.14311	0.4
193.12280	1.4
193.15901	0.5
195.13846	1.8
197.11751	10.4
198.12123	0.3
199.13345	0.8
201.11235	0.4
207.10257	0.2
209.11754	3.1
210.12137	0.4
211.13333	9.1
212.13670	0.6
213.14943	0.4
217.15829	0.3
221.11867	0.6
221.15367	1.2
223.13289	0.3
227.12848	0.4
229.14360	2.7
235.08202	2.9
237.22197	0.2
239.12868	0.6
239.16660	0.2
240.13676	1.2
241.14439	0.7
245.19084	0.5
247.20621	3.2
248.21007	0.3
249.22214	0.2
253.09253	16.6
254.09695	0.4
263.20105	1.7
265.18246	0.2
265.21530	0.4
273.18555	2.7
281.21353	0.9
289.18076	1.7
290.18475	0.7
291.19653	30.3
292.20007	3.1
293.21207	4.6
294.21481	0.3
307.19162	3.3
308.19391	0.7
309.20691	100.0
310.21039	7.6
311.22195	2.9
312.22437	0.3
325.20197	2.0
326.20502	0.5
327.21747	27.7
328.21991	1.3
343.21313	1.9
433.20975	0.3
441.61047	0.2
465.67426	0.2
527.28857	0.9
543.28162	1.1
544.28290	0.3
545.29651	4.1
546.29645	0.3
561.28912	0.4
563.30725	4.6
564.31122	0.2
579.29803	0.6
580.48322	0.2
619.41943	2.7
620.42584	0.3
737.41449	1.2
739.40710	0.3
750.40674	0.2
754.42169	0.2
755.41785	0.7
799.45044	0.2
817.47656	1.3
818.47070	0.3
819.47961	0.5
835.47742	0.7
836.48608	0.3
853.48785	0.5
855.50916	3.3
856.51331	0.4
1052.53589	0.2
1165.54919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.2
71.01250	100.0
71.04874	6.4
71.25863	4.3
71.32262	3.1
73.03915	5.2
76.80559	3.3
87.00748	11.3
89.59853	3.3
106.74980	3.3
112.20719	3.3
115.00245	6.7
115.03851	5.0
116.07063	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	1161.6935
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03328	2.5
83.01260	3.4
83.04897	4.4
84.02061	0.9
85.02820	2.8
87.00754	1.4
89.02309	4.2
93.03326	0.9
95.01272	1.1
95.04924	3.1
96.95927	0.4
97.02834	5.2
97.06461	4.5
99.00768	1.0
99.04399	1.3
99.08064	0.4
101.02325	7.0
106.04140	1.0
107.04904	1.2
108.02074	0.6
109.02852	0.7
109.06483	3.1
110.03642	0.5
111.00768	0.6
111.04390	0.6
111.08030	3.6
112.05203	0.7
113.02335	3.6
113.05988	0.4
115.07553	1.7
119.03400	1.3
119.04902	0.5
119.08510	0.8
121.02820	1.0
121.06486	1.3
121.10089	0.7
123.04416	3.7
123.08045	2.5
125.02349	0.8
125.05981	1.0
125.09621	8.8
127.07559	3.2
127.11173	0.8
128.03435	0.6
129.01828	0.3
129.99207	0.3
135.04382	0.7
135.08047	3.3
136.05199	0.5
137.06003	0.8
137.09627	3.9
138.06773	0.4
139.07535	0.9
139.11252	0.4
141.09149	1.1
141.12773	1.2
142.02605	0.6
143.03407	0.8
143.04472	0.4
145.04974	0.8
147.08031	0.4
147.11737	0.5
149.05963	0.9
149.09633	0.6
151.07536	0.3
151.11185	1.0
153.09114	11.3
153.12746	0.7
154.09460	0.5
155.10701	1.6
161.04478	3.7
161.09644	0.8
163.07533	0.6
163.11203	9.5
163.12512	0.7
165.09157	0.6
165.12775	7.2
166.13020	0.4
167.10686	1.4
167.14297	0.6
169.12335	2.2
171.10182	24.2
172.10526	0.6
175.11176	0.7
177.12781	1.1
178.09920	3.2
179.05518	1.6
179.10695	1.4
179.14349	1.1
181.12288	3.6
183.12306	0.4
183.13820	2.2
185.11761	9.5
186.12047	0.3
189.12827	0.5
191.10698	3.2
191.14340	5.6
193.12308	1.7
193.15874	0.6
195.13875	0.4
197.11769	27.4
198.12076	0.7
199.13374	1.6
207.10231	3.8
209.11771	67.4
210.12096	2.8
211.13333	9.5
212.13675	0.5
217.15869	0.9
219.10144	0.3
219.13857	1.3
219.17419	0.4
221.11795	0.9
223.13362	1.2
225.11327	2.7
225.14864	0.4
227.12790	3.5
227.17889	0.4
229.14336	1.6
229.19589	0.4
235.08218	7.9
235.13438	1.1
235.20580	0.5
236.10594	0.9
237.11299	1.8
237.14919	1.7
238.12051	2.4
239.12811	0.9
239.16310	0.4
243.17448	0.6
245.19086	10.6
245.21623	0.6
246.19466	0.6
247.17043	0.7
247.20682	2.4
251.16534	0.5
253.09250	27.6
254.09755	0.7
261.18552	0.6
263.20132	3.0
265.13364	0.4
265.18106	0.7
267.16049	0.5
271.17047	2.2
273.18652	1.6
279.19635	1.4
281.21149	0.6
287.01968	0.6
287.16739	0.5
289.18094	41.1
290.18381	2.8
291.19659	34.9
291.23108	0.6
292.20123	2.5
293.21121	1.1
297.20737	1.3
306.07761	0.9
307.19141	100.0
308.19504	7.2
309.20700	81.0
310.21060	4.3
325.20184	41.4
326.20645	2.6
327.21753	17.9
328.22220	1.0
381.22385	0.5
407.19147	1.6
433.20990	0.9
447.22818	0.4
463.08615	0.5
474.20929	1.2
490.90628	0.4
525.27002	7.1
527.28418	2.0
543.28101	34.3
544.28485	2.7
545.29883	4.2
546.29926	0.5
561.29114	8.3
562.29883	0.8
563.30707	2.1
599.39459	1.1
617.40625	2.1
649.00653	0.4
673.42645	0.5
679.33234	0.5
699.39850	0.4
723.40259	0.4
737.41309	1.4
739.43304	0.4
755.42419	0.7
766.41498	7.6
767.41998	0.9
784.42926	0.4
817.47345	0.8
835.48505	62.3
836.48694	9.7
853.49542	22.0
854.49731	3.8
1143.51123	0.7
1161.55139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	19.5
69.96777	2.4
70.47999	6.8
71.01255	100.0
71.23420	2.3
72.01621	3.2
72.99161	3.7
87.00748	9.1
90.54755	2.5
115.00279	13.1
116.07057	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	1135.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
86.31892	0.3
92.14648	0.3
93.03335	2.3
97.15221	0.4
109.02763	0.4
114.74009	0.3
119.29207	0.3
137.02348	2.3
183.04448	2.0
185.02347	0.4
199.03917	0.8
211.03937	3.2
215.03447	0.5
221.00992	0.4
227.03444	6.3
228.03990	0.4
229.05055	0.6
238.02728	0.7
239.03371	1.2
254.02249	1.1
255.02997	9.1
256.03415	0.8
258.01685	0.7
259.02396	2.1
266.02209	1.0
267.02884	1.0
268.04010	0.4
271.02451	2.7
272.03171	1.5
273.04016	4.3
274.04407	0.5
281.04706	0.5
282.01685	0.7
283.02472	100.0
284.02814	5.9
285.04022	2.6
296.03165	1.0
297.04044	1.6
298.00949	0.4
299.01984	0.4
301.03549	13.2
302.03787	0.8
313.03442	2.3
324.02988	0.4
325.03467	4.6
331.04590	5.8
343.04483	0.4
403.06683	20.6
404.07050	1.3
421.07642	4.2
422.07907	0.6
529.41449	0.4
541.09875	65.3
542.10315	6.3
593.15240	0.8
742.01947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.7353
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03367	0.5
83.04908	0.8
85.02842	0.8
87.00774	0.6
89.02313	1.6
95.01308	0.4
95.04929	0.3
97.02827	1.4
97.06457	0.8
98.19785	0.4
99.08053	0.2
101.02325	2.7
107.04896	0.2
109.06460	0.8
111.08038	2.7
111.08698	0.2
113.02335	1.6
113.09602	2.0
119.03414	0.5
119.04908	0.1
120.96622	0.2
121.10141	0.2
123.04409	0.2
123.08038	0.3
125.02379	0.2
125.08790	0.2
125.09607	1.2
127.07581	0.4
127.11184	0.2
131.03380	0.2
135.08047	0.2
137.09639	0.7
141.12715	0.2
142.02600	0.2
143.03471	0.3
145.05000	0.2
149.09644	0.2
150.10490	0.2
151.11218	0.5
153.12752	0.5
155.10736	0.2
161.04468	1.5
163.11179	1.5
165.09126	0.2
165.12785	2.6
166.09915	0.2
167.10753	0.3
167.14388	0.4
169.12242	1.3
171.10193	1.8
177.12756	0.8
179.05551	0.6
179.10672	0.3
179.14334	1.4
181.12260	1.9
182.12691	0.2
183.13873	0.5
185.11794	0.7
189.12877	0.2
193.12271	0.6
193.15892	0.9
195.13837	15.1
196.12677	0.1
196.14136	0.8
197.11763	17.3
198.12160	0.6
199.13306	1.3
202.09918	0.2
207.10213	0.3
209.11754	1.0
211.13345	6.8
212.13800	0.3
221.15274	0.2
223.13380	1.5
225.14850	0.4
227.12827	1.1
228.13379	0.2
229.14471	0.2
233.22789	0.2
235.08174	2.5
235.13376	0.3
237.14839	0.2
238.32658	0.2
247.20631	3.1
248.20903	0.3
251.23726	0.3
253.09265	16.7
254.09671	0.5
263.20145	1.2
265.18039	0.6
265.21918	0.2
273.18600	1.5
275.20206	0.3
277.21719	12.8
278.22025	1.0
289.18127	2.0
290.18451	0.3
291.19662	52.3
292.20035	3.3
293.21219	7.7
294.21631	0.4
295.22775	77.3
296.23135	5.1
307.19183	0.6
309.20703	100.0
310.21042	6.5
311.22299	0.7
325.20184	3.5
326.20566	0.2
327.21713	1.0
433.20657	0.5
447.22482	0.2
527.28650	3.6
528.29370	0.5
529.30219	0.5
543.27893	0.2
545.29688	5.9
546.29944	0.7
547.30817	0.2
561.28955	0.4
583.40106	0.2
601.41022	2.0
602.41010	0.3
725.40979	0.3
726.42200	0.3
739.42676	1.5
740.42218	0.3
757.86713	0.2
801.47925	0.2
819.49078	2.0
820.49408	0.3
836.83527	0.2
837.49872	1.9
838.50549	0.3
1009.52948	0.2
1133.52795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.7198
Annotation	Unknow
Peak:m/z	Relative Intensity
79.94544	0.4
83.01285	0.7
85.02826	1.2
87.00749	1.2
89.02305	2.0
97.02831	2.5
97.06479	1.8
101.02314	3.4
109.06487	0.7
111.00745	0.6
111.08060	1.4
113.02312	1.6
113.09599	5.1
115.07546	0.6
116.92723	2.5
119.03371	0.9
121.10128	0.6
125.06039	0.5
125.09595	1.2
137.09601	1.1
139.11163	0.7
141.09081	0.9
143.03482	0.4
147.02910	0.6
151.11140	0.4
153.12878	0.5
159.75214	0.4
161.04466	1.9
163.11168	1.4
163.47110	0.4
165.12773	3.7
167.10640	1.5
167.14398	0.7
169.12247	0.8
171.10208	3.4
177.12811	0.6
179.05559	0.6
179.10570	0.6
181.12221	2.1
183.13864	0.8
191.14467	0.4
193.12259	1.0
193.15842	0.6
195.13899	2.6
197.11761	6.9
207.10156	0.5
209.11801	1.9
211.13342	4.5
221.11908	0.6
221.15402	1.5
223.13280	0.7
227.12779	2.2
229.14455	0.7
231.96483	0.5
235.08179	3.5
242.96469	0.4
247.20674	3.8
249.22203	0.5
253.09265	11.8
263.20135	0.9
273.18619	2.0
281.21304	0.9
289.18045	1.0
290.95926	0.4
291.19653	39.4
292.19931	2.3
293.21222	24.9
294.21472	2.5
307.19141	1.3
309.20700	100.0
310.21057	5.7
311.22269	1.6
325.19824	0.5
327.21762	1.3
348.92349	0.4
391.27029	0.5
527.28741	4.9
545.29681	13.0
546.29840	0.8
601.41144	1.4
739.43011	0.6
819.49390	0.9
837.50024	26.1
838.50433	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	1123.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	46.4
95.45032	0.4
96.96834	3.3
105.98222	0.4
111.22083	0.4
126.89984	0.5
130.44179	0.4
150.97845	0.6
151.66515	0.4
152.99489	51.1
153.99870	0.6
171.00557	15.1
227.03264	2.8
245.04288	65.6
246.04617	1.5
253.21707	32.5
254.22032	1.8
478.29178	1.4
479.29709	1.7
480.30124	0.8
481.25708	100.0
482.26001	7.2
508.73080	0.5
529.85107	0.4
530.15118	0.4
547.11633	0.4
795.22888	1.3
895.45343	0.6
1054.60559	0.5
1076.39734	0.4
1123.49036	18.6
1124.48999	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	15.8
56.02094	2.3
67.01762	36.9
67.14522	2.0
68.02077	3.1
69.83447	5.3
69.83884	7.4
71.01253	3.5
78.95782	67.8
83.01262	47.2
83.04883	2.7
84.01620	3.7
87.86124	2.0
88.68465	1.9
98.20547	3.2
106.14226	2.0
108.25542	2.0
110.97427	2.4
111.00762	100.0
111.04360	3.0
112.01070	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	1113.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
90.24464	0.1
91.01749	0.3
92.71426	0.1
93.03355	1.0
93.21465	0.1
95.01245	0.1
96.35625	0.1
99.69562	0.1
108.02015	0.2
109.02827	0.4
123.04385	0.5
131.01334	0.1
137.02328	1.0
148.01581	0.3
151.00255	0.1
155.04941	0.5
156.10046	0.1
157.02849	0.3
167.03436	0.8
167.04951	0.4
171.04424	0.4
173.02451	0.1
175.00293	0.7
183.04434	2.3
184.04768	0.2
185.02408	0.7
187.03958	0.5
195.04482	0.3
199.03920	0.8
209.02399	0.4
211.03941	4.0
211.05855	0.3
212.04308	0.2
213.01831	0.4
215.03387	0.4
226.02655	0.3
227.03456	7.1
228.03825	0.4
229.01373	0.2
229.05028	0.5
237.01833	0.7
238.02617	1.4
239.03441	2.0
241.05000	0.2
243.02948	0.3
253.01497	0.2
253.04842	0.2
254.02200	1.6
255.02965	10.7
256.03244	0.8
257.04605	0.2
258.01871	0.8
259.02420	1.8
265.01404	0.3
266.02213	1.1
267.02972	1.1
268.03708	0.5
269.04486	0.4
271.02463	3.1
272.03226	1.7
273.04037	4.2
274.04480	0.2
281.04523	0.5
282.01654	1.0
283.02469	100.0
284.02835	5.9
284.06082	0.2
285.04001	2.0
287.44678	0.1
295.02490	0.3
296.03275	1.1
297.03949	1.9
298.01227	0.2
299.02020	0.4
301.03525	10.8
302.03983	0.6
304.02188	0.2
311.01929	0.3
312.02634	0.1
312.99927	0.1
313.03534	2.2
315.05139	0.4
324.02686	0.4
325.03522	5.4
326.03882	0.5
331.04590	5.1
332.04990	0.4
343.04523	0.5
355.04541	0.5
385.05832	0.2
403.06699	18.9
404.07068	1.2
421.07880	3.3
422.07840	0.2
451.06772	2.4
541.09888	28.4
542.10120	2.8
571.10925	44.9
572.11237	4.8
572.20258	0.3
807.77057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
84.75510	1.0
93.03326	5.5
95.01274	1.4
109.02837	12.0
123.00747	2.6
137.02377	4.9
149.02345	3.3
153.01846	5.7
163.00233	1.6
175.00293	2.3
183.04410	2.6
199.03918	1.2
211.03951	4.8
213.01950	1.9
215.03513	1.5
227.03461	9.0
229.01485	1.2
239.03494	1.5
241.01390	1.7
242.01727	1.4
243.02831	1.7
245.00887	1.4
253.01407	1.5
254.02121	1.5
255.02954	8.6
257.00894	1.2
259.02502	4.4
266.02167	1.5
269.00867	3.0
270.01459	2.0
271.02536	8.5
272.03287	2.6
273.03998	3.1
274.01224	11.6
275.01895	3.1
282.01642	1.2
283.02475	100.0
284.02863	8.7
285.04065	2.8
287.02036	2.6
289.03412	2.1
297.00427	1.3
297.03992	1.8
298.01031	6.7
299.01953	86.3
300.02319	5.1
301.03519	16.6
313.03470	1.9
317.02982	6.1
325.03470	4.4
329.02991	1.2
331.04779	6.8
341.02805	5.0
347.04047	2.6
371.53784	1.2
403.06720	26.7
404.07043	2.3
417.04605	1.4
418.05316	1.8
419.06201	44.8
420.06464	4.0
421.07813	9.5
437.06741	3.8
541.09857	41.2
541.16534	0.9
542.10272	6.2
556.08136	2.5
557.09357	96.2
558.09509	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	1087.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70206	0.3
83.01259	2.1
85.02809	1.0
91.01760	0.4
93.03340	0.9
95.01211	0.3
98.19765	0.9
107.00559	0.3
107.01268	5.6
108.02092	0.4
109.02821	2.9
111.16666	0.4
113.02317	1.2
119.01307	0.4
121.02830	5.4
135.00807	0.6
139.03926	0.6
149.02322	1.0
151.00269	25.9
152.00603	1.0
157.06561	0.4
159.02544	0.3
159.04395	0.6
161.02377	0.3
163.00288	3.4
163.03859	0.5
164.00967	0.4
167.04886	0.5
169.01331	2.4
173.05989	0.4
175.02376	0.7
178.98196	0.7
178.99774	14.2
180.00055	0.5
183.04489	0.7
185.06090	0.4
187.03938	0.6
190.99837	0.4
193.01305	0.9
199.03900	0.4
201.05498	0.9
203.03407	0.4
205.04962	0.4
211.03984	1.9
212.04593	0.4
212.09718	0.4
227.03444	2.0
229.05023	1.6
235.82442	0.3
239.03586	0.5
243.02980	1.0
245.04567	2.7
255.02953	6.1
256.03549	0.8
257.04504	0.8
260.86649	0.3
266.02258	0.4
271.02493	4.3
272.03003	0.9
273.04092	2.5
282.95276	0.4
283.02484	3.1
299.02039	0.5
300.02734	8.1
301.03513	100.0
302.03860	7.0
477.06732	67.9
477.14047	0.5
478.07111	6.1
609.14539	11.4
610.14722	1.4
650.60040	0.4
843.18652	0.4
1110.13147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95618	14.3
84.20290	4.4
92.64498	4.5
96.95871	4.3
107.10794	3.8
111.00745	5.1
116.92743	8.5
121.02785	7.6
138.46724	3.8
141.85413	4.0
165.12727	7.7
167.68674	4.2
171.10098	10.5
207.05052	8.7
209.11798	8.1
211.13246	8.2
278.43069	4.4
291.19650	28.4
292.20007	9.0
293.21072	9.6
309.20721	100.0
310.21075	25.9
311.22229	16.5
312.39877	4.0
327.21637	9.9
382.69788	4.6
985.45770	5.2
1064.52307	14.4
1065.51733	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	1078.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95788	64.6
79.95615	29.7
80.96360	20.2
87.00758	16.2
96.95880	57.1
96.96833	37.4
101.02320	20.9
104.99043	13.2
134.61107	12.5
141.64340	12.9
171.10094	17.2
197.11752	37.5
209.11804	32.5
211.13309	33.4
223.13347	53.9
289.18109	20.5
293.21332	18.6
301.71057	12.5
307.19214	57.9
309.20673	40.9
311.22232	61.9
325.20218	37.5
350.88123	15.7
397.13437	24.7
505.57529	13.9
516.86261	16.2
749.41376	32.2
1078.50818	91.7
1079.51953	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	1062.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
73.63410	3.7
75.00742	21.2
79.95617	9.3
80.96405	8.8
83.01277	4.8
85.02834	15.1
87.00747	50.9
89.02331	14.1
96.95894	12.3
97.02815	6.2
101.02312	16.4
107.00517	3.7
113.02332	15.2
115.00249	59.1
121.02834	5.3
123.04414	4.3
125.02329	4.8
128.03429	5.7
143.03432	5.0
171.10204	16.9
172.10539	7.3
175.02408	100.0
176.02754	15.3
195.13905	6.2
197.11732	26.0
198.12166	7.4
211.13367	14.1
212.13821	7.0
240.09883	4.1
241.14474	7.2
254.87195	5.0
265.21738	13.9
277.21744	37.2
278.16672	4.2
278.22064	18.2
285.13412	8.5
291.19693	5.9
293.21234	7.8
309.20670	49.0
310.21057	9.1
311.22214	9.3
397.13419	22.7
398.13858	9.8
415.14615	5.3
552.23425	5.4
665.26477	7.8
695.33075	4.6
891.93695	4.7
900.49915	8.8
940.46014	6.5
942.47864	9.2
943.48816	14.2
944.49359	63.0
945.49475	18.2
984.48615	14.2
1062.51538	16.3
1063.51111	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	1062.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
77.59757	11.0
79.95596	31.8
80.96396	29.3
87.00755	31.0
88.08737	11.3
89.02287	21.7
94.09541	12.6
96.95879	79.5
101.02320	16.7
113.02313	17.4
115.00270	22.1
168.95573	11.3
175.02342	45.2
197.11732	23.7
211.13301	21.9
277.21802	23.8
278.22183	17.6
291.19611	33.1
293.21228	30.9
307.07959	14.0
309.20709	74.5
311.22144	32.5
397.13547	26.7
487.30780	12.8
532.66235	12.6
570.11267	15.0
865.87537	13.6
900.48492	14.3
944.48761	28.6
1062.50830	67.7
1063.50464	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	1062.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00741	7.6
79.95609	15.8
80.96383	9.2
81.03349	6.5
83.04895	6.8
85.02813	12.3
87.00742	16.0
89.02320	12.6
96.95876	21.0
99.00799	7.4
101.02328	15.4
109.05997	5.0
115.00262	7.7
137.01372	4.6
139.11142	7.5
165.12753	11.4
171.10155	6.1
175.02415	27.5
197.11736	21.7
209.11755	43.5
210.12030	5.4
211.13332	14.7
222.02388	6.6
223.13345	31.1
224.13643	8.6
237.90565	5.1
241.14531	15.6
247.20622	8.7
277.21683	24.0
278.22104	14.8
291.19699	50.0
292.19946	20.2
293.21310	17.4
306.07690	6.9
309.20700	100.0
310.21091	33.7
311.22076	6.9
397.13483	22.5
621.27228	12.1
683.43958	5.1
900.50671	9.0
943.48767	6.1
944.49530	35.3
947.12604	6.8
984.48090	12.9
1062.50317	20.4
1063.51392	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	1046.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
72.85526	20.8
77.17474	18.8
82.72114	20.8
92.71931	18.8
97.98016	18.4
98.19832	42.1
112.79346	21.8
121.02831	59.9
128.03430	21.5
142.99602	21.7
151.31697	20.2
207.04996	37.4
209.04414	40.0
223.82498	22.1
242.20551	20.3
249.39200	18.7
291.19641	41.3
293.21252	100.0
294.21793	26.1
309.20493	67.7
310.20889	25.0
397.13632	28.5
489.50787	20.9
620.43774	22.8
702.16687	27.8
794.27374	23.3
881.12207	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02836	2.3
74.53137	1.7
75.00750	3.0
78.33886	1.5
78.95768	1.4
79.45034	1.5
81.03312	1.6
83.01245	3.5
83.04892	2.0
85.02808	4.9
86.09489	1.6
87.00739	5.3
89.02317	18.5
91.62670	1.4
94.71565	1.6
95.04897	2.1
97.02820	7.5
97.06460	4.2
99.00736	1.9
101.02335	17.7
109.06503	1.8
110.61140	1.4
111.08046	7.0
113.02331	9.0
119.03360	4.1
123.04410	4.2
123.08083	2.1
125.02326	8.7
125.09608	4.5
137.09613	4.6
143.03374	3.7
147.42130	1.6
148.98979	1.6
151.03790	2.3
153.98857	1.5
161.04469	4.8
163.11177	5.9
165.12782	5.0
171.10126	2.8
175.02306	1.7
179.05510	6.0
181.12296	3.6
183.13812	3.2
185.11763	5.3
191.14264	5.0
193.12257	2.6
197.11757	31.5
198.12047	2.3
199.22118	1.5
207.10191	4.4
209.11749	13.7
211.13341	10.6
221.06566	2.0
225.11330	2.9
235.08199	5.0
237.11304	3.8
245.19145	12.1
247.20561	2.6
253.09297	2.1
263.20135	4.2
273.61380	2.0
277.21750	2.0
281.21146	2.1
289.18100	60.5
290.18536	2.8
291.19659	32.9
293.21429	2.5
307.19141	60.2
308.19357	3.4
309.20718	100.0
310.21048	3.8
311.22357	2.0
323.09750	2.0
352.18195	1.7
367.40176	1.5
379.12479	2.8
397.13464	46.0
398.13507	2.7
415.14566	23.6
443.91766	1.7
501.11032	1.6
687.32507	4.3
689.33978	3.8
705.33221	5.8
707.34882	4.3
997.53540	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	1046.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20511	38.9
101.02325	48.1
113.02399	32.7
121.02855	94.6
133.23514	24.6
154.65598	26.7
175.02408	48.5
197.11780	34.1
207.05077	69.4
209.04533	79.5
253.08890	31.6
291.19690	33.1
293.21246	100.0
294.21585	69.5
295.22440	47.9
309.20630	80.6
310.21164	81.0
311.21109	30.3
397.13400	48.4
398.14050	35.8
481.21265	26.9
663.41278	35.1
1014.56281	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.6479
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02826	0.6
74.02346	0.5
81.03412	0.5
83.01235	0.7
83.04871	0.5
87.00763	1.0
89.02322	1.8
95.04928	0.9
97.02841	0.5
101.02322	2.4
104.91474	0.4
109.06434	0.7
111.00774	0.6
111.08054	0.9
113.02337	2.0
113.09602	0.5
119.03419	0.9
121.02807	0.5
123.08040	0.6
125.09629	0.8
128.03465	0.6
137.09503	0.5
143.03377	0.8
143.04486	0.9
161.04466	1.3
161.13251	0.5
163.11165	1.3
165.12767	2.7
167.10733	2.7
171.10168	1.7
175.02246	0.4
177.12769	1.0
179.05519	0.8
179.10716	1.0
179.14317	3.8
181.12299	0.9
185.11658	0.5
193.15942	0.7
195.13840	16.4
196.14326	0.8
197.11720	1.7
205.12271	8.1
205.15823	0.4
207.10123	0.7
209.11740	1.2
211.13292	1.3
223.13348	87.5
224.13721	4.4
225.14868	0.5
228.13631	1.1
235.08183	4.5
247.20580	2.9
253.09285	7.8
256.13174	1.7
272.08871	0.5
273.18655	1.0
275.20184	5.2
291.19669	37.0
292.19913	2.2
293.21222	100.0
294.21600	6.7
306.07626	2.3
307.07959	0.6
309.20706	57.4
310.21042	4.2
341.23309	1.4
397.13611	0.9
415.14456	0.5
441.20908	0.7
459.22324	16.8
460.22739	1.2
527.28546	2.4
545.29681	1.4
733.41711	3.2
734.41772	0.6
738.41095	0.7
751.42743	5.0
752.41943	0.9
1045.52930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00732	2.6
80.96404	3.1
83.01252	3.0
85.02818	17.1
87.00745	3.4
89.02322	14.1
97.02817	5.9
97.06456	3.0
101.02309	10.9
112.98640	2.3
113.02318	6.8
119.03415	3.9
121.02847	7.1
125.02348	5.6
131.18695	2.5
137.09625	4.6
163.10986	2.5
171.10179	39.6
175.02365	3.9
179.05453	4.2
183.13756	4.3
207.04977	14.8
209.11778	4.4
211.13278	18.3
221.11734	2.7
229.14485	6.3
235.08156	5.8
256.49106	2.8
277.21753	22.2
291.19617	10.3
293.21204	23.5
295.22797	6.8
302.72089	3.0
305.08670	2.9
309.17487	4.6
309.20612	25.1
311.22287	19.5
327.21756	100.0
328.22083	9.9
397.13498	30.4
398.13547	3.1
415.14563	20.2
587.43427	5.9
675.36279	5.7
707.34888	15.3
724.34210	2.6
725.35791	10.3
956.70142	2.8
985.57428	3.4
1045.51563	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	1043.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99218	1.7
73.02830	1.9
78.16206	1.1
83.01282	1.4
85.02829	3.8
87.00764	3.6
89.02329	9.7
95.01260	1.3
97.02831	5.4
97.21999	0.9
101.02325	10.6
111.00742	2.3
111.08038	3.5
112.98687	1.0
113.02341	7.2
119.03376	2.5
121.02860	2.0
125.02316	5.0
131.03429	1.0
137.09529	1.3
142.99757	1.1
143.03351	2.0
153.03700	1.0
161.04463	1.6
163.11189	1.3
165.12756	1.9
169.12239	2.9
171.10172	1.8
174.01718	0.9
175.02316	1.8
179.05525	3.8
179.14330	1.4
180.18678	1.2
181.12233	1.7
195.13850	8.6
197.11786	17.3
199.13301	1.0
205.12219	1.2
207.05156	1.0
209.11795	1.6
211.13377	7.5
215.51300	1.1
223.13310	6.1
227.12840	1.3
235.08165	4.0
247.20587	1.5
273.18506	1.2
275.20175	4.0
277.21680	3.2
287.07672	1.6
291.19669	20.7
292.19986	1.3
293.21225	100.0
294.21585	5.6
305.08990	1.5
309.20709	61.4
310.21069	4.4
323.09802	1.7
330.35303	1.1
379.12347	2.7
389.10986	1.1
397.13495	34.7
398.13818	2.2
415.14594	20.2
416.14871	1.8
585.41632	5.1
673.34583	2.8
689.33838	3.0
691.35699	7.0
707.34680	3.9
983.55316	2.2
1025.48328	1.4
1043.54834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	1.3
73.02798	0.9
75.00749	1.8
81.03317	0.9
82.10586	0.9
83.01263	2.8
83.04919	1.2
85.02824	4.9
87.00742	4.3
89.02326	13.3
89.31355	0.8
92.41039	0.8
93.23759	1.0
93.35614	1.0
97.02834	4.1
97.06470	2.2
101.02319	12.2
111.00758	1.1
113.02319	6.6
115.00259	2.1
119.03400	5.0
123.04398	1.7
125.02358	4.9
125.09607	3.3
135.08105	1.1
142.02600	0.9
143.03415	2.5
160.08852	1.0
161.04446	2.4
163.11198	3.9
165.12823	1.2
169.12206	1.0
171.10034	1.3
175.02478	2.5
177.03178	0.9
177.12755	1.3
177.23088	0.9
179.05510	5.2
181.12183	1.4
185.11774	4.1
191.10657	1.2
191.14441	5.6
195.13821	7.3
197.11717	2.0
207.10231	2.3
209.11832	8.5
211.13353	2.7
221.06592	1.3
223.13361	5.3
225.11322	2.0
234.84555	1.1
235.08165	4.1
237.11317	2.4
245.19081	9.4
248.70305	0.9
255.23375	1.1
256.13184	1.8
263.07825	1.0
263.20218	2.0
271.17035	1.7
275.20151	5.0
281.21051	1.6
289.18097	43.3
290.18460	3.4
291.19571	3.8
293.21231	100.0
294.21616	6.2
295.22995	1.5
305.08862	1.9
307.19144	46.5
308.19437	3.4
309.20630	4.5
310.21231	1.1
312.44107	1.0
323.22156	2.0
379.12445	3.0
397.13483	38.0
398.13898	1.9
415.14508	17.3
607.25555	1.1
687.32587	3.4
705.33502	4.0
921.50787	1.1
923.51318	2.7
928.89215	1.1
981.54291	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	1035.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	0.3
73.02808	0.5
81.03330	0.3
83.01273	0.4
83.04899	0.6
84.02025	0.5
85.02825	7.1
87.00749	0.9
88.98660	0.3
89.02315	3.8
95.01248	0.5
95.04898	0.6
96.95929	0.3
97.02827	2.2
97.06470	1.9
97.20395	0.2
98.20058	0.4
99.00780	0.4
101.02320	3.6
109.06488	0.2
111.04388	0.2
111.08062	0.3
113.02322	2.3
116.92746	0.3
119.03379	1.3
120.48727	0.2
123.08061	0.3
125.02302	1.3
125.09655	1.2
127.07568	0.4
127.11143	1.3
131.03409	0.3
137.09612	2.3
141.01601	0.3
143.03391	0.7
153.09100	0.5
155.10654	0.7
161.04498	0.7
163.11165	0.4
165.12766	0.6
167.14328	0.4
171.10179	25.4
172.10500	0.6
177.12767	0.7
179.05510	1.6
181.12347	0.3
183.13824	2.4
185.11775	1.1
193.12260	0.7
197.11771	1.2
199.13309	0.3
201.11229	1.3
203.10699	0.3
209.11789	3.0
211.13333	10.8
212.13620	0.5
213.11270	0.3
221.06650	0.7
221.11772	1.8
229.14401	8.0
230.14676	0.5
233.15518	0.3
235.08290	1.1
239.12836	1.4
240.13330	0.3
247.20645	0.3
273.18619	0.3
287.07672	0.3
289.18164	0.4
291.19611	3.0
305.08929	0.4
307.19162	2.9
308.19662	0.3
309.20724	3.6
310.21420	0.3
311.22345	1.6
323.09836	0.4
325.20221	3.4
326.20599	0.3
327.21756	100.0
328.22089	6.8
369.22787	0.3
397.13477	8.5
398.13794	0.5
415.14569	12.4
416.15073	0.8
637.43231	4.0
638.43488	0.4
639.21381	0.3
707.34802	3.8
708.34808	0.6
709.36536	0.3
725.36023	11.2
726.36639	1.6
744.59949	0.3
985.48010	0.3
1035.48975	1.6
1035.59216	1.4
1036.54211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.83536	0.2
73.02828	0.3
77.57758	0.3
85.02829	0.5
87.00742	0.5
87.40514	0.3
89.02324	0.9
96.95859	0.3
97.02811	0.3
97.06409	0.3
98.20570	0.9
101.02326	1.4
109.06506	0.4
111.08065	1.0
113.02335	0.7
119.03436	0.4
125.09605	0.5
129.01936	0.4
143.03438	0.4
145.62947	0.3
165.12685	0.4
167.10690	0.6
169.12286	0.5
171.10217	0.4
174.01567	0.5
175.02409	0.3
177.12804	0.4
179.05507	0.3
179.14365	0.8
181.12248	0.6
183.13814	1.3
185.11768	0.8
193.12291	0.4
195.12041	0.5
195.13826	7.9
196.14362	0.9
197.11769	3.6
199.13396	1.6
205.12294	1.1
205.15845	0.7
209.11809	2.3
211.13341	27.5
212.13638	1.8
223.13345	6.3
224.13704	0.8
227.12881	3.4
228.13620	0.8
231.21149	0.5
231.24577	0.3
235.08185	1.8
247.20633	0.5
249.22267	0.4
253.09274	3.9
256.13089	1.6
265.18018	0.4
265.21725	0.7
275.20160	4.9
276.20535	0.5
291.19687	6.4
292.19962	0.7
293.21228	100.0
294.21588	8.7
295.22180	0.5
309.20709	12.0
310.21100	1.3
397.13358	0.6
447.22302	3.3
463.21854	0.7
503.34201	0.4
527.28473	0.9
545.30048	1.4
545.37152	0.3
721.42596	0.3
739.42639	2.3
740.43011	0.5
937.51202	0.3
1033.52393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99172	0.9
73.02823	2.7
75.00735	1.0
78.95773	1.2
80.02554	0.8
81.03329	1.3
83.01247	1.8
83.04903	2.4
83.38435	0.3
84.02050	0.7
85.02824	10.4
87.00750	3.1
88.98690	0.4
89.02316	11.2
89.79103	0.3
95.01248	1.2
95.04895	1.9
96.95889	5.2
96.96848	1.1
97.02825	4.1
97.06461	3.5
97.53720	0.4
99.00746	0.6
99.04379	1.0
101.02326	9.6
107.04914	0.5
109.02843	0.7
109.06516	2.0
111.00778	0.6
111.04389	0.6
111.08036	0.5
113.02335	6.2
113.09546	0.4
115.00258	0.7
115.07523	0.4
116.92779	1.3
119.03407	3.2
122.03700	0.5
123.04402	0.4
123.08057	0.8
125.02335	3.9
125.09635	3.2
127.07549	1.6
127.11173	2.0
128.03450	0.5
131.03383	0.6
132.02879	2.6
135.08064	1.8
137.09654	2.4
139.07574	0.5
141.01837	0.6
143.03389	1.9
143.04410	0.9
149.04420	0.4
149.09558	0.5
153.09114	5.7
155.10672	1.6
161.04436	2.0
163.11162	2.1
165.12770	1.8
167.14247	0.5
171.10185	37.3
172.10530	1.4
177.12691	0.7
178.09946	1.3
179.05557	4.9
181.12227	0.8
183.13832	3.5
185.11757	2.6
191.10782	0.6
191.14354	0.9
193.12306	1.8
195.13843	0.6
197.11742	5.9
199.13312	0.5
201.11224	1.5
203.10713	0.8
209.11775	24.1
210.12080	1.8
211.13332	14.1
217.16060	0.5
219.13882	0.6
221.06592	1.9
221.11755	2.1
223.13455	0.5
225.14903	1.0
227.12761	1.2
229.14427	6.8
230.14781	0.5
235.08209	2.5
235.13451	0.5
237.14975	0.8
238.12117	1.3
239.12903	1.7
239.16606	0.4
240.90868	0.4
245.19067	1.6
249.14880	0.4
253.09189	1.1
256.12903	0.5
263.20132	0.7
267.16296	0.4
279.19693	0.8
287.07916	0.7
289.18121	6.9
291.19626	4.3
292.19958	0.5
293.21292	5.4
297.20773	0.8
305.08795	0.6
306.07782	1.6
307.07813	1.1
307.19144	29.0
308.19464	2.5
309.20724	7.2
310.21188	0.6
311.22153	0.8
323.09921	0.5
325.20206	28.7
326.20520	2.4
327.21759	100.0
328.22131	7.4
341.23346	5.5
343.21286	3.8
349.20328	0.5
379.12210	0.7
397.13501	24.9
398.13858	2.1
415.09024	0.9
415.14551	18.2
416.14963	1.3
569.24414	1.3
617.40668	0.7
635.41693	1.6
636.42108	0.6
636.80658	0.5
687.32312	1.6
691.35522	0.6
705.33466	11.2
706.33643	1.9
707.35028	5.9
708.35480	0.8
723.34265	4.9
724.34912	0.8
725.35968	6.3
726.36731	0.8
830.88989	0.6
835.48376	0.7
847.35736	0.5
879.46381	1.0
915.51038	0.5
946.47498	2.5
947.47510	1.0
1015.54895	14.7
1016.55145	4.6
1033.56030	8.6
1034.57031	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	1030.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
72.19241	13.4
89.02308	17.9
98.19820	14.3
101.02367	20.7
121.02853	23.7
121.48897	13.1
124.57635	13.3
125.50263	14.5
130.82289	13.8
149.83136	13.7
151.96371	16.9
207.04993	25.2
293.21344	100.0
294.21588	99.5
295.21848	35.5
309.20755	15.7
397.13470	26.6
398.14240	14.9
399.69714	15.7
952.36121	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	1031.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99177	3.2
73.02824	4.1
74.02342	1.4
75.00738	1.0
78.95755	0.8
79.95578	1.1
81.03324	2.6
83.01245	3.2
83.04893	6.5
84.02029	1.0
85.02824	6.9
87.00719	6.0
89.02310	18.2
93.03320	1.5
95.01252	2.7
95.04889	2.5
96.95880	10.9
97.02814	4.3
97.06458	2.9
98.95492	0.9
99.00751	2.0
99.04435	1.4
99.08024	1.4
101.02321	17.0
108.02057	1.2
109.02848	1.4
109.06453	3.5
111.00732	1.4
111.04407	0.9
111.08059	1.3
112.05167	1.6
113.02331	8.2
113.09511	0.8
115.00253	1.2
115.07521	2.2
116.92728	1.7
119.03378	6.1
121.02797	1.2
123.04382	1.3
123.08035	2.1
125.02309	5.1
125.05968	1.5
125.09621	7.2
127.07561	4.4
127.11122	1.3
129.74524	0.8
135.04468	1.0
135.08022	3.3
137.02441	1.1
137.09637	1.2
139.07523	1.7
141.01842	1.4
141.09100	2.0
143.03375	2.8
143.04459	2.1
143.06940	0.9
153.09116	18.4
153.12671	0.9
155.10649	2.0
161.04446	4.8
163.11209	6.0
165.12758	3.9
171.10173	37.2
172.10490	2.0
175.02425	1.2
177.03316	4.5
178.09918	4.3
179.05525	5.5
179.10658	1.5
181.12283	2.2
183.13841	1.1
185.11736	8.3
191.10645	2.9
191.14265	2.3
197.11771	13.4
207.10193	1.4
209.11761	75.4
210.12091	3.0
211.13313	5.1
219.13702	1.4
221.06543	3.7
221.11763	1.5
223.13332	1.7
225.11331	1.3
227.12805	2.3
229.14426	1.7
235.08159	4.6
235.13362	1.2
235.20662	1.2
236.10434	1.7
237.14772	0.9
238.11935	2.8
239.12843	0.8
245.19067	5.6
253.09070	1.7
263.20160	1.6
271.15335	0.8
279.19656	2.9
287.16669	1.3
289.18121	20.6
290.18600	1.7
291.19571	2.3
293.21094	4.5
297.20645	3.0
305.17462	1.7
307.19128	100.0
308.19409	9.4
309.20694	5.4
323.09842	1.1
323.18631	3.0
325.20175	68.4
326.20505	5.2
327.21762	10.9
341.19647	1.2
379.12421	2.6
397.13446	30.8
398.13705	2.4
415.14505	13.3
551.23322	1.7
569.24371	3.4
636.26587	1.2
687.32294	8.7
705.33282	31.0
706.33820	5.2
707.34406	1.2
723.34424	9.5
724.34894	1.3
855.43811	1.6
856.43494	1.1
859.43121	8.7
860.44397	1.4
871.43384	1.8
873.44250	1.4
877.44104	3.2
885.44879	1.7
889.43933	2.3
897.44318	1.5
903.46820	1.0
926.44818	2.6
944.46173	5.2
962.46417	1.2
977.51044	1.7
995.52301	16.6
996.52747	2.9
1013.53229	24.0
1014.54095	6.8
1031.54370	11.9
1032.53442	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	1027.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.9
71.40885	3.0
72.04781	1.6
72.99184	1.6
75.08453	1.7
80.71894	1.8
83.01237	1.6
85.02795	4.0
87.00744	2.1
88.52695	1.7
88.59409	1.6
89.02317	9.0
90.05980	1.7
97.02824	9.4
97.06458	1.8
100.86335	1.7
101.02345	10.3
111.14926	1.7
113.02341	4.6
119.03381	2.3
125.02334	3.4
137.09595	1.6
161.04509	2.4
163.11276	2.0
165.12833	2.3
171.10194	6.5
179.05589	3.4
197.11807	5.7
211.13306	2.2
235.08217	4.2
243.65349	1.9
247.20627	3.0
260.12433	1.5
277.21695	40.1
278.22128	2.2
291.19666	47.5
291.22681	1.7
292.19977	4.6
305.08881	2.2
309.20709	100.0
310.21130	6.4
353.08408	1.8
379.12494	4.0
397.13483	34.5
415.14642	12.5
644.87585	1.8
689.34045	4.4
707.34467	4.4
746.20093	2.0
841.18835	1.9
921.81689	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	1030.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95633	14.4
123.28130	14.4
205.04533	16.0
209.11830	13.7
245.30107	14.1
255.23094	20.0
267.45197	14.1
277.21698	24.1
278.22137	30.8
279.84030	14.9
291.19733	34.4
292.19943	37.0
293.20972	30.9
309.20715	100.0
310.21005	55.3
311.21356	26.3
314.15720	15.4
344.80731	13.8
397.13361	19.8
908.04230	14.9
1031.52234	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	11.1
71.04882	1.2
72.32176	0.9
72.99186	1.0
73.02818	1.5
78.79885	0.8
81.03342	1.9
83.01252	1.5
83.04896	0.9
85.02821	2.3
87.00756	3.0
89.02319	10.2
97.02838	2.5
100.01225	1.0
101.02331	10.5
109.06474	5.1
111.04403	2.3
113.02332	7.0
119.03400	3.0
121.06493	1.0
123.08070	1.2
125.02303	5.3
125.54082	0.8
127.07547	1.1
142.64125	0.9
143.03404	2.0
145.06517	1.1
149.09566	1.1
161.04480	2.7
167.10767	1.5
169.12018	0.8
179.05566	4.3
191.14407	1.3
192.57353	0.7
195.13840	0.9
221.06644	2.6
235.08133	3.1
245.19101	4.0
271.16986	1.8
277.21713	41.4
278.22040	3.6
287.07639	1.1
289.18094	100.0
290.18494	7.0
291.19519	1.4
293.21313	1.2
305.08716	2.0
307.19101	7.8
379.12524	5.6
397.13449	36.9
398.13937	2.8
415.14490	9.9
506.07907	1.0
669.31610	2.8
675.36560	1.2
679.94141	1.0
687.31708	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	1025.569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	29.3
72.99194	2.2
73.02821	4.5
81.03335	4.0
83.01261	5.7
85.02829	6.3
85.99956	1.8
87.00768	8.4
89.02309	24.6
94.94558	1.8
95.01276	3.3
97.02831	6.4
97.06477	4.2
99.00769	4.1
99.81575	1.8
101.02317	24.9
113.02328	17.2
117.38873	2.0
119.03390	8.0
120.06168	2.1
123.04478	2.7
123.08088	3.4
125.02333	12.1
125.09622	3.9
125.75428	1.7
143.03398	6.2
161.04439	5.7
163.11191	7.1
165.12694	2.9
179.05559	6.0
185.11783	7.8
191.14301	5.7
207.10249	4.4
209.11774	15.7
221.06615	4.3
225.11261	2.4
235.08212	11.1
237.11331	2.2
245.19104	14.3
263.20163	5.2
277.21707	100.0
278.22028	6.8
289.18082	87.6
290.18417	7.9
292.49597	1.9
305.08759	3.9
307.19138	89.7
308.19528	7.2
323.09790	2.8
379.12534	6.8
397.13501	80.2
398.13870	5.0
415.14511	17.8
675.37018	2.7
687.32263	2.8
965.54297	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	1025.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	22.4
72.99172	1.9
73.02843	2.6
73.84419	0.9
74.12625	0.8
74.54345	1.0
81.03332	2.3
83.01258	4.2
83.04896	2.0
85.02820	6.9
87.00768	6.3
89.02316	21.5
95.01260	2.7
95.04918	2.2
97.02818	5.3
97.06458	2.8
99.00742	1.9
101.02322	21.2
107.04876	1.2
109.06497	1.7
113.02330	13.6
119.03393	7.0
123.04399	3.5
125.02346	7.0
125.09607	5.9
131.03416	1.5
135.08061	1.2
137.09602	3.4
143.03413	4.7
149.04457	1.5
161.04474	6.7
163.11186	6.6
165.12785	1.2
171.10133	1.2
179.05507	9.0
185.11723	6.6
191.14337	8.3
207.10243	3.7
209.11746	15.7
210.12239	1.0
211.13307	2.8
217.07068	1.3
217.16034	1.2
221.06653	2.6
225.11305	2.2
227.95627	0.9
235.08189	7.9
237.11310	4.2
245.19092	18.4
253.09157	2.0
263.07822	1.3
263.20093	2.9
271.16983	3.4
277.21716	86.7
278.22086	6.8
281.21335	1.9
287.07809	2.5
289.18085	100.0
290.18445	7.1
305.08813	3.9
307.19135	94.8
308.19415	7.7
323.09720	1.6
379.12543	8.3
397.13474	63.8
398.13754	4.3
415.14572	21.1
416.14905	1.5
607.25842	1.4
669.31567	1.8
675.36389	1.8
687.32538	6.0
688.32080	1.4
705.33759	4.4
745.74176	1.2
965.54327	8.1
966.54803	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	1019.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	2.5
71.04885	0.5
71.51994	0.3
72.99152	0.3
73.02813	1.7
75.00777	0.2
81.03311	0.4
83.01225	0.4
83.04880	0.8
85.02820	0.7
87.00748	0.6
88.98682	0.7
89.02319	1.5
96.95881	0.8
97.02815	0.4
97.06453	1.0
98.03621	0.4
99.08018	1.4
99.26198	0.2
101.02323	1.5
109.06494	0.3
111.08043	0.3
112.05198	0.6
113.02319	0.7
113.09619	1.0
115.07538	1.2
119.03387	0.4
123.07987	0.3
125.02341	0.6
125.09571	1.1
127.07530	2.2
127.11156	1.0
129.09103	11.9
130.09372	0.3
130.90562	0.2
137.02327	0.3
137.09624	0.3
141.09108	6.2
141.12714	0.7
143.03400	0.4
151.11139	0.2
153.12753	0.3
155.10689	7.5
156.11073	0.4
156.94542	0.2
163.11176	0.4
165.12752	1.2
167.14296	0.4
171.10178	9.0
172.10550	0.5
173.08087	0.6
179.05505	0.6
179.10683	0.4
179.14282	0.3
180.11568	0.2
180.80687	0.2
181.12230	0.7
183.13908	0.4
185.11752	23.9
186.12080	0.7
187.55437	0.2
193.12274	0.6
193.15936	0.4
194.88451	0.2
195.13837	1.4
197.11761	21.3
198.12125	0.7
199.13368	0.4
209.11775	4.2
210.12227	0.2
211.13280	1.2
221.06557	0.3
223.13315	0.9
227.12784	0.7
229.14384	0.8
235.08173	0.5
238.12144	0.4
247.20618	1.6
256.12955	0.3
263.20190	0.4
265.21768	0.3
273.18576	0.7
275.20135	0.7
281.21082	0.3
291.19656	10.9
292.20044	0.7
293.21225	18.7
294.21484	1.5
309.20697	21.3
310.21082	1.5
325.19968	0.2
327.21747	100.0
328.22064	7.1
329.22812	0.2
397.13452	6.1
397.18573	0.4
398.14111	0.2
415.14551	8.6
416.14780	0.6
431.82486	0.2
432.66263	0.2
504.30408	0.3
570.70032	0.2
590.26483	0.2
654.27307	0.3
691.35211	3.0
692.35956	0.3
1019.48212	3.2
1020.48010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39125	0.7
71.01254	11.0
71.04871	0.3
72.99145	0.7
73.02817	1.6
74.95544	0.2
75.00728	0.3
81.03302	0.9
83.01271	1.1
83.04864	0.9
84.02034	0.3
85.02824	8.1
86.03126	0.2
87.00748	1.9
89.02321	9.1
93.03316	0.2
95.01249	1.0
95.04861	0.6
96.95856	0.7
97.02276	0.3
97.02833	4.1
97.06467	2.6
97.73872	0.2
97.79276	0.2
99.00712	0.9
101.02323	7.8
109.02820	0.3
109.06440	0.4
111.00759	0.3
111.04375	0.3
111.07417	0.2
111.08044	2.6
111.79579	0.2
113.02329	3.6
115.03829	0.3
115.23684	0.2
119.03403	2.4
119.08521	0.3
123.08079	0.3
124.96910	0.2
125.02340	3.1
125.05964	0.2
125.09610	1.6
127.07484	0.3
127.11175	1.2
131.03333	0.6
137.09639	2.2
139.03871	0.3
141.01750	0.3
143.03392	1.3
149.04413	0.4
151.11140	0.4
153.09120	0.4
153.12761	0.4
155.10649	0.8
155.14194	0.3
161.04471	1.8
163.11168	0.7
165.12769	2.1
167.03297	0.3
167.14272	0.5
169.12248	1.4
171.10182	22.4
172.10449	0.8
175.11142	0.4
177.12712	0.7
179.05533	3.5
179.10721	0.3
179.14247	0.2
181.12239	1.0
183.13817	3.2
185.11781	1.0
193.12282	1.3
193.15907	0.4
195.13756	0.3
197.11768	12.3
198.12151	0.4
199.13272	1.0
201.11256	1.1
203.10699	0.4
207.10139	0.3
209.11777	2.1
211.13336	14.0
212.13611	0.6
221.06555	1.6
221.11702	2.0
223.13228	0.5
227.12816	1.3
229.14413	9.1
235.08153	3.0
239.12831	1.9
247.20670	1.4
253.09213	0.7
263.07788	0.4
263.20093	0.6
265.17969	0.4
273.18622	0.7
287.07635	0.7
289.17972	0.4
291.19678	14.1
292.19971	1.2
293.21249	1.6
294.21448	0.2
305.08710	1.0
309.20703	43.0
310.21075	3.6
323.09848	0.6
325.20267	0.9
327.21759	100.0
328.22098	8.4
333.20734	0.3
343.21268	2.8
350.48608	0.2
351.21799	0.6
379.12564	0.4
397.13492	24.2
398.13742	1.4
405.18878	0.2
415.14572	19.1
416.14990	1.2
459.45831	0.2
527.29248	0.2
545.29309	0.4
619.42224	3.8
620.42853	0.8
620.98694	0.3
689.34119	0.7
707.34924	11.5
708.35089	1.4
723.34241	0.2
725.36096	5.7
726.36749	1.0
817.99298	0.2
1017.56677	2.1
1018.57251	0.4
1023.48157	0.2
1030.33813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	0.7
76.38812	0.5
81.03339	4.5
83.01267	0.9
83.46314	0.5
85.02833	1.1
93.03338	8.6
95.01260	0.7
95.04891	1.6
97.02818	1.4
99.04371	2.7
108.02055	24.3
109.02878	4.8
111.04352	0.6
113.02318	0.9
117.03347	3.4
120.52952	0.5
121.02902	0.6
123.00655	0.5
123.04394	1.6
125.02339	8.9
135.04381	0.7
137.02347	11.3
139.03853	0.6
151.03868	0.9
152.01059	44.5
153.01604	2.0
161.02390	0.6
163.03915	1.9
164.57594	0.6
167.03409	20.3
168.03784	0.7
177.01837	0.5
179.03455	0.8
193.01401	0.8
197.04535	3.7
207.02899	0.6
235.02361	0.7
280.53641	0.5
287.07654	3.0
329.06641	8.1
330.06836	0.6
359.07666	1.1
401.57684	0.6
429.10422	8.2
447.11395	9.2
448.11911	1.1
449.10959	5.8
450.11050	0.9
465.13361	0.5
567.13538	100.0
568.13898	11.1
763.89734	0.6
882.53882	0.6
888.86743	0.6
889.55243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	11.2
71.01622	0.5
71.04857	0.4
72.99138	0.9
73.02807	1.3
77.65380	0.3
78.95734	0.4
79.95526	0.3
80.02502	0.3
81.03291	0.7
83.01211	0.9
83.04840	1.1
84.02016	0.4
85.02821	6.7
87.00745	2.6
88.98638	0.3
89.02319	8.5
90.02614	0.3
95.01212	0.9
95.04839	0.8
96.95889	2.8
97.02829	3.7
97.06461	3.1
98.95396	0.3
99.00703	0.6
101.02322	8.8
107.04954	0.3
109.02739	0.4
109.06441	0.7
110.03568	0.3
111.00706	0.5
111.04354	0.6
111.08034	1.5
113.02335	4.0
115.00181	0.3
116.92706	0.4
119.03387	2.2
119.08492	0.5
123.08006	0.5
125.02341	3.1
125.05911	0.3
125.09554	1.3
127.07419	0.3
127.11150	1.6
127.33504	0.3
131.03275	0.3
135.07947	0.3
137.09619	2.4
137.98952	0.3
139.11064	0.3
143.03345	1.3
149.04414	0.4
155.10640	1.0
161.04474	1.6
163.11121	1.2
165.12752	2.5
169.12247	0.5
171.10179	19.9
172.10475	0.8
177.12730	0.7
179.05540	3.5
179.14314	0.7
181.12177	1.1
183.13832	3.9
185.11678	1.0
191.14290	0.4
193.12206	1.2
193.15837	1.0
195.13779	1.0
197.10031	0.3
197.11766	5.6
199.13235	0.4
201.11185	1.0
203.10774	0.5
207.10217	0.3
209.11754	2.2
211.13338	13.1
212.13583	0.9
221.06548	1.5
221.11798	2.7
221.15334	0.4
222.12222	0.4
223.13286	0.9
227.12918	0.7
229.14383	8.8
235.08167	2.7
239.12918	1.4
247.20667	2.6
251.16566	0.5
253.09325	0.9
263.07892	0.4
263.20123	0.5
265.18100	0.4
273.18695	1.7
287.07779	0.4
289.18021	1.0
291.19653	26.6
292.19931	1.8
293.21198	1.4
305.08731	0.9
307.19211	0.6
309.20703	52.4
310.21057	3.5
311.22028	0.6
322.30804	0.3
323.09677	0.6
327.21759	100.0
328.22073	6.5
329.23242	1.9
343.21259	2.3
351.21591	0.4
369.23053	0.3
379.12735	0.4
397.13486	23.5
398.14020	1.8
415.14572	19.6
416.14938	0.9
506.55811	0.3
542.62762	0.3
545.29883	0.4
555.90759	0.3
608.61450	0.4
619.42267	2.7
620.42096	0.4
689.33917	0.8
707.34912	8.8
708.35553	0.9
725.36078	5.9
726.36816	0.6
1017.55878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.548
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38585	1.7
71.01252	25.7
71.04878	1.9
72.99167	2.0
73.02809	4.0
75.00756	1.0
80.02531	1.0
81.03320	1.8
83.01260	2.6
83.04901	5.1
84.02032	1.0
85.02820	8.2
85.06455	0.8
87.00755	5.3
87.04353	0.7
89.02314	20.8
95.01250	2.1
95.04898	2.2
96.95872	1.4
97.02834	4.8
97.06487	3.6
98.20486	0.7
99.00733	1.6
99.04381	1.1
101.02321	18.0
106.04115	1.0
107.04877	1.2
108.02072	0.8
109.02830	1.0
109.06455	4.2
111.00775	1.0
111.04410	0.9
111.08041	3.4
112.05148	0.7
113.02325	10.9
113.09578	1.9
115.07536	2.1
119.03388	5.6
121.02841	1.2
123.00786	1.5
123.04392	1.5
123.08025	2.5
125.02326	6.3
125.05975	1.1
125.09601	4.1
127.07520	3.2
127.11172	0.8
135.08041	2.7
137.09599	2.1
139.03856	0.7
139.11189	0.6
141.01805	1.9
141.09093	1.4
143.03439	3.8
149.09622	1.1
151.11099	1.5
153.09116	11.1
153.12675	0.8
155.10678	1.6
161.04456	3.8
163.11191	5.5
165.12770	5.8
167.03322	0.8
167.10634	1.1
167.14310	2.3
169.12234	2.0
171.08754	1.4
171.10179	22.4
172.10544	1.4
175.02359	0.7
175.11195	0.7
177.12762	0.6
178.09933	2.7
179.05536	8.3
179.10704	0.7
181.12262	4.6
183.13821	2.8
185.11739	5.0
191.10704	1.8
191.14325	1.6
193.12210	2.2
195.13853	3.2
197.11775	20.4
198.12070	1.2
199.13309	2.0
201.11108	0.9
207.10172	1.2
209.11769	41.1
210.12091	2.3
211.13319	10.5
212.13574	0.8
217.15855	0.8
219.13850	1.0
221.06609	2.7
221.11833	1.4
221.15448	1.3
227.12874	2.9
229.14507	1.9
235.08231	4.7
235.13281	1.1
236.10486	0.8
237.14848	1.5
238.12019	2.0
239.12753	0.7
240.13641	0.9
245.19112	3.6
247.20760	4.0
253.09283	0.8
255.15836	1.0
257.78290	0.7
263.07806	0.7
263.20081	3.6
271.02585	0.7
271.17014	0.7
272.03162	1.2
273.18588	3.1
277.53406	0.6
279.19583	1.5
281.21240	2.8
287.07733	0.7
289.18109	15.0
290.18338	1.6
291.19656	30.4
292.20007	2.3
293.21213	1.2
297.03842	0.7
297.20731	2.1
305.08725	1.7
305.17590	1.5
307.19141	57.6
308.19531	4.6
309.20697	100.0
310.21072	8.0
311.22247	2.4
325.20197	53.9
326.20483	4.1
327.21777	17.3
328.22025	1.6
343.21100	0.9
379.12625	1.9
397.13501	35.8
398.13818	1.9
415.09012	1.3
415.14523	20.0
416.15112	0.9
569.24951	1.0
617.40381	1.0
636.25885	1.1
687.32495	7.2
688.32745	0.9
689.33960	5.9
690.33533	0.8
705.33423	20.7
706.33710	3.5
707.34955	10.0
708.34894	1.8
723.34283	5.0
725.36469	0.9
855.44092	2.7
861.44788	3.6
899.47797	1.0
917.47437	2.0
928.46521	4.4
929.46460	1.2
946.47705	1.9
979.52606	2.3
980.54126	1.2
997.53809	17.3
998.53833	4.3
1015.55249	15.1
1016.55347	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	1015.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	23.4
71.04907	1.5
72.99166	2.2
73.02818	3.4
75.00758	0.4
77.28351	0.4
79.95599	0.4
80.02583	1.1
81.03344	2.7
83.01254	2.4
83.04897	3.6
83.05303	0.3
84.02073	1.0
85.02817	5.6
87.00741	5.0
89.01760	0.9
89.02312	17.2
91.03932	0.4
91.49300	0.3
93.03368	0.7
95.01260	1.8
95.04888	2.1
96.95895	3.6
97.02828	5.1
97.03390	0.4
97.06458	2.3
98.03639	0.7
99.00784	1.7
99.04401	1.8
99.08089	0.6
101.02323	16.2
103.00217	0.4
106.04150	0.5
107.04893	0.4
109.02815	0.7
109.06478	2.5
110.03648	0.9
111.00795	0.6
111.04421	0.7
111.08082	1.5
112.05222	1.0
113.02329	9.2
113.03067	0.6
113.05998	0.6
115.00298	0.4
115.07555	1.3
119.03384	5.3
121.02901	0.7
123.00761	0.5
123.04435	1.5
123.08082	1.8
124.01513	0.5
125.02336	5.8
125.05981	1.3
125.09616	5.7
127.07577	2.2
127.11194	1.1
131.03401	1.0
135.08060	2.5
137.02379	0.5
137.09641	1.4
139.00346	0.4
139.03932	1.0
139.07552	0.5
141.01860	0.8
141.09132	1.0
141.12755	0.7
143.03439	2.2
149.04463	0.7
151.11148	0.4
153.09109	12.5
153.12766	1.0
155.10719	1.6
161.04472	4.5
163.11211	6.2
165.09146	0.7
165.12749	8.4
166.09975	0.6
167.03384	0.4
167.10736	0.7
167.14349	0.5
169.12263	0.8
171.10176	27.5
172.10541	0.8
174.01608	1.0
175.02405	0.6
175.11215	0.7
177.12732	1.0
178.09848	2.0
179.05544	6.9
179.10759	0.9
179.14362	2.2
181.12285	3.0
183.13927	0.8
185.04460	0.6
185.11745	4.3
189.12787	0.4
191.10695	1.9
191.14352	1.5
193.15839	2.1
195.13916	0.6
197.11760	10.2
199.13382	0.6
201.11238	0.4
207.10089	0.7
209.11765	41.1
210.12123	2.0
211.13359	3.7
217.15938	0.6
219.13795	0.7
221.06619	2.5
221.11833	0.7
223.13280	2.8
225.11284	1.0
225.14857	0.7
227.12776	2.1
229.14354	0.7
235.08255	3.4
235.13342	0.6
236.10541	1.1
237.14911	0.9
238.12032	1.7
239.12877	0.5
239.16431	0.5
245.19099	3.0
246.19475	0.5
247.20648	6.8
249.15050	0.6
253.09258	1.4
261.18335	0.4
263.20148	1.7
265.18054	0.4
271.02686	0.4
271.17111	0.7
272.03412	0.5
273.18555	2.5
279.19617	1.2
287.07657	1.0
289.18097	14.2
290.18384	1.1
291.19647	68.3
292.19992	5.6
293.21164	1.2
297.20654	2.9
303.19519	0.5
305.08643	1.0
306.17532	0.4
307.19125	65.6
308.19421	4.0
309.20691	100.0
310.21042	6.5
323.09897	1.0
325.20184	46.2
326.20435	2.4
327.21780	6.5
328.21893	0.5
334.20975	0.4
335.22427	0.7
341.23431	0.4
379.12396	2.1
397.13467	37.5
398.13812	2.5
415.14554	18.8
416.14932	1.1
422.13174	0.4
511.25488	0.5
551.23450	0.7
569.24213	1.2
599.39130	0.6
617.41003	0.9
618.24982	0.5
636.26624	0.7
671.32904	1.2
687.32233	7.4
688.32654	0.6
689.34015	2.2
690.33582	0.5
692.14014	0.4
705.33380	18.4
706.33844	2.3
707.35211	2.0
723.34534	4.8
724.34650	0.7
825.40143	0.4
861.44244	0.6
869.07318	0.4
871.42749	0.8
928.46814	4.1
929.46490	1.0
946.47607	0.5
979.52911	3.1
980.52209	0.9
997.53827	19.0
998.53784	4.1
1012.73120	0.4
1015.55457	7.3
1016.54169	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	1014.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01275	35.4
71.08715	53.4
73.22601	24.1
89.36459	27.3
93.48428	26.6
148.96518	25.5
207.15150	26.6
277.32672	29.8
293.21255	100.0
294.21582	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	0.7
71.50771	0.5
71.51175	1.0
72.28133	0.6
74.13136	0.6
82.35413	0.5
93.03316	0.7
107.30088	0.5
117.03358	1.6
135.04401	0.9
145.06129	0.6
159.38026	0.6
161.02348	1.6
180.32605	0.5
187.03838	0.6
191.03412	0.6
202.08643	0.5
203.03453	1.0
205.04987	0.5
221.04648	0.7
233.04538	0.8
258.01682	6.4
259.02359	2.3
271.02548	3.4
272.03287	1.8
273.04077	3.4
281.04318	0.7
282.05328	0.7
283.06223	1.3
285.03946	0.9
295.06143	1.6
296.06918	0.8
297.07675	9.4
298.07935	1.2
301.03540	20.3
302.03934	1.3
309.07681	1.4
311.05658	1.4
313.03506	2.1
323.05695	2.2
325.07056	3.9
328.05807	1.6
331.04553	10.6
332.04892	0.8
335.05737	1.1
337.06958	1.3
343.04501	0.6
353.06656	30.7
354.06946	3.5
365.06674	2.5
367.08582	0.7
383.07736	15.9
384.08023	2.3
395.07779	1.8
413.08701	1.7
421.07782	18.8
422.08081	2.2
425.08777	0.7
455.09753	0.9
473.10892	6.0
474.11011	0.9
474.48224	0.7
503.11700	1.3
575.13824	0.6
593.15112	100.0
594.15399	15.3
795.00793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	16.1
72.99171	1.7
73.02804	2.6
83.01249	1.6
83.04906	0.6
85.02816	5.8
87.00746	3.7
87.23973	0.5
89.02318	15.6
93.03341	0.8
95.01271	1.2
95.04893	1.1
97.02834	3.0
97.06455	1.6
99.00748	1.3
99.04432	0.5
101.02324	13.7
111.00761	1.6
111.04388	0.5
111.08009	1.0
113.02328	8.3
113.09620	1.5
115.00265	0.8
115.07519	1.2
119.03368	4.3
119.96076	0.6
123.08067	0.5
125.02357	4.6
125.09599	0.9
125.47710	0.5
127.07559	0.5
131.03412	0.8
139.11145	0.8
141.01822	1.6
141.09093	1.5
143.03415	2.2
151.11198	0.8
151.36641	0.6
161.04451	3.3
163.11118	0.6
165.12787	4.8
167.10706	0.5
167.14294	1.5
175.02353	0.9
179.05547	6.3
179.14351	1.2
181.12283	2.9
183.13837	1.3
193.12279	1.3
193.15906	0.9
195.13893	2.5
197.11731	2.1
209.11717	1.0
211.13284	2.8
213.14932	0.9
217.15990	0.6
221.06612	2.2
221.11662	0.5
221.15486	2.6
229.14375	0.7
235.08261	3.1
247.20621	4.2
248.21178	0.7
253.09186	1.0
263.20093	1.1
273.18546	3.9
277.21744	0.7
281.21164	1.2
291.19659	65.3
292.19989	5.0
293.21323	0.8
295.22903	0.7
305.08942	1.1
307.19080	0.6
308.19940	1.6
309.20706	100.0
310.21002	6.2
311.22256	1.6
323.22266	53.8
324.22656	3.8
379.12366	2.4
397.13486	31.1
398.13675	1.5
415.14569	8.6
416.14999	0.6
473.21442	0.6
689.34021	10.7
690.34430	1.8
703.35785	1.1
707.34894	16.5
708.35022	2.6
721.36835	4.1
899.95532	0.6
944.49493	1.0
964.00348	0.7
995.56665	0.7
1013.56750	12.6
1014.56653	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	1013.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	45.0
71.53146	2.0
72.99184	34.1
73.02809	6.2
75.00735	9.0
77.08286	2.0
78.95766	1.8
81.03342	3.2
83.01258	8.5
83.04890	4.9
85.02827	16.4
87.00745	28.5
89.02324	26.3
95.01254	3.2
95.04899	5.2
96.95880	20.2
97.02796	11.2
97.06433	4.1
99.00743	7.9
101.02322	29.0
108.02076	2.3
109.06483	6.1
111.00734	4.6
112.98712	15.0
113.02319	14.7
115.00254	28.7
119.03387	9.3
120.06675	2.1
121.02837	2.9
123.04420	3.9
123.08042	2.1
125.02339	7.8
125.09605	10.9
127.07587	2.9
129.01778	2.6
135.02910	2.3
135.08064	4.2
137.09602	7.5
142.99748	21.4
143.03468	4.9
143.04485	2.6
151.07544	2.1
151.11221	2.2
153.09096	15.4
156.00502	3.6
161.04510	5.0
163.11194	12.4
165.12744	4.7
169.12244	2.0
171.10184	50.3
172.10460	2.2
173.00797	7.6
174.00209	3.1
174.01625	48.4
175.02402	46.4
175.03897	1.9
176.02739	3.2
177.03302	6.0
179.05536	7.1
179.10699	2.2
181.12172	3.2
183.13840	4.2
185.11766	12.8
191.14302	11.7
195.57709	2.5
197.11705	11.4
207.10150	5.8
209.11768	45.3
210.12126	2.6
211.13293	14.3
211.36288	2.3
217.15900	3.7
221.11734	2.3
223.13277	4.9
225.11259	4.9
226.11687	2.4
229.14291	3.9
235.08139	14.4
235.13292	3.8
237.14854	2.7
239.12923	3.1
245.19037	19.8
253.09215	14.6
271.17114	2.8
279.82419	2.2
287.16470	4.5
289.18085	98.4
290.18341	6.3
291.19678	13.6
293.21182	58.7
294.21442	5.0
305.17538	11.1
305.21085	4.7
307.19119	100.0
307.22659	4.9
308.19528	10.2
309.20645	19.5
319.19525	2.9
325.20193	55.6
326.20609	7.9
327.21796	61.9
328.22049	4.0
331.18948	2.9
345.20514	5.1
379.12695	4.1
397.13507	51.0
398.13791	3.1
415.14566	22.0
447.14844	2.1
449.80359	2.3
529.30176	8.1
545.29578	4.9
563.30542	4.6
687.32019	9.6
705.33484	16.1
723.34509	2.8
788.10571	2.3
839.51752	3.1
877.49664	4.9
883.05249	3.0
891.51575	4.1
895.50848	13.6
896.51050	3.6
907.50537	4.6
909.52643	3.9
913.52026	3.7
917.49274	12.5
935.50262	7.8
947.50183	6.1
951.53064	2.2
953.51263	11.6
954.50922	3.5
959.50372	4.7
977.51300	17.7
978.51154	4.1
995.52142	35.7
996.52100	9.0
1013.54749	14.1
1014.53839	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	1011.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	11.1
72.99182	1.2
73.02827	1.1
83.01276	1.1
85.02814	1.9
87.00741	3.3
89.02317	9.0
95.01283	1.0
97.02816	1.8
99.04442	1.0
101.02315	8.0
113.02341	4.0
119.03363	2.9
125.02340	3.4
143.03384	2.5
153.37637	0.8
161.04457	2.3
179.05531	2.9
195.13797	7.6
221.06644	1.9
223.13358	4.0
229.37125	0.9
235.08170	3.7
275.20145	4.8
277.21732	33.7
278.22058	3.5
287.07706	2.0
293.21225	100.0
294.21518	7.0
305.08813	1.7
316.83795	0.7
323.09879	1.0
379.12436	4.9
397.13477	33.3
398.13791	2.3
415.14487	10.9
416.14667	1.1
657.34460	1.1
673.35004	2.6
675.36292	1.1
691.35431	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	1.4
71.31631	1.7
75.69197	0.8
83.01268	2.2
93.03372	1.0
107.01275	6.0
109.02846	3.0
113.02333	1.6
121.02837	5.9
151.00278	24.3
163.00269	3.6
169.01314	1.6
175.02385	1.5
178.99789	14.7
183.04420	1.1
199.03938	1.0
201.05429	0.8
203.03502	0.8
211.03940	2.1
227.03503	3.0
229.04955	1.4
239.03391	1.2
242.06230	0.9
245.04536	2.2
255.03049	5.9
257.56119	0.8
269.31015	0.9
271.02530	0.9
273.04065	2.2
274.24094	0.8
283.02475	30.7
283.05615	1.6
284.02829	2.8
301.03519	100.0
302.03882	6.8
381.85547	1.0
403.06793	4.5
432.19434	0.9
477.06735	67.9
478.07080	8.3
526.09967	8.2
527.09863	1.4
1031.21716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	34.5
71.51907	2.5
72.99181	38.4
73.02830	4.3
75.00748	15.5
79.95570	2.6
81.03292	2.3
81.04449	2.9
83.01257	6.6
83.04890	3.1
85.02839	8.3
87.00752	33.9
88.98664	4.6
89.02312	8.3
95.01274	3.2
95.04870	4.2
96.95890	15.7
96.99213	2.5
99.00742	16.4
101.02322	8.2
109.02831	4.1
109.06459	3.6
110.16476	2.4
111.00777	8.6
112.98701	27.5
113.02330	5.6
113.99464	3.6
115.00262	51.9
116.92861	2.5
124.98682	5.6
125.09602	4.3
127.07558	3.4
129.01797	2.5
135.02887	3.3
136.05121	2.5
139.07526	2.8
142.99762	43.7
145.01352	7.1
153.09131	5.7
156.00548	7.7
157.01268	4.0
163.11230	3.6
165.12738	4.6
171.10173	18.7
173.00824	8.9
174.01624	85.9
175.02406	73.4
183.13728	2.5
185.11780	7.3
191.14447	2.5
196.50020	2.7
197.11748	17.9
207.10156	3.7
209.11795	27.0
211.13304	7.2
223.13431	5.4
225.11418	2.4
235.08379	5.6
235.13254	2.5
247.20663	3.9
253.09422	15.7
287.16452	3.5
289.18161	22.9
290.18478	3.2
291.19644	25.8
293.21252	100.0
294.21506	8.6
305.21176	3.9
307.19156	37.5
308.19449	3.4
309.20706	44.8
310.21024	5.7
311.22241	12.9
323.18295	3.9
325.20224	31.8
331.19293	4.2
345.20660	10.9
379.90680	3.0
397.13693	4.6
525.26752	6.9
527.29480	2.7
529.29913	3.7
543.28070	12.7
561.28845	3.8
727.15570	3.1
750.43085	4.2
819.48694	25.1
820.50061	6.5
837.50537	13.8
859.48364	4.5
875.48035	13.9
876.49359	4.0
889.49152	3.7
893.49139	18.5
894.49054	8.5
903.47870	4.6
911.49249	4.6
933.48560	10.9
934.49652	4.0
942.46771	3.1
951.49420	19.5
952.50281	6.6
993.50183	17.1
1011.52643	16.9
1012.51563	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	1001.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	12.2
71.09481	0.7
72.99174	1.0
73.02816	1.7
81.03346	0.6
83.01250	1.2
83.04887	0.4
84.01998	0.4
85.02823	9.0
87.00760	2.9
89.02320	9.1
95.01267	1.1
95.04869	0.6
96.95912	0.3
97.02818	2.7
97.06463	1.9
99.00742	0.8
101.02328	8.8
105.11265	0.3
106.17977	0.3
111.08058	0.4
113.02324	4.8
119.03428	2.3
123.08031	0.4
125.02326	2.7
125.09600	0.9
127.11176	1.2
131.03371	0.6
137.09604	2.1
139.03899	0.3
140.10704	0.3
141.01833	0.4
143.03416	1.4
144.14789	0.3
149.36604	0.3
155.10640	0.8
161.04456	1.8
165.12762	0.3
167.14227	0.4
171.10184	23.5
172.10512	0.7
177.12721	0.6
179.05521	3.0
179.14368	0.7
181.12369	0.3
183.13824	1.8
185.11804	0.7
193.12297	0.9
195.13844	5.9
196.14447	0.4
197.11732	0.3
201.11240	1.3
205.12292	0.5
205.15883	0.3
209.11760	1.1
211.13348	9.7
212.13693	0.6
217.07140	0.4
221.06621	1.2
221.11844	1.5
223.13335	4.5
229.14389	7.7
230.14648	0.3
235.08206	2.9
239.12897	1.1
253.09303	0.7
256.13141	0.6
263.07880	0.5
265.21628	0.4
275.20132	2.5
276.20483	0.3
287.07773	0.8
291.19681	3.3
292.20059	0.4
293.21228	57.7
294.21521	4.3
305.08823	0.8
309.20715	7.8
309.84778	0.3
310.21021	1.2
323.09744	0.8
327.21762	100.0
328.22092	8.4
339.63837	0.3
379.12714	0.4
397.13489	31.5
398.13889	2.5
415.14575	22.1
416.14764	1.4
603.42542	4.1
604.42853	0.6
604.51965	0.3
653.44977	0.3
691.35394	4.5
692.36176	0.9
707.34924	7.0
708.35388	1.2
711.03351	0.3
723.04895	0.3
725.35956	4.4
726.36444	1.0
772.01440	0.4
1001.57581	1.5
1002.56238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	9.3
71.04870	0.3
72.99165	1.0
73.02811	1.3
81.03323	0.5
83.01246	1.0
83.04893	0.5
84.02053	0.5
85.02822	7.2
87.00757	1.8
89.01761	0.3
89.02315	7.2
95.01265	1.0
95.04887	0.5
96.95898	0.3
97.02815	2.3
97.06464	2.2
101.01701	0.5
101.02324	6.9
109.06511	0.3
113.02329	3.2
116.92731	0.3
119.03379	2.0
119.08515	0.4
125.02345	2.3
125.09595	1.0
127.11195	1.3
131.03371	0.4
137.09636	2.3
143.03378	1.2
144.86897	0.2
153.09129	0.5
155.10692	0.8
161.04445	1.7
165.12730	0.6
167.03439	0.3
167.10649	0.3
167.14264	0.4
171.10179	20.2
172.10493	0.8
177.12746	0.7
179.05542	3.8
183.13823	3.0
185.11749	1.0
193.12253	0.7
195.13838	4.2
197.11794	0.6
201.11301	1.4
203.10684	0.3
205.12196	0.2
207.68262	0.2
209.11729	1.3
210.33592	0.3
211.13327	12.1
212.13748	0.4
221.06601	1.6
221.11758	1.8
223.13370	2.5
226.71864	0.3
227.12738	0.4
229.14412	8.2
230.14729	0.6
231.21129	0.3
235.08231	2.2
239.12856	1.5
253.09366	0.7
256.13138	0.6
257.13806	0.4
275.20181	1.8
284.96741	0.2
287.07785	0.8
291.19644	4.1
292.19913	0.3
293.21222	41.0
294.21573	3.7
305.08780	1.1
309.20679	9.5
310.21097	1.2
323.09949	1.0
327.21753	100.0
328.22079	8.3
351.21652	0.5
379.12570	0.4
397.13495	18.0
398.13980	1.2
415.14566	18.9
416.14957	1.2
545.29907	0.4
561.91632	0.3
603.42590	4.1
604.43146	0.6
689.33893	0.3
691.35516	2.4
692.35474	0.4
707.24176	0.2
707.34949	7.0
708.34949	1.6
725.35938	7.9
725.48462	0.5
726.36884	1.3
1001.56409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53470	2.9
70.23336	0.4
71.01253	18.6
71.61868	0.5
72.99171	2.3
73.02827	2.8
76.24899	0.4
81.03312	0.5
83.01258	1.8
83.04877	1.3
85.02831	4.3
85.06491	0.4
87.00753	4.3
89.02313	15.7
95.01261	1.8
95.04891	0.5
96.95879	1.3
97.02830	3.4
97.06464	1.3
98.19825	0.9
99.00742	1.6
99.08015	0.6
101.02325	14.8
109.02842	0.6
109.06460	0.7
111.00749	0.5
111.08026	2.4
113.02334	7.7
113.09624	2.4
115.07529	1.2
116.92730	1.5
119.03375	4.2
121.02863	1.0
125.02359	5.4
125.09577	1.1
126.51041	0.5
127.07500	0.7
127.11094	0.7
129.09117	1.5
135.08102	0.5
137.09569	0.8
139.03868	0.7
139.11182	1.0
141.01830	0.6
141.09062	0.7
143.03387	3.0
149.04451	0.9
151.11183	1.0
153.09030	0.7
153.12735	0.9
161.02435	0.5
161.04457	3.7
163.11150	1.1
165.01848	0.5
165.12762	2.0
165.14093	0.4
167.10712	0.8
167.14362	2.1
169.12245	2.0
171.10179	7.9
179.05522	6.5
180.05942	0.7
181.12271	3.5
183.13841	2.4
185.04449	0.5
185.11649	1.0
193.12302	2.1
195.13823	5.6
197.09979	0.8
197.11765	14.4
198.11971	0.7
199.13347	2.5
201.11264	0.7
209.11694	1.7
211.13344	10.3
212.13689	0.7
213.14851	0.9
221.06577	1.6
221.15498	0.5
223.13429	0.7
227.12817	1.3
229.14427	1.7
235.08170	4.3
237.14752	0.7
241.14317	0.5
242.15088	0.7
247.20609	2.5
249.22342	0.7
253.09312	1.0
263.07513	0.9
263.20084	1.4
265.21738	1.7
273.18591	1.4
275.20206	1.1
277.21722	5.0
278.22171	0.6
278.65918	0.5
287.07852	1.1
289.18106	0.7
291.19666	23.2
292.20016	2.6
293.21213	13.4
294.21518	1.9
298.44327	0.5
305.08807	1.3
307.19116	0.5
309.20706	81.5
310.21021	7.2
311.22266	100.0
312.22626	7.6
323.09741	1.0
325.20197	2.0
327.21771	5.0
343.21216	16.1
344.21652	0.9
379.12311	1.3
397.13501	36.8
398.13794	3.3
415.14563	16.9
416.14722	1.0
603.42603	2.0
675.36090	0.5
689.33911	4.7
690.34491	1.3
691.35565	3.1
707.34875	8.1
708.35065	1.7
709.36316	9.0
710.37976	0.7
723.34760	0.8
983.53687	0.7
1001.57019	13.1
1002.56787	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	991.537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70084	0.9
81.07030	1.2
91.57864	0.8
104.20778	1.0
107.38109	0.8
111.95860	1.0
128.17682	0.8
377.60541	1.0
527.17181	1.1
697.31744	1.2
771.08026	1.1
959.00964	1.3
991.53784	100.0
992.53870	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	1001.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52767	0.9
69.53182	2.4
71.01254	16.2
72.99171	2.0
73.02811	2.0
75.00745	0.7
81.03326	0.9
83.01252	1.6
83.04861	0.5
85.02829	3.4
87.00747	3.5
89.02315	11.7
91.11182	0.4
95.01267	0.9
96.95912	0.8
97.02834	1.7
97.06462	1.4
99.00761	1.1
101.01697	0.9
101.02320	10.6
111.00749	0.6
113.02328	5.3
113.09588	2.3
115.07510	1.4
116.92750	1.3
119.03379	3.3
119.04852	0.5
125.02316	3.8
127.07471	0.9
131.03398	0.5
139.11151	1.0
141.01776	0.8
141.09079	0.6
143.03383	2.4
145.04993	0.6
161.04443	2.1
165.12740	2.6
167.14311	5.1
171.10138	1.6
179.05518	4.5
181.12297	2.8
183.13815	1.9
189.05672	0.5
193.12326	1.4
195.13834	10.8
196.14182	0.6
197.11745	1.0
209.11804	0.6
211.13393	2.9
213.14851	1.7
221.06599	1.9
221.15451	0.9
227.12740	0.6
229.14401	1.4
235.08168	2.6
242.15147	0.8
247.20578	2.7
253.09303	0.6
263.07758	0.6
263.20081	0.8
265.21548	1.1
266.21991	0.6
267.23279	0.9
273.18570	1.6
275.20401	0.6
277.21716	0.7
281.21240	1.5
287.08270	0.5
291.19675	22.7
292.20032	1.8
293.21210	10.4
294.21588	0.9
295.22662	0.7
305.08780	0.6
309.20706	72.5
310.21014	5.0
311.22263	100.0
312.22580	6.7
323.09747	0.9
327.21811	2.7
337.02985	0.5
343.21393	2.3
379.12445	1.0
397.13486	21.6
398.13947	1.5
415.14554	9.2
416.14835	1.0
689.33746	4.6
690.34137	1.0
691.35956	2.9
707.34912	8.6
708.35309	1.6
709.36365	10.4
710.36859	1.7
728.00427	0.5
821.50763	0.6
932.49878	1.1
983.56079	1.4
1001.56720	15.8
1002.57880	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	986.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	2.3
69.07059	12.1
69.38669	5.6
69.39102	3.8
71.04984	3.0
71.63589	1.0
73.02896	2.4
74.31129	0.9
79.05477	33.9
81.03399	3.5
81.07041	36.8
83.04981	2.6
83.08601	7.3
85.02889	7.8
85.06527	2.4
87.99950	0.7
91.03947	6.0
91.05461	40.1
93.07025	37.7
94.07349	1.0
95.04948	7.0
95.08591	28.2
97.02853	5.7
97.06530	3.6
97.10156	3.8
98.21481	1.9
99.08083	1.4
101.16393	0.8
103.03977	0.9
103.05433	1.3
105.04544	0.9
105.07008	38.3
106.07347	0.9
107.04951	3.3
107.08573	21.5
109.06523	4.3
109.10134	11.9
111.08081	2.4
115.05438	2.9
117.06998	22.7
119.08556	26.3
120.64387	0.9
121.06493	1.1
121.10117	16.4
123.08070	2.3
123.11674	3.9
125.09634	2.2
127.03895	1.7
128.06166	4.2
129.06984	14.8
130.07751	1.8
131.08539	25.3
133.10107	18.9
135.07993	2.3
135.11670	9.6
137.09642	1.3
137.13249	1.0
139.11169	1.3
141.06998	5.8
142.07788	3.3
143.08540	16.4
144.09296	1.1
145.04942	1.6
145.06473	1.5
145.10097	23.3
147.08018	1.5
147.11662	12.9
147.24562	1.0
149.09601	1.4
149.13211	4.5
151.11145	1.1
153.07014	1.2
154.07713	1.4
155.08543	10.9
156.09315	2.0
157.10092	14.6
159.07988	1.0
159.11673	16.0
161.09529	1.4
161.13234	7.7
163.05995	3.2
163.11183	1.5
163.14780	1.8
165.07011	0.9
165.16313	1.1
167.08514	4.8
168.09358	1.0
169.10126	10.5
170.10692	1.1
171.11649	10.2
172.77751	0.8
173.09641	0.9
173.13228	9.8
175.14879	1.9
177.12750	1.3
179.08525	2.0
181.10101	5.9
183.11641	11.5
185.13214	8.8
187.14787	3.4
188.75949	0.8
193.10088	2.1
195.11638	6.7
197.13257	8.5
199.14796	5.1
201.16359	1.7
203.18083	0.9
207.11623	1.8
209.13225	6.5
211.14757	6.1
213.16382	4.2
215.17934	1.7
221.13272	3.0
223.14781	4.0
225.16411	3.3
227.18008	2.8
235.14825	2.2
237.16397	2.8
239.18001	2.8
240.23291	1.0
241.19484	2.9
251.18077	1.9
253.19592	1.2
257.18948	3.4
259.20560	4.3
267.21439	1.1
271.74081	1.0
273.22226	1.2
275.20023	2.5
297.22134	1.6
299.19873	0.9
299.23499	1.2
309.21982	1.8
311.23529	1.9
313.21622	1.2
321.21768	1.3
323.23624	1.6
325.25134	1.5
333.24332	3.3
335.25745	2.5
337.25220	1.4
339.26712	1.1
349.23859	3.2
351.26749	1.7
357.23920	0.9
365.28391	1.9
381.27020	1.2
383.29727	1.0
395.29312	1.4
401.26761	1.2
407.28604	1.2
433.30316	1.3
447.32336	1.8
461.34256	1.3
475.34674	1.1
499.39383	2.1
501.35602	1.8
515.37238	1.8
517.40448	8.4
527.37335	1.7
535.41315	5.9
539.37225	3.3
540.37653	1.4
573.42633	1.5
591.43939	9.2
609.45020	100.0
610.45001	5.1
621.44824	1.2
651.45813	2.1
699.45361	1.6
717.46570	2.0
735.47772	2.1
753.48920	2.2
771.50238	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	986.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	5.1
69.07057	17.7
71.04986	4.5
71.08558	2.9
73.02925	2.2
79.05479	69.9
79.85056	0.8
81.03410	4.7
81.07041	59.4
83.04978	6.0
83.08607	19.8
85.02881	5.7
85.06508	2.1
91.03938	2.1
91.05464	40.2
93.07030	55.6
95.04942	7.8
95.08588	40.2
95.09200	1.9
97.02863	3.3
97.06516	3.7
97.10156	35.0
99.08068	1.2
103.05463	1.7
105.07015	36.8
107.04964	4.8
107.08573	67.9
109.02894	2.3
109.06496	6.3
109.10131	23.9
111.08066	4.2
115.05439	1.1
117.07001	11.7
119.06070	1.1
119.08562	22.6
121.06512	1.5
121.10133	23.1
123.08023	1.7
123.11713	6.5
125.09608	30.2
127.03915	3.0
129.07008	4.8
131.08546	19.4
131.09467	2.0
133.10101	20.1
135.08037	6.1
135.11659	13.5
137.13255	1.8
143.08534	5.8
143.10603	1.4
145.10101	21.9
147.11662	18.1
149.09581	8.5
149.13226	7.5
153.09085	2.6
153.12770	1.5
155.08498	2.0
157.10139	4.7
159.11662	12.4
161.09598	1.7
161.13219	7.1
163.06010	1.9
163.11180	1.9
163.14809	3.1
169.10133	2.8
171.10257	1.9
171.11693	3.8
173.11818	1.8
173.13257	8.9
175.11159	1.5
175.14786	2.5
177.12761	1.2
177.16350	1.4
181.10106	1.1
183.11684	2.7
185.13280	3.0
187.11200	1.1
187.13164	1.1
187.14713	2.2
189.11208	18.0
189.12816	1.9
195.11620	1.7
197.13272	2.4
199.14801	2.3
201.16368	1.4
215.17876	1.5
219.17310	1.9
227.12737	35.3
239.17967	3.3
241.19513	2.0
243.21042	2.6
245.13811	3.4
251.17769	1.0
257.18994	7.2
259.20566	4.1
261.22110	12.5
273.18475	1.3
275.20020	35.7
275.23038	2.0
277.21576	2.1
290.65173	1.1
317.24716	3.0
331.22549	6.5
333.24158	4.3
335.25748	76.4
336.26035	2.4
349.23679	41.6
349.28006	2.1
351.25296	2.7
367.25159	1.0
367.29901	1.9
389.18011	3.9
413.30264	1.2
487.34174	2.6
505.28760	1.5
505.35272	15.4
517.40521	1.5
535.41351	2.9
553.41949	1.3
591.44135	1.8
609.45038	100.0
610.45392	3.8
627.45911	16.8
649.39197	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	986.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	4.3
69.07060	17.0
69.52877	2.6
69.53302	2.8
71.04960	2.5
71.08602	0.8
73.02898	1.4
77.03904	0.9
79.05482	45.6
81.03419	4.5
81.07042	57.6
83.04964	6.6
83.08608	15.8
85.02894	8.3
85.06522	2.4
91.03943	3.3
91.05465	34.4
91.05954	0.5
93.07027	50.7
95.04956	27.0
95.05479	0.5
95.05570	0.9
95.08590	39.2
97.02879	4.7
97.06517	6.7
97.10157	7.5
99.04467	3.8
99.08056	1.8
103.05407	0.8
105.04482	0.8
105.07006	27.4
107.04943	5.3
107.08575	31.2
109.02863	1.3
109.06502	6.6
109.10136	17.9
111.04411	3.8
111.08060	3.2
113.09628	0.8
115.05444	1.2
116.06201	0.8
117.07008	11.6
119.07738	1.1
119.08564	21.1
121.06507	3.1
121.10127	22.1
123.08038	4.1
123.11689	4.2
125.09610	6.8
127.03886	2.0
129.06975	3.6
130.07758	0.9
131.08551	17.3
133.06464	0.9
133.10101	18.2
134.10428	0.7
135.08020	3.5
135.11668	16.0
137.09575	2.6
137.13251	1.0
139.11098	0.9
141.06920	2.2
143.08531	4.6
145.04947	1.6
145.06439	0.8
145.10106	17.8
147.08020	2.6
147.11661	8.5
149.09592	11.7
149.13223	7.1
151.11162	1.9
153.12746	0.9
155.08505	2.2
157.10075	3.6
159.08038	0.6
159.11656	10.3
160.36681	0.6
161.09531	1.5
161.13234	5.9
163.11160	11.3
163.14804	1.7
165.12732	1.9
169.10107	2.8
171.11664	3.0
173.09587	1.3
173.13226	5.4
175.11070	1.1
175.14711	1.7
177.12717	2.6
181.12202	1.0
183.11691	1.8
185.13184	2.4
187.11154	0.8
187.14799	2.3
189.11194	4.0
189.12634	0.7
195.13770	1.2
197.13243	2.1
199.14836	1.4
201.12871	0.7
201.16322	1.3
205.12135	1.3
211.14964	1.0
215.17940	0.8
217.15825	1.0
219.17407	0.9
223.13243	12.2
223.15262	0.8
227.12689	3.5
229.19398	1.1
233.18875	0.8
239.17938	3.4
243.21135	1.5
247.20454	0.8
255.15907	2.8
257.18979	6.9
259.20557	1.2
261.22144	8.2
269.17398	5.7
275.20020	32.3
277.21689	0.9
293.21072	15.3
317.24765	1.8
331.22672	1.5
333.24020	0.8
335.25754	100.0
336.25992	1.9
347.21732	0.7
349.23663	16.1
367.24719	21.0
368.25089	0.8
489.35150	0.9
505.35464	0.9
515.37219	7.9
529.31769	0.8
529.38806	17.2
569.41638	1.2
609.45032	39.2
610.45288	1.9
627.46063	65.0
628.46039	3.3
665.47290	0.7
825.49341	0.8
987.57434	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	984.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	6.8
69.07054	21.5
71.04940	1.8
73.02847	0.8
77.78049	0.5
79.05479	36.5
81.03412	4.5
81.07040	40.4
83.04959	3.4
83.08602	8.7
85.02883	4.0
85.06519	1.2
91.03879	2.1
91.05461	22.8
93.07027	34.2
95.01266	0.6
95.04949	9.1
95.08588	28.1
97.02872	9.6
97.06512	2.9
97.10153	9.2
99.08045	0.6
103.05476	0.7
105.04465	0.9
105.07007	15.4
107.04942	4.8
107.08574	20.2
108.05715	0.8
109.02796	0.7
109.05814	0.5
109.06464	2.7
109.10144	14.3
111.04409	0.9
111.08022	2.2
115.05412	1.3
117.06268	0.7
117.06989	7.3
119.04961	1.0
119.07758	0.8
119.08554	14.9
121.06425	1.9
121.10126	13.1
123.07989	2.2
123.11624	1.8
125.05880	0.5
125.09604	7.3
126.06615	0.6
127.03859	1.0
129.06946	2.3
130.07683	0.7
131.07654	0.9
131.08549	11.5
133.06441	1.8
133.10106	7.4
135.08028	2.7
135.11653	7.5
137.09550	2.3
139.11063	0.6
141.06961	0.6
143.08568	3.1
145.04866	0.9
145.06416	0.6
145.10091	6.9
147.08034	4.4
147.11642	5.2
149.09529	1.2
149.13246	3.7
151.11124	1.0
153.12698	0.6
155.08498	0.7
157.10069	2.4
159.07970	0.7
159.11665	4.0
161.09642	2.7
161.13170	2.2
162.10341	0.9
163.05943	0.6
163.11142	1.8
163.14737	1.5
165.09044	1.5
169.09996	1.1
171.10158	0.7
171.11636	1.5
173.11787	0.6
173.13202	1.9
175.11125	1.9
175.14775	1.0
177.12706	1.2
178.04173	0.5
179.72746	0.6
181.12016	0.5
185.13182	0.7
187.14746	1.5
189.11176	3.4
189.12698	0.8
193.12224	0.9
195.13753	1.5
199.11157	0.5
199.14793	0.7
205.12132	2.2
211.13284	0.9
213.16483	0.7
223.13272	17.0
227.12714	2.8
227.17824	0.9
243.21057	2.5
245.18907	1.0
249.14778	2.3
261.22083	7.4
262.15582	0.6
263.19919	1.0
267.15912	0.9
273.18469	10.4
275.20016	0.7
277.21588	0.6
291.19482	83.8
292.19867	2.4
309.20319	0.7
317.24750	3.5
335.25751	75.5
336.26068	2.0
347.22208	1.6
365.23157	41.6
452.34915	0.6
467.55255	0.6
505.35428	1.3
545.38312	5.0
557.38580	1.0
607.43494	2.1
625.44519	100.0
626.44757	4.3
643.45459	1.1
787.50067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	7.4
69.07059	22.5
70.36107	1.5
70.36514	3.3
71.04977	2.3
72.63763	0.8
73.02905	1.0
79.05480	34.7
79.59948	0.7
81.03397	4.0
81.07043	39.4
83.04964	3.1
83.08603	8.2
85.02903	4.1
85.06517	1.5
91.03944	2.3
91.05463	25.0
93.07030	32.4
95.04948	9.4
95.08591	27.8
95.09199	1.8
97.02880	11.0
97.06498	1.9
97.10159	10.5
98.20758	1.0
105.04516	1.7
105.07017	18.9
107.04957	6.3
107.08575	19.6
109.02855	1.5
109.06510	2.4
109.10146	12.7
111.04451	1.0
111.08080	1.9
111.95922	0.8
115.05428	1.2
117.06996	8.7
119.04989	1.9
119.08570	15.1
121.06483	2.6
121.10124	10.9
123.08058	3.8
123.11687	3.0
125.09622	7.1
128.06258	1.5
129.06999	3.3
131.08540	11.3
133.06491	2.8
133.10085	8.4
134.69447	0.9
135.08043	3.3
135.11691	8.0
137.09593	2.7
137.13237	0.9
139.11163	1.1
143.08543	3.8
145.06514	1.1
145.10101	7.6
147.08052	5.2
147.11667	4.8
149.09612	1.9
149.13245	3.8
153.09171	1.3
157.10123	3.9
159.11664	4.4
161.09628	3.4
161.13225	2.7
163.11098	1.1
163.14841	1.8
169.10005	1.1
169.12183	1.2
171.11653	1.4
173.13295	2.4
175.11102	1.3
175.14796	1.4
177.12700	1.6
177.16393	0.9
183.11787	1.1
187.11052	0.9
189.11172	3.5
189.12656	0.9
195.13791	1.1
205.12239	1.9
205.56230	0.9
211.13358	1.3
223.13251	16.7
227.12701	4.0
243.21089	1.9
245.19109	1.6
249.14842	3.9
255.17422	1.3
261.22119	7.3
267.16064	1.2
273.18488	12.0
275.19952	1.0
291.19495	100.0
292.19812	2.4
317.24796	3.3
335.25751	63.1
336.25949	2.2
347.22153	2.3
365.23172	66.0
366.23489	2.3
527.37292	1.6
545.38483	5.2
551.40497	1.0
607.43140	3.5
625.44550	82.4
626.45605	3.8
643.45703	1.0
751.80396	0.8
922.06671	1.0
985.55475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03398	2.8
69.07060	23.4
69.47401	13.2
71.04975	2.4
79.05024	1.8
79.05482	38.3
81.03402	5.7
81.07043	42.0
83.04974	4.0
83.08593	5.6
85.02885	2.4
85.06538	1.4
91.05465	55.2
93.07029	37.7
95.01332	6.1
95.04966	9.8
95.08595	30.4
97.06510	13.8
97.10133	2.5
99.08042	1.8
103.05464	3.5
105.07014	73.0
107.04951	11.7
107.08576	22.5
109.06511	5.0
109.09505	1.3
109.10126	7.1
111.08117	2.1
113.09629	2.0
115.05443	2.1
117.07003	18.0
119.08560	43.0
119.09406	2.3
121.06490	2.7
121.10117	12.7
123.04449	3.1
123.08050	4.7
123.11717	1.9
125.09647	3.0
128.06250	1.6
129.06990	8.2
131.08540	21.5
133.06567	1.8
133.10104	36.5
135.08058	3.0
135.11665	9.5
137.05960	1.8
137.09599	2.1
141.07002	1.8
143.08548	8.7
145.06433	1.8
145.10107	18.8
147.11662	24.4
149.09625	5.9
149.13258	6.3
151.11087	1.4
155.08533	2.3
157.10069	6.9
159.11659	17.5
161.09557	1.8
161.13237	14.0
163.11198	4.2
163.14848	1.5
169.10124	3.7
171.11696	3.9
173.13234	5.3
175.14772	4.7
177.12741	3.2
179.14264	11.1
183.11685	2.3
185.13277	4.0
187.11166	2.4
197.13181	2.3
199.14784	2.3
215.17793	1.3
217.08719	1.2
229.19675	1.7
229.98216	1.4
231.21098	1.9
239.17908	1.7
241.19438	15.8
247.20638	2.6
257.18991	5.9
259.20511	24.4
275.20029	46.3
283.26675	1.2
293.21152	3.8
315.23141	6.8
333.24203	50.5
349.23718	43.9
350.24005	2.2
351.25290	1.4
533.39496	2.6
607.43500	100.0
608.43420	4.7
625.44617	16.7
725.96216	1.4
893.78827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	4.1
69.07063	25.0
71.04985	3.0
73.02904	6.8
79.05482	80.4
81.03425	4.2
81.07044	96.7
83.04962	5.3
83.08603	9.9
85.02901	19.0
91.03938	12.4
91.05464	81.1
93.07033	95.0
95.04961	13.4
95.08589	68.8
97.02869	11.3
97.06490	5.6
97.10137	5.0
99.04395	2.9
105.04523	3.6
105.07013	70.9
107.04947	2.4
107.08582	46.3
109.06487	6.0
109.10144	25.2
111.08067	3.1
115.05440	3.1
117.07007	23.0
119.08561	59.0
121.10132	42.6
123.08037	4.5
123.11703	8.8
127.03911	6.3
128.06215	3.1
129.06952	14.1
131.08545	38.1
133.10112	47.2
135.08069	3.2
135.11682	32.8
137.13147	2.3
143.08492	14.8
145.04973	4.6
145.10091	32.2
147.11667	41.3
149.09628	3.3
149.13222	18.9
155.08502	5.2
157.10081	12.9
159.11674	28.4
161.13205	25.1
163.05992	9.1
163.14748	6.6
169.10120	4.5
171.11583	12.8
173.13242	19.4
175.14821	10.7
183.11659	4.9
185.13234	8.8
187.14827	8.0
189.16354	2.8
197.13275	5.1
199.14816	9.3
201.16295	4.9
211.14809	3.3
213.16386	4.8
215.17810	2.4
239.18011	2.6
241.19510	26.3
243.21039	5.0
257.18942	12.7
259.20551	64.7
261.22131	14.3
275.20087	3.8
306.82602	2.6
315.23160	3.4
333.24185	54.7
335.25751	100.0
336.26004	4.3
337.27255	9.4
351.25327	2.8
442.61505	2.7
519.41492	5.0
593.45660	20.5
611.37439	4.4
611.46643	82.0
612.46472	5.7
701.48468	3.6
719.49048	4.6
737.49945	3.0
755.50305	5.5
906.11780	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	967.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	52.2
69.07053	6.8
71.70281	2.2
79.05482	41.7
81.03394	2.0
81.07043	57.0
83.04975	4.6
83.08603	6.9
85.06542	8.8
90.70432	1.8
91.05466	28.5
93.07030	38.1
95.04956	41.5
95.08595	29.9
97.06521	4.9
97.10186	2.3
105.07024	19.5
107.04947	8.3
107.08591	23.0
109.06496	49.2
109.10153	12.6
111.08057	4.2
113.05990	19.1
117.07018	12.7
119.08569	15.8
121.06528	6.1
121.10144	13.3
123.08052	3.6
123.11624	2.4
129.07008	7.2
131.08566	14.8
133.06442	2.4
133.10123	7.6
135.08035	31.2
135.11655	9.5
137.09645	2.6
143.08548	6.3
145.10103	10.6
147.07990	7.3
147.11691	4.2
149.09616	4.8
149.13243	3.1
156.08238	2.0
157.10109	2.9
157.75714	1.8
159.08061	3.5
159.11650	7.8
161.09596	7.4
163.11212	4.1
171.11694	4.8
173.13235	2.9
177.12805	2.5
182.84587	2.0
185.13408	2.6
187.11160	2.1
199.14835	4.6
217.15875	5.4
227.18059	2.1
255.17470	2.6
273.18436	27.6
280.25772	2.0
291.19489	87.5
310.36194	1.9
335.25769	80.5
335.29776	4.3
336.26077	3.3
347.22195	7.8
365.23090	14.0
502.87122	1.9
607.43616	20.8
625.44525	100.0
626.44696	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	964.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	29.7
69.03405	4.7
69.07051	18.8
70.04383	1.2
71.04972	2.2
71.08618	18.4
73.02907	1.5
79.05479	23.2
81.03400	5.3
81.07043	35.7
83.04963	5.2
83.08604	13.6
85.02897	9.0
85.06525	2.3
85.10174	10.4
91.03947	2.9
91.05456	20.4
93.07024	24.9
95.04955	4.9
95.08591	27.7
97.02886	6.5
97.06514	9.4
97.10153	14.2
99.04422	1.3
99.08038	1.7
105.07007	18.9
107.04928	5.2
107.08584	22.9
109.02917	1.3
109.06534	2.6
109.10126	14.5
111.08097	2.1
117.07029	6.4
119.08551	12.1
121.06507	3.0
121.10137	8.4
123.07998	1.2
123.11684	3.5
125.09621	8.3
127.03886	2.5
129.05460	1.5
129.06958	1.9
131.08539	11.5
133.10101	11.6
135.08038	3.5
135.11633	6.7
141.06964	1.4
143.08502	2.5
145.04985	2.8
145.10094	12.2
147.11653	8.0
149.09579	7.9
149.13251	4.2
151.11197	1.5
155.08521	1.7
157.10130	2.9
159.11653	8.8
161.13266	3.2
163.06104	1.6
163.11172	4.8
169.09970	2.3
171.11644	2.4
173.04477	2.0
173.13272	2.4
177.12740	2.4
179.14313	1.5
183.11665	1.8
189.11214	5.7
197.13393	1.7
227.12720	23.8
229.14397	5.2
229.19414	2.5
239.17821	3.2
239.23737	2.9
247.20566	1.3
255.15927	4.5
257.18933	9.0
269.17465	12.0
275.20010	34.7
293.17255	1.3
293.20972	3.5
313.27304	100.0
314.27698	2.7
331.22531	4.4
339.17804	1.7
349.23676	46.0
367.24689	1.4
389.17990	1.7
413.21426	1.8
417.81873	1.4
438.24637	1.5
467.37006	3.9
483.36581	3.8
491.40939	2.3
493.38751	10.5
507.40390	48.8
508.40289	2.0
547.43256	2.8
587.46619	66.7
588.46735	3.9
605.47711	9.2
651.44794	2.3
749.51001	2.2
847.04968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	38.5
67.32597	1.3
69.03407	6.3
69.07053	22.2
71.04972	3.3
71.08247	1.6
71.08621	20.7
71.20501	3.1
71.20835	1.4
73.02884	2.4
73.32078	1.3
79.05483	30.5
80.67976	1.2
81.03384	4.7
81.07042	42.7
83.04959	7.2
83.08160	2.3
83.08607	23.4
85.02899	11.5
85.10169	15.9
87.05586	1.6
89.06021	1.7
91.03931	4.4
91.05462	21.9
93.07028	26.3
95.04948	17.7
95.08591	34.8
97.02896	7.1
97.06514	8.0
97.10151	11.6
99.04442	2.4
99.08071	1.5
105.07018	23.9
107.04945	5.6
107.08578	28.9
109.06518	3.3
109.10139	14.8
111.04420	3.1
111.08047	2.8
117.06993	10.1
119.08571	17.0
121.06461	3.9
121.10134	9.5
123.08029	2.5
123.11665	4.1
125.09596	7.5
126.51553	1.6
127.03903	3.1
129.06982	4.0
131.08537	15.1
133.10109	16.3
135.08012	3.0
135.11668	6.3
137.13220	1.7
139.11166	2.0
142.07661	1.7
143.08574	2.5
145.05008	2.1
145.10103	14.3
147.08014	2.5
147.11647	5.9
149.09598	14.7
149.13240	2.8
155.08516	2.2
157.10107	2.4
159.10562	1.6
159.11658	8.2
161.09616	1.8
161.13297	1.9
163.11143	9.9
171.11678	3.0
173.13281	4.4
177.12692	2.1
179.14279	1.7
189.11177	4.9
205.12103	2.0
217.15881	2.8
223.13263	6.8
227.12706	11.0
229.14330	2.7
229.19519	2.2
239.17807	3.2
239.23734	3.0
247.20535	1.5
255.15895	7.6
257.19067	8.2
269.17410	11.7
275.20038	37.8
293.21030	12.8
313.27316	100.0
314.27615	3.4
331.22638	5.9
349.23676	34.7
367.24817	16.9
374.87274	1.4
467.37173	2.6
483.36813	4.3
493.38861	8.8
507.40408	26.0
587.46576	51.2
588.46594	3.1
605.47662	38.9
710.24933	1.5
776.81934	1.7
784.89313	1.6
924.62567	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	964.6186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	41.1
69.03410	6.4
69.06686	1.6
69.07055	21.0
70.12809	4.7
71.04977	2.0
71.08619	23.7
73.06550	1.0
79.05479	27.2
81.03404	9.1
81.07041	54.9
83.04972	7.3
83.08603	14.3
85.02895	10.7
85.06528	2.9
85.10165	12.6
89.06006	1.5
91.03931	4.3
91.05463	23.3
92.05746	1.1
93.07029	30.8
95.04939	6.4
95.08002	2.4
95.08586	30.8
97.02859	7.0
97.06511	8.1
97.10147	6.7
99.04444	2.2
99.08078	4.3
103.07504	1.2
105.07013	18.2
107.04943	5.7
107.08570	17.7
109.02863	1.5
109.06506	3.4
109.10136	13.7
111.08049	3.7
112.81814	0.9
113.05978	1.2
113.09560	1.1
117.07015	10.3
119.08556	13.4
121.06493	2.6
121.10121	9.5
123.08058	2.8
123.11686	4.0
125.09593	2.1
127.03898	5.4
129.05437	2.1
129.06949	2.2
131.08543	9.7
133.10104	11.8
135.08014	3.1
135.11671	9.2
137.09578	2.3
137.13266	1.0
141.07010	1.2
143.08557	2.8
145.04927	2.3
145.10100	9.1
147.11673	6.1
149.09575	6.7
149.13188	7.5
157.10083	2.5
159.11650	9.7
161.13171	2.2
163.11156	4.2
169.10011	1.3
171.11696	2.6
173.04469	2.3
173.13257	1.9
175.11162	1.2
177.12787	2.0
187.11005	1.3
189.11234	1.4
195.13704	5.4
217.15955	1.4
219.13779	1.2
227.12775	4.4
239.17908	2.6
239.23611	3.7
247.20624	2.2
251.16377	1.4
255.15897	11.8
257.18958	6.4
267.15796	2.7
269.17429	37.5
275.16931	0.9
275.20001	23.6
276.20319	1.5
291.19199	1.1
293.17438	1.0
293.21115	2.7
303.15875	1.0
309.20282	1.2
311.25302	1.1
313.27310	91.8
314.27698	3.7
321.24277	1.0
331.22641	3.0
339.17801	1.4
349.23682	26.6
367.24765	4.1
395.20633	1.4
413.21512	3.8
467.37332	1.9
493.38754	19.6
494.38571	1.8
507.40393	100.0
508.40479	3.0
521.75006	1.2
547.43524	3.5
561.41003	1.7
569.45728	1.3
587.46564	37.6
588.46564	2.7
605.47589	13.3
651.44244	3.1
731.50256	1.4
749.51093	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	963.181
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.4
69.03407	1.8
69.63291	0.7
69.63717	1.0
75.19780	0.2
81.03399	0.4
85.02881	0.8
93.03373	0.3
95.04909	0.3
95.74359	0.2
96.34879	0.2
97.02863	0.4
99.04518	0.2
105.40710	0.2
107.01251	0.2
109.02863	0.6
111.04419	4.5
111.44109	0.2
121.02844	100.0
122.03165	0.9
122.18896	0.2
127.03885	0.9
139.03860	0.8
140.98555	0.2
147.04314	0.2
149.02316	0.3
153.01793	0.4
165.01854	0.5
177.01761	1.4
182.67404	0.2
183.02870	0.5
187.03961	0.3
191.03375	0.5
195.02940	0.3
203.03362	0.3
205.04918	0.2
211.03745	1.0
215.03282	0.3
216.89005	0.2
217.04912	0.6
227.03346	1.0
228.04131	1.2
229.04898	0.5
233.04660	0.3
239.03392	0.5
241.04974	0.5
243.02802	0.3
244.03618	1.1
245.04422	2.2
253.04857	0.3
255.02870	1.6
256.03632	3.6
257.04382	3.4
260.03131	0.5
261.03995	0.7
265.07126	0.7
267.02847	1.4
268.03595	0.3
269.04413	1.0
270.05118	0.5
271.05872	0.3
272.03101	2.1
273.03891	4.9
274.04593	1.3
275.05450	0.4
281.04468	0.3
282.05405	0.3
283.02380	0.8
283.08096	12.6
284.03110	7.6
284.08060	0.3
285.03879	12.2
286.04398	0.5
294.05173	0.4
296.03290	0.5
297.03885	1.4
298.04645	1.5
299.05469	1.4
302.04114	1.1
303.04886	2.2
307.05731	0.2
309.03903	0.5
310.04730	0.6
311.05380	0.4
312.06091	0.4
317.04333	0.2
321.03931	0.6
322.04779	0.5
323.05469	0.6
324.06317	0.4
325.03421	0.3
326.04147	0.4
327.04874	0.3
333.03989	0.3
335.05539	0.8
338.03983	0.3
339.05109	0.3
345.03812	0.5
347.05533	0.3
349.03491	0.6
350.04187	0.8
351.04791	1.2
359.05612	0.3
361.03220	0.4
363.04855	1.1
366.03882	0.4
373.03244	0.5
379.04440	0.7
380.05121	1.7
381.06161	0.5
387.04752	0.3
390.03610	0.4
391.04407	1.3
401.06433	0.3
404.05194	0.4
409.05484	1.2
412.20013	0.3
417.06540	0.3
421.02225	0.4
423.08890	0.4
433.05447	0.6
435.03436	0.3
445.05347	0.3
455.08041	0.3
457.05334	0.4
465.05774	0.2
493.05511	0.4
509.04956	0.5
511.06696	0.8
513.04492	0.5
521.05023	0.7
525.04230	0.4
527.06061	1.8
529.06683	0.3
531.05872	0.6
535.06787	0.3
537.04401	3.7
538.05127	0.4
539.05823	1.9
543.05499	1.7
545.06958	3.4
549.03387	0.3
551.05908	0.8
552.51727	0.2
553.08063	0.3
555.05566	4.6
557.07141	1.2
561.06458	1.9
563.06055	0.6
567.05432	4.7
569.06903	1.1
571.05365	0.3
573.06702	2.1
574.06555	0.2
577.07758	0.6
579.05731	0.7
581.07019	1.9
585.06543	31.3
586.07007	1.3
591.05157	0.5
593.06671	0.4
595.08484	0.8
597.06232	1.5
599.08197	1.0
603.07507	6.3
605.06824	0.5
609.06519	7.5
611.08191	0.4
613.09357	0.3
615.06494	0.5
621.06213	1.8
623.08148	0.9
627.07526	6.3
633.06525	2.2
639.07562	3.8
645.07288	0.4
651.07617	6.2
652.08698	0.2
657.08868	1.1
663.08411	0.5
669.08630	6.0
675.09045	0.6
681.08527	0.6
687.09705	7.0
688.09833	0.4
693.08636	1.6
705.10553	5.1
711.09705	0.7
717.08844	0.6
723.10101	4.4
729.10992	1.1
735.09619	1.0
741.11493	0.4
747.09924	1.1
753.10413	0.7
759.10834	1.1
771.11414	1.1
777.11169	0.3
789.12085	1.6
807.12830	2.2
825.13342	2.2
843.13647	2.5
849.12531	0.3
867.13599	0.4
879.13831	0.4
927.16266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	0.4
69.03416	1.4
70.94346	0.2
70.94682	0.3
72.50405	0.2
78.21416	0.2
79.01855	0.2
81.03395	0.4
85.02892	0.5
93.03394	0.3
95.04942	0.5
95.12134	0.2
97.02862	0.5
109.02847	0.6
111.04424	4.1
121.02847	100.0
121.03807	3.1
122.03175	1.2
127.03919	1.1
139.03880	0.8
161.05913	0.2
165.01825	0.3
167.03406	0.2
177.01907	0.5
183.02867	0.2
194.02072	0.2
200.04692	0.2
205.05077	0.2
211.03880	0.5
215.03586	0.2
217.04948	0.4
227.03354	1.2
228.04126	0.9
229.04953	0.4
231.02867	0.3
232.03693	0.2
239.03336	0.3
241.04982	0.5
242.05748	0.5
243.02864	0.5
244.03600	0.8
245.04375	1.7
246.05214	0.4
253.04927	0.3
254.05896	0.2
255.02837	1.8
255.06638	0.2
256.03625	3.1
257.04367	2.0
260.03146	0.6
261.03958	0.5
265.07184	0.9
267.02805	0.6
268.03555	0.2
269.04291	0.9
270.05206	0.7
271.02429	0.4
271.06018	0.5
272.03101	3.7
273.03870	5.3
274.04660	1.7
275.05392	0.4
277.05054	0.2
281.04395	0.3
282.05075	0.2
283.02451	1.0
283.08112	11.8
284.03128	8.1
284.05722	0.2
285.00656	0.4
285.03879	8.1
286.04669	0.2
293.04379	0.3
294.05191	0.4
295.06052	0.3
296.03177	0.7
297.03903	1.4
298.04636	2.5
299.05368	1.1
302.04144	2.1
303.04968	2.4
309.03876	0.3
310.04739	0.6
311.05524	0.4
312.06192	0.6
313.06992	0.3
319.05954	0.2
321.04044	0.2
322.04755	0.7
323.05499	0.5
325.03381	0.5
326.04080	1.0
327.05066	0.6
333.03833	0.3
335.05460	0.4
338.04169	1.0
339.04855	0.5
340.05731	0.2
345.03976	0.3
347.05518	0.4
349.03497	0.4
350.04080	1.9
351.04971	0.7
361.03342	0.2
363.05280	0.8
368.05289	0.5
375.05008	0.2
379.04367	0.4
380.05411	1.0
381.06229	0.4
390.03836	0.3
391.04361	1.5
403.04434	0.3
404.05267	0.3
409.05698	0.4
421.05615	0.7
427.04263	0.2
445.05344	0.3
457.05472	0.3
465.05829	0.2
481.05194	0.4
483.07294	0.3
493.05823	0.5
499.06363	0.2
509.04846	1.4
511.06543	0.4
515.07104	0.3
517.05444	0.2
519.03857	0.4
521.04791	0.5
525.04517	0.3
527.06024	1.8
529.06836	0.2
531.05591	0.8
535.06470	0.3
537.04370	2.2
538.05347	0.4
539.05884	1.1
543.05420	1.1
545.07007	4.7
549.04553	0.6
551.05969	0.5
555.05530	6.1
556.06689	0.3
557.06805	0.6
561.06543	1.9
563.05829	0.6
567.05530	4.2
569.06689	0.7
571.04926	0.4
573.06506	3.3
577.07086	0.4
579.05493	0.6
581.06989	1.5
585.06537	22.1
586.07019	0.8
587.06091	0.3
591.05542	0.5
593.06726	0.3
595.08789	1.0
597.06348	1.5
599.08441	0.9
601.06665	0.2
603.07587	6.6
605.06628	0.4
609.06549	6.1
610.06958	0.2
611.08490	0.3
615.06897	0.5
621.06476	1.8
623.08411	1.0
627.07538	6.1
628.08209	0.3
633.06390	1.5
639.07617	5.2
640.07953	0.3
645.08813	0.5
649.09906	0.2
651.07593	7.8
652.07703	0.3
657.08508	2.1
663.08972	0.6
669.08630	8.1
675.08771	0.8
681.08258	0.7
687.09656	8.7
688.09912	0.3
693.08636	2.3
705.10602	5.5
711.09552	0.7
717.08643	0.8
723.10034	3.2
729.10822	1.3
735.09430	1.0
741.10358	0.8
747.09845	0.8
753.10791	1.0
759.10675	1.3
771.11450	1.4
777.10547	0.7
789.11810	2.2
807.12762	2.4
825.13165	2.2
843.13831	0.9
909.15222	0.3
927.15997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.4
69.03421	2.3
70.94961	0.7
73.02921	0.3
78.18240	0.3
79.01889	0.3
81.03411	0.6
85.02905	0.5
95.04957	0.4
97.02885	0.8
109.02854	0.4
111.04434	4.5
121.02847	100.0
121.03835	3.3
122.03171	1.6
127.03889	1.0
139.03857	1.0
150.41583	0.3
151.92558	0.3
177.01845	1.1
199.03909	0.4
200.04684	0.3
205.04872	0.4
211.03873	1.1
215.03459	0.4
217.04898	0.6
218.01979	0.3
227.03398	1.1
228.04147	1.1
229.04897	0.6
231.02911	0.5
232.03775	0.5
239.03474	0.4
241.04953	0.4
244.03741	0.9
245.04451	2.2
253.04962	0.5
255.02832	1.3
256.03625	3.4
257.04364	2.3
261.04044	0.4
265.07172	0.7
267.02853	1.5
268.03500	0.5
269.04544	0.9
270.05151	1.0
271.06018	0.6
272.03104	2.5
273.03870	5.7
274.04590	1.3
283.02591	0.7
283.08099	13.9
284.03104	7.2
285.03903	11.9
285.07202	0.4
286.04437	0.8
294.05209	0.4
296.03180	0.7
297.03967	1.7
298.04672	1.1
299.05466	1.5
302.04251	1.1
303.04843	2.4
306.05017	0.4
310.04572	0.7
311.05582	0.5
321.04172	0.4
322.04468	0.4
323.05267	0.5
324.06271	0.5
325.03409	0.4
327.04901	0.6
333.03845	0.5
335.05609	0.9
339.04865	0.6
349.03427	0.6
350.04205	0.8
351.04974	0.7
363.05032	0.9
366.03772	0.6
380.05020	1.5
381.06171	0.7
383.90701	0.4
390.03586	0.4
391.04401	1.4
403.04462	0.3
404.04947	0.4
409.05582	1.0
422.02753	0.4
465.06036	0.4
481.05420	0.3
509.04575	0.4
511.07108	0.7
513.04498	0.4
521.04810	0.8
527.06329	1.8
531.05768	0.7
535.07013	0.5
537.04279	2.5
539.05652	1.7
543.05377	1.0
545.07086	3.2
547.06970	0.4
549.03925	0.4
551.05621	0.4
553.06781	0.5
555.05615	5.0
557.06738	0.7
561.06750	2.3
563.06183	0.8
567.05383	4.9
569.06964	1.5
573.06744	2.4
577.07245	0.4
579.05450	0.6
581.07446	2.0
585.06555	33.8
586.06873	1.9
593.06897	0.4
597.06445	1.8
599.07965	0.6
601.07086	0.4
603.07544	7.7
605.08093	0.4
609.06573	7.9
610.07111	0.5
621.06592	1.4
623.08002	0.8
627.07660	6.4
628.07642	0.5
633.06476	1.4
639.07520	4.7
640.08063	0.4
645.07904	0.4
650.96997	0.7
651.07599	8.0
657.08948	1.9
663.08044	0.7
669.08636	7.3
670.09009	0.7
675.08765	0.9
681.08820	0.6
687.09723	7.2
688.09314	0.5
693.08704	1.7
705.10614	6.1
706.10968	0.9
711.09485	0.9
717.08899	0.5
723.10144	4.9
724.11108	0.4
725.26709	0.4
729.10651	1.0
730.12964	0.3
735.09247	0.7
741.10211	0.6
747.10309	1.3
753.10950	0.7
759.10498	1.0
771.11389	1.2
789.11981	1.8
807.12799	2.9
825.13440	2.3
843.14056	1.7
867.13104	0.6
909.15723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05189	4.7
67.05504	10.9
69.03413	2.9
69.07060	12.6
69.61795	10.6
71.08623	9.5
79.05473	5.9
81.07044	10.2
83.04952	2.6
83.08605	7.4
85.02903	2.7
85.10160	4.0
88.90488	1.2
91.05463	7.0
93.07041	7.2
95.04957	4.7
95.08581	12.5
97.02893	4.8
97.10148	6.8
98.21454	2.6
105.07006	5.5
107.04929	3.1
107.08562	3.1
109.06528	2.2
109.10147	5.3
117.06985	2.6
119.08568	2.5
121.06473	2.6
121.10130	4.0
123.08010	1.5
123.11647	1.5
125.09628	3.4
131.08511	2.3
135.08035	1.7
139.84354	1.3
145.10094	1.3
147.07996	2.7
161.09596	2.0
189.11093	1.8
223.13235	7.2
227.12740	3.1
245.11221	1.5
249.14780	1.3
273.18488	8.9
291.19489	52.4
292.19601	1.7
313.27322	62.9
347.22009	3.4
365.23172	49.1
523.39758	5.7
585.45184	7.6
603.46106	100.0
604.46002	4.0
746.19659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	72.7
69.03416	3.7
69.07058	16.2
71.01934	2.6
71.04976	2.5
73.02908	4.8
79.05022	2.2
79.05482	46.6
81.03415	1.4
81.07046	62.9
82.07381	1.4
83.04961	2.4
83.08612	7.9
85.02893	18.5
85.06519	1.9
91.03944	11.1
91.05465	30.3
93.06432	2.0
93.07030	54.7
95.04961	5.8
95.08592	55.8
96.08886	1.0
97.02895	8.7
97.06529	3.4
97.10152	3.2
99.04469	1.2
99.08116	1.7
105.04487	1.3
105.07018	21.2
107.08578	31.2
109.06502	1.6
109.10146	26.2
111.08050	1.7
115.03884	0.9
115.05466	1.2
117.07008	9.6
119.08563	20.4
121.10122	25.8
123.11694	9.6
124.83092	0.9
125.09574	1.8
127.03895	5.1
129.05455	1.2
129.06966	1.9
131.08548	15.8
133.10112	16.4
135.07986	1.1
135.11674	18.0
137.09634	1.4
137.13245	4.0
143.08556	3.5
145.04933	6.1
145.10097	13.3
147.11667	13.0
149.09637	1.4
149.13248	9.7
151.11176	1.2
151.14766	1.1
151.73956	1.0
157.10159	2.3
159.11674	10.4
161.13239	9.1
163.06006	6.8
163.14749	5.7
171.11700	2.7
173.13255	8.7
175.14836	4.1
177.16386	1.9
183.11580	1.3
185.13210	2.7
187.14798	4.0
189.16284	1.1
199.14825	2.3
201.16389	1.5
213.16406	1.6
215.17838	1.3
219.17233	1.3
231.21016	1.2
233.22409	1.2
241.19493	3.7
243.21022	5.5
257.22955	1.2
259.20572	11.9
261.22122	20.8
263.23572	1.5
279.23047	1.4
295.57590	1.2
317.24686	3.2
333.24115	8.5
335.25757	100.0
336.26074	3.5
337.27353	13.5
381.38269	1.0
381.44312	1.0
383.33496	1.0
416.97000	1.1
521.43317	4.3
539.43701	1.3
543.40674	1.0
595.47211	14.8
613.48181	20.0
636.38361	1.2
819.84100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	51.2
69.03407	2.8
69.07056	16.0
69.41381	2.7
69.41805	4.2
71.04980	17.9
73.02902	2.1
73.06538	1.3
79.05018	1.5
79.05480	29.4
81.03405	2.4
81.07042	100.0
83.04966	6.0
83.08609	10.6
85.02892	7.5
85.06516	6.9
91.03955	3.5
91.05463	33.6
93.07027	30.1
95.04951	8.3
95.08594	21.5
97.02867	3.7
97.06514	8.9
97.10143	3.2
98.21450	1.5
99.04456	0.9
99.08081	2.7
105.07012	25.4
107.04943	5.3
107.08572	20.3
109.02855	0.9
109.06501	20.2
109.10134	10.2
111.04452	0.9
111.08050	4.7
113.09693	0.7
114.59575	0.6
115.05410	1.3
117.07008	8.1
118.06522	1.0
119.08556	16.9
121.06494	4.7
121.10117	14.5
123.08044	5.7
123.11685	11.7
125.09608	2.8
127.03893	1.9
127.07526	0.9
128.06209	0.7
129.07008	2.8
131.08556	11.4
133.06511	1.6
133.10109	23.4
135.08037	4.0
135.11664	6.9
137.09615	2.9
139.11209	0.7
141.06970	1.1
143.08531	1.6
145.04895	1.0
145.06595	0.8
145.10110	8.9
147.08018	1.8
147.11658	14.2
149.09593	6.9
149.13235	10.1
151.11154	6.3
155.08553	1.4
157.10138	2.6
159.08029	0.7
159.11664	8.9
161.09686	1.5
161.13225	2.6
163.05975	0.8
163.11143	5.0
163.14795	1.9
165.12738	3.5
169.10147	1.7
169.12131	0.8
171.11652	2.3
173.04521	0.9
173.09634	1.2
173.13255	2.7
175.11189	1.7
175.14853	0.9
177.12688	3.2
179.14346	1.2
183.11647	1.6
183.13812	2.6
185.13327	1.1
187.11221	1.4
187.13281	3.8
187.14836	1.5
189.12743	0.8
191.14352	1.3
193.12250	1.4
195.13820	2.7
197.13255	1.5
201.12852	1.0
215.17999	0.6
218.11862	1.9
225.14876	2.3
229.14175	0.7
229.19476	1.5
239.17921	1.1
241.14384	1.8
243.15901	9.6
247.20578	3.1
251.16469	2.2
256.54388	0.8
257.18991	2.9
259.20541	1.0
267.15814	3.7
269.17422	14.6
275.20026	38.0
276.20444	1.2
292.19025	2.1
293.21555	3.5
301.19925	18.7
319.22815	1.3
349.23727	17.4
367.24734	9.5
375.25250	2.8
397.72562	0.7
417.30054	0.7
437.29248	1.2
445.24161	1.5
451.25806	0.7
451.32190	0.9
469.33310	0.9
479.30185	0.9
499.34048	1.5
515.37030	1.0
517.35187	47.5
518.35498	1.7
525.35846	3.7
531.36743	5.7
535.36243	7.5
543.36725	87.1
544.37018	3.6
549.37500	2.6
561.37775	48.5
562.38208	2.1
575.39362	38.7
576.39563	2.3
593.40350	16.8
594.41010	0.9
687.41974	1.1
719.43274	1.8
737.44458	2.1
952.55542	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	951.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	90.6
69.03401	13.5
69.07056	27.5
71.04966	6.5
71.69827	4.9
73.02898	8.5
75.31119	2.7
79.05476	83.9
81.03398	13.6
81.07043	86.9
83.04955	12.2
83.08609	21.6
85.02893	28.2
85.06578	4.0
91.03947	13.7
91.05462	61.7
93.07028	81.9
95.04956	17.7
95.08592	59.9
97.02871	21.1
97.06511	36.2
97.10147	21.9
105.07009	56.2
105.07632	5.1
107.04913	17.4
107.08577	61.3
109.02892	4.3
109.06498	8.8
109.10130	26.2
111.08073	5.6
115.05495	3.5
117.07014	20.2
119.08552	35.3
121.06492	6.3
121.10126	26.5
123.08061	6.3
123.11641	6.9
125.09612	17.1
127.03893	11.8
128.06227	3.2
129.06956	8.1
131.08542	28.9
133.06363	3.1
133.10117	27.1
135.08000	9.3
135.11697	18.8
137.09599	6.5
142.43684	2.6
143.08543	9.7
145.04971	6.2
145.06406	4.3
145.10088	23.2
147.11674	21.9
149.09613	20.4
149.13216	7.9
151.11180	3.7
155.08530	5.6
157.10075	6.1
159.11639	15.0
161.09610	4.7
161.13217	8.3
163.07487	2.8
163.11166	9.3
169.10132	5.5
171.10327	3.1
171.11670	6.2
173.11792	4.2
173.13257	9.1
177.12752	5.3
183.11678	5.0
185.13263	2.9
187.14775	5.0
189.11195	15.2
189.12622	2.9
223.39784	2.7
227.12733	35.9
229.14255	3.8
231.17218	3.1
245.13631	3.8
255.17131	3.3
257.18991	10.6
259.20483	6.8
261.22156	16.2
275.20023	56.0
293.21155	4.9
331.23068	3.7
333.24188	2.9
335.25739	100.0
337.27286	4.9
349.23706	44.3
367.25101	4.4
373.24048	3.8
431.31421	6.3
489.35666	4.2
505.35312	18.2
513.39294	9.0
609.35730	4.8
609.45056	69.8
610.45660	5.2
627.46051	30.4
651.45721	3.5
693.47382	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	951.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	20.3
69.03021	2.5
69.03396	6.1
69.07051	6.4
70.06568	4.4
71.04967	2.7
71.70982	2.2
72.08160	2.2
73.02911	3.6
79.05486	18.3
81.03409	6.8
81.06604	3.1
81.07044	40.1
83.04981	1.8
83.08604	3.1
84.04488	2.1
85.02882	13.5
91.03938	4.8
91.05460	15.4
93.07029	15.1
95.04938	4.1
95.08578	11.8
97.02885	8.7
97.06509	3.1
101.91402	1.8
105.06998	12.7
107.04920	2.3
107.08588	8.6
109.02871	2.0
109.06458	2.8
109.10146	2.7
111.08028	1.8
117.06989	6.0
119.04899	2.7
119.08560	6.7
121.02822	2.5
121.10108	6.2
123.04427	2.0
123.08054	2.8
127.03933	1.9
127.65920	1.8
129.06982	3.4
131.08537	4.1
133.10066	2.9
137.05963	4.3
145.10077	5.3
147.11639	4.2
153.01790	4.5
159.11586	2.1
159.34721	1.6
163.11153	2.1
167.07054	4.4
177.05525	2.6
191.06833	2.5
207.06436	2.2
211.03876	1.8
225.05641	2.3
227.06996	2.1
239.03220	2.4
241.04912	5.4
255.06476	2.6
257.04376	6.0
258.05219	3.6
259.05829	3.2
267.02744	3.0
267.06528	2.4
269.04367	12.6
271.06024	5.2
273.03873	22.9
274.04483	1.7
275.05322	2.4
275.20084	3.1
277.04907	2.9
279.06552	2.6
281.04456	5.4
282.05173	2.3
283.06024	9.2
284.03223	11.9
284.06116	2.3
285.03906	71.1
286.04526	5.6
287.05432	18.3
294.05075	4.2
295.05875	13.7
296.06689	1.9
297.03909	100.0
297.07199	5.0
298.04630	18.4
299.05396	20.6
303.04694	2.1
305.04343	2.0
307.05911	9.8
308.06812	2.5
309.03857	8.5
309.07550	5.2
310.04675	14.9
311.01813	3.6
311.05426	71.7
312.05945	6.1
313.03345	7.4
313.07001	6.6
315.05026	8.1
319.05936	7.2
321.04068	10.5
321.07407	3.4
322.04510	4.5
323.01901	3.3
323.05502	32.7
323.08951	3.9
324.06088	5.9
325.03235	5.9
325.06995	12.0
326.04147	4.4
327.04962	9.6
333.07559	4.9
334.04642	5.5
335.05383	15.1
335.08975	3.0
336.06155	4.7
337.03354	2.5
337.06937	18.2
337.10535	3.0
338.04132	2.8
338.07874	3.4
339.04889	30.8
339.08499	3.7
340.05301	3.8
341.06662	3.2
347.05365	7.4
347.09134	3.5
348.06210	2.7
349.06952	20.7
350.04330	4.0
350.07840	5.8
351.04874	18.5
351.08658	5.9
352.05554	4.2
352.09464	4.3
353.06390	4.7
353.10144	9.4
355.11749	3.8
359.05298	4.4
361.06927	6.9
361.10754	2.8
362.07681	2.1
363.04828	21.5
363.08640	7.6
364.05484	5.9
365.06360	4.2
365.10211	49.2
366.11069	3.1
367.11743	11.4
369.05945	3.2
373.06793	3.5
375.08698	6.0
376.05524	2.7
377.05902	3.3
377.10522	11.1
379.12122	11.5
381.05988	5.4
389.10199	7.3
391.04114	2.4
391.11862	8.5
393.13754	2.9
395.11255	12.6
399.08368	2.2
403.11731	5.3
405.13217	4.4
407.11072	4.5
419.10956	11.5
421.12442	2.1
431.10864	8.5
435.10486	2.6
443.11108	3.1
449.16315	3.2
461.16415	4.0
463.17798	3.8
473.15802	13.9
487.17352	4.8
491.17020	4.0
501.23099	2.2
503.16953	2.9
513.22729	2.8
515.17029	7.5
517.22003	3.7
519.23438	4.2
531.23419	7.0
539.16498	3.3
541.22107	40.8
545.17853	2.8
547.22791	6.1
555.24023	2.1
557.18317	3.1
559.23218	49.9
560.23267	3.8
565.23627	3.3
573.24554	3.3
577.24243	9.2
579.23199	2.7
583.23151	17.6
597.24750	4.0
601.24316	18.8
603.25659	6.1
606.20117	2.9
607.22400	5.0
609.26489	4.7
613.23999	7.2
615.25879	8.9
619.24719	2.4
621.26825	49.3
622.26434	3.1
625.24255	30.1
631.24493	5.6
633.26831	87.7
634.26831	7.2
639.27142	12.1
643.25226	34.7
644.26135	3.0
651.27911	27.0
652.27716	3.6
657.26996	18.6
661.26099	18.2
669.28827	2.8
675.27917	50.7
676.27649	3.7
679.26959	6.7
687.27985	18.9
693.28741	9.0
699.27960	28.5
700.27600	2.6
705.29065	26.1
706.28845	3.5
717.28802	37.6
718.28900	5.1
735.29962	35.1
753.17804	2.3
753.31024	39.9
754.31079	5.6
771.32025	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	951.384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05143	0.7
67.05490	12.6
68.05837	0.7
69.03036	0.8
69.03413	3.7
69.07054	4.9
70.06580	1.4
71.04973	1.0
71.22286	1.5
72.48765	0.5
73.02906	1.7
78.41024	0.6
79.05480	12.9
81.03421	4.2
81.07040	23.8
82.07363	0.8
82.27021	0.5
83.04951	2.1
83.08598	4.2
84.08124	1.4
85.02876	6.3
86.09664	1.8
91.03927	1.8
91.05457	15.3
93.07031	11.5
95.04946	6.8
95.08579	7.6
97.02872	4.9
97.06494	2.6
97.10138	2.0
99.08069	0.9
105.07004	12.2
106.07331	1.1
107.01289	1.0
107.04930	2.2
107.08562	6.1
109.02866	0.9
109.06482	3.6
109.10125	2.9
115.05434	1.7
117.06979	6.3
119.08559	9.8
120.08086	0.8
121.02816	1.0
121.06498	1.6
121.10101	3.1
121.52050	0.6
123.08066	1.1
123.11657	1.5
125.09560	0.9
126.72383	0.7
127.03876	1.3
129.02988	0.6
129.05403	0.8
129.06987	1.8
131.08545	5.7
133.06432	1.3
133.10080	5.4
135.08011	1.7
135.11673	1.8
137.09572	0.8
141.06949	1.2
143.08569	1.3
145.06470	1.5
145.10139	4.6
147.11708	4.5
149.09592	2.6
149.13206	1.0
151.03854	0.7
151.11116	0.9
153.01772	1.4
155.08325	0.7
157.10103	1.3
159.11671	2.7
161.13263	1.1
163.11157	2.8
165.12671	1.2
166.94482	0.6
173.13205	1.1
175.03703	0.7
175.11078	1.0
185.13220	1.2
187.03914	0.9
193.12251	0.8
197.05841	0.9
211.03899	3.8
217.04884	1.1
219.02867	2.3
221.05981	1.0
225.05402	2.9
227.03436	1.5
229.04942	2.8
231.02800	1.0
239.03340	1.9
239.07242	0.8
241.05006	1.8
243.02763	1.5
243.06384	1.1
244.03638	1.4
245.04460	5.3
252.04173	0.8
253.04941	3.0
254.05513	0.8
255.02951	1.3
255.06346	0.8
256.03668	1.4
257.04401	19.4
257.18951	1.9
260.03217	3.8
261.03836	9.0
263.01932	1.6
265.05005	1.5
266.05707	0.8
267.02759	3.9
267.06119	0.7
268.03488	1.1
268.26993	0.7
269.04376	2.8
270.05118	1.6
271.02765	1.0
271.05988	8.8
272.03082	7.9
273.03879	100.0
274.04553	5.1
275.05536	4.1
275.19983	4.0
277.04846	1.0
279.06473	1.0
281.04391	4.4
282.05133	0.9
283.02307	2.7
283.05969	1.8
283.15353	0.9
284.03088	2.6
285.03882	65.8
286.04352	1.6
287.02090	1.1
287.05466	2.6
293.04395	1.6
294.04977	1.3
295.02557	1.1
295.05920	5.5
296.03094	1.3
297.03937	8.6
298.04626	3.9
299.01871	3.0
299.05399	29.4
299.15005	1.3
302.04099	1.9
303.04929	28.1
305.04391	1.9
307.06000	1.3
309.03885	2.7
310.04559	1.8
311.05386	6.6
312.06250	1.1
313.03442	1.7
313.06882	9.4
315.04883	1.6
321.03821	2.9
321.07404	0.8
322.04672	2.2
323.05481	7.7
325.03378	2.6
325.06967	1.4
326.04102	2.8
327.04926	23.0
333.07236	0.9
335.05374	1.4
337.03317	0.8
337.07111	1.2
338.04080	3.8
339.04916	17.8
339.08942	0.9
340.05307	0.7
341.06390	1.6
347.05310	1.6
349.06952	1.5
349.23596	1.9
350.04108	7.5
350.24219	1.0
351.04926	13.6
351.08807	1.3
353.06403	1.3
357.06174	1.2
365.10181	1.8
368.05109	1.3
369.06042	11.2
377.10269	1.9
387.07153	2.3
391.11917	1.0
395.11014	1.6
405.08313	1.9
407.10895	0.8
473.16339	1.4
501.22751	3.5
517.21936	1.4
519.23645	4.1
529.22144	1.7
535.22974	1.0
541.22101	9.9
547.23322	3.4
555.23688	0.8
559.23254	10.8
565.23346	2.4
573.34039	1.5
574.34406	1.6
575.35522	1.0
577.24292	8.5
583.23083	5.6
591.25775	3.1
592.35223	1.1
595.23932	1.3
601.24176	4.7
603.25684	1.0
607.23218	2.0
609.26587	2.4
613.23883	1.7
615.25507	6.5
619.24829	1.5
621.26825	10.6
625.24219	7.7
631.25214	3.4
633.26801	25.0
639.28003	10.1
643.25336	11.7
649.25793	1.0
651.27911	23.2
651.38849	1.7
652.28149	1.1
657.26868	9.1
661.26276	8.7
669.28479	2.8
675.17139	1.0
675.27863	14.0
676.27856	1.0
679.27338	7.6
681.36072	1.0
682.37292	1.1
687.27899	7.3
693.28632	3.1
697.28040	2.0
699.27747	10.1
700.37579	0.8
705.28882	14.0
706.28204	1.1
717.28876	23.0
718.28180	1.1
723.29773	2.1
735.29913	30.1
736.29858	1.4
753.31049	38.8
754.19147	0.8
754.31433	2.6
771.31958	16.2
771.44757	0.8
772.31836	1.4
789.32867	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	949.5495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	71.3
69.03417	31.3
69.07050	32.2
71.04968	11.8
71.70077	6.0
73.02911	8.7
76.70872	3.9
79.05483	61.3
81.03406	49.7
81.07044	100.0
82.61330	3.8
83.04961	17.6
83.08611	18.7
85.02881	30.7
85.06525	5.1
87.04447	4.8
91.05461	73.0
93.07023	70.7
95.04956	15.5
95.08583	46.2
97.02876	30.6
97.06512	10.5
97.10159	8.4
99.04441	9.1
103.05449	5.7
105.07005	74.9
107.04939	14.5
107.08564	39.8
108.71114	4.2
109.02869	12.1
109.06501	11.8
109.10138	30.3
111.08046	7.0
117.06977	31.3
119.08577	44.5
121.10151	23.8
123.08052	9.2
123.11718	7.0
125.09603	6.5
127.03896	18.5
128.06239	6.8
129.06984	22.1
131.08545	43.7
133.06483	5.1
133.10112	43.0
135.08038	6.3
135.11639	12.6
137.09529	4.8
141.07016	6.7
143.08557	22.1
145.10107	38.0
147.08028	5.1
147.11674	29.1
149.13234	14.4
155.08527	12.5
157.10107	18.2
159.11705	23.6
161.09645	6.9
161.13228	11.9
163.11171	5.0
165.09074	4.9
165.12762	6.8
167.08502	10.6
169.10080	13.8
171.11687	17.1
173.04439	23.5
173.13297	16.1
181.10088	10.7
183.11707	19.1
185.13232	11.3
187.14833	10.7
195.11711	10.4
195.13745	6.1
197.13190	17.3
209.13199	9.9
211.14746	5.9
223.14778	5.7
241.19637	8.7
247.83432	4.9
257.15970	4.4
259.20596	16.4
261.22043	6.1
267.15955	13.4
269.17633	5.4
275.19958	22.5
333.24246	19.9
335.25763	11.4
349.23816	7.5
358.78616	4.2
385.23309	5.0
435.32178	7.1
442.53070	4.9
469.84204	4.8
509.35873	5.1
513.35724	11.0
515.37872	5.8
527.37164	18.2
558.39240	5.1
607.43286	44.0
625.44507	65.4
635.39081	7.2
653.39935	11.6
671.40698	12.2
689.42181	18.5
769.48047	13.0
787.49817	8.4
841.55243	5.2
850.17731	5.0
949.53705	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	937.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.0
67.69725	0.2
69.03419	2.9
69.07067	0.7
70.47118	1.1
71.01344	0.5
71.04983	0.4
71.08634	0.8
73.02908	4.2
79.05488	1.6
81.03393	1.5
81.07039	2.6
83.08617	0.9
85.02895	5.2
85.03396	0.4
85.10195	0.5
86.30930	0.2
88.06323	0.2
91.03951	3.1
91.04411	0.3
91.05485	0.9
93.07024	1.5
95.04931	0.4
95.08587	1.7
97.02879	5.0
99.04482	0.8
101.02357	1.3
103.03892	0.3
104.99294	0.3
105.07032	0.5
107.08624	0.8
109.02919	0.8
109.10147	0.7
119.08578	0.5
121.10143	0.6
123.11729	0.4
123.81279	0.3
127.03872	1.8
129.05528	0.3
135.11671	0.4
145.04961	0.6
147.11745	0.3
174.08832	0.3
185.04248	0.9
203.05179	0.6
243.08351	1.6
248.48985	0.3
286.99127	0.5
313.27432	0.4
335.26025	0.4
347.09525	1.7
365.10699	0.9
405.13602	4.7
421.79959	0.4
497.30762	2.8
519.29187	4.4
519.35760	0.4
659.35858	3.5
681.34515	6.2
775.53534	1.0
937.58527	100.0
938.58905	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	949.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	55.5
69.03416	20.1
69.07050	22.3
71.04980	6.1
72.00064	1.5
73.02887	8.1
79.05476	51.4
81.02942	2.0
81.03403	24.6
81.07038	62.4
83.04956	10.4
83.08254	1.3
83.08608	16.0
85.02887	29.3
85.06516	4.3
89.65643	1.3
91.03911	12.0
91.05461	50.7
93.07025	47.2
95.04952	13.2
95.08589	37.5
95.61951	1.3
97.02876	28.0
97.06510	14.8
97.10159	10.9
98.20621	3.1
99.04440	3.3
99.08061	2.8
101.02367	3.0
103.03916	1.7
103.05457	3.4
105.07005	49.2
107.04332	1.4
107.04939	10.3
107.08572	35.4
109.02871	6.5
109.06505	8.5
109.10135	18.8
111.04456	1.8
111.08051	6.0
113.05962	1.4
115.03898	2.7
115.05444	3.9
117.07011	20.5
119.08558	32.8
121.06465	3.1
121.10122	19.2
123.04409	2.5
123.08033	6.1
123.11703	7.5
125.09604	9.7
127.03893	11.5
128.06203	3.9
129.05486	2.5
129.06970	16.0
131.03783	1.4
131.08537	27.1
133.06477	2.4
133.10097	31.2
134.10413	1.8
135.08023	6.5
135.11681	11.5
137.09608	5.1
137.13109	1.7
141.06964	5.8
142.07735	3.7
143.08528	20.5
145.04922	3.8
145.06485	2.7
145.10091	24.9
147.08017	3.4
147.11647	18.0
149.09554	8.8
149.13231	7.8
151.11165	2.2
153.07039	2.6
154.07756	2.8
155.08508	13.3
156.13780	1.8
157.10120	17.7
159.07991	1.6
159.11658	23.4
161.09592	3.2
161.13219	10.5
163.11145	4.7
163.14787	2.2
164.91568	1.5
165.07021	1.8
165.12755	2.3
166.07716	1.9
167.08563	5.8
168.09355	1.8
169.10083	16.6
171.08066	2.6
171.10237	1.8
171.11642	19.7
173.04462	7.0
173.09599	2.0
173.11786	2.7
173.13206	12.4
175.11217	3.3
175.14803	6.8
177.12663	3.5
179.08557	3.8
181.10085	10.3
182.10869	2.3
183.11633	14.9
185.09572	1.5
185.13213	11.8
187.11143	4.5
187.14795	4.9
189.11203	3.6
191.08519	1.6
191.10634	1.7
191.14194	2.1
193.10194	3.4
193.12189	1.7
194.10820	1.9
195.11700	9.0
196.12427	1.7
197.09590	2.3
197.13275	10.4
199.11162	3.9
199.14810	6.8
200.78448	1.5
201.12697	2.3
201.16385	2.3
207.11632	3.6
209.13242	7.8
211.11038	2.0
211.14751	5.5
213.16409	3.5
215.14436	1.9
215.18048	1.4
219.11694	2.7
221.13269	4.5
223.14795	5.4
225.16313	3.0
227.12717	6.6
229.14232	2.9
235.14796	2.8
237.12883	1.8
237.16241	4.0
239.17923	3.9
241.19456	6.7
245.18979	2.1
247.20462	2.0
257.19031	4.7
259.20532	10.2
261.22134	2.7
265.19403	1.7
269.17456	2.9
275.20023	15.4
276.20374	2.5
285.16846	1.6
289.21860	1.5
291.19595	4.0
293.21082	2.5
299.20251	1.8
301.21460	2.8
309.22012	2.1
313.21729	2.0
315.23239	2.4
323.23639	1.8
325.21387	1.8
331.22980	1.8
332.71939	1.5
333.24380	9.9
335.25732	6.3
347.22534	1.8
349.24234	8.6
357.24625	1.6
365.28287	3.0
367.22549	2.9
421.30685	3.4
437.30295	1.5
452.36020	1.6
473.19067	1.5
495.34845	2.5
513.35699	18.6
515.38080	5.9
527.37335	12.3
533.39990	6.9
537.35425	2.6
543.37085	2.6
545.38190	3.0
551.41071	3.7
555.36578	1.8
589.42377	1.9
597.44495	2.7
607.43408	47.4
608.43781	3.4
617.77014	1.6
625.44513	100.0
626.44843	6.8
635.39478	3.2
637.44348	2.2
649.44720	2.5
653.40692	2.7
667.44501	2.4
671.41052	4.2
689.42126	6.0
715.44849	2.4
733.46643	2.6
751.47070	5.6
769.48859	7.7
787.49652	15.9
788.49506	2.2
908.58148	1.9
931.52631	2.3
949.37109	1.6
949.54480	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	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.8
65.23590	0.8
67.05495	33.0
69.03414	4.9
69.07058	18.5
69.85509	0.8
69.85881	6.4
71.04984	5.3
72.66891	0.9
73.02898	1.6
79.05482	33.0
81.03406	43.3
81.07044	67.4
82.07359	1.0
83.04966	10.7
83.08609	24.3
85.02893	22.4
85.06511	2.5
87.04491	1.0
91.03947	4.7
91.05469	35.2
93.07031	30.8
95.04952	26.6
95.08590	22.8
97.02884	7.5
97.06516	10.4
97.10152	5.1
99.04407	1.0
99.08083	1.6
105.07013	35.3
105.07723	1.7
107.04939	9.6
107.08573	17.2
109.06499	20.8
109.10128	8.8
111.04416	2.8
111.08058	6.8
113.05967	1.8
115.05417	1.5
117.06998	6.4
119.07728	1.6
119.08564	25.5
121.06467	4.5
121.10121	15.2
123.08044	7.4
123.11676	5.3
124.18168	0.9
125.09581	3.2
127.03880	2.1
128.06221	1.6
129.06995	9.1
131.04889	0.9
131.08551	16.0
133.06474	3.3
133.10110	19.5
135.08058	4.2
135.11639	6.2
137.09598	4.7
141.06979	1.2
142.07706	2.0
143.08542	2.4
144.87392	0.9
145.04941	1.4
145.06441	1.3
145.10110	11.2
147.08063	4.2
147.11668	22.8
149.09581	9.2
149.13217	4.8
151.11131	2.6
157.10120	13.1
159.11674	5.5
161.09607	2.5
161.13216	2.1
163.11176	6.9
165.12720	5.7
169.10115	1.2
171.11679	2.3
173.09627	1.2
173.13239	2.8
175.11159	12.0
175.14764	1.1
177.12675	2.7
179.14256	1.4
183.11761	1.2
185.13290	1.4
187.14716	1.2
189.11247	1.7
191.10501	0.9
193.12215	26.6
193.13954	1.4
195.13741	1.2
197.13240	1.4
199.14738	1.3
201.12733	1.2
207.13640	1.0
211.13257	34.3
223.13272	1.3
227.12662	2.8
229.19485	2.2
239.17986	1.2
247.20624	3.1
249.14905	1.0
257.19025	5.3
267.15891	34.0
269.17426	5.9
273.18491	2.1
275.20029	46.8
283.15619	0.9
285.16919	62.6
286.17453	1.3
291.19537	3.4
293.21060	12.7
333.24271	1.2
349.23669	35.5
350.23877	1.6
365.23151	1.5
367.24741	25.4
368.24704	1.3
447.27765	1.0
449.30142	1.9
461.28714	1.5
463.30441	2.1
465.28613	1.1
467.31509	1.7
479.29633	2.8
485.32471	2.9
501.32260	1.1
519.33081	1.2
541.35187	55.6
542.35272	2.2
559.36243	100.0
560.36499	5.0
577.37286	55.8
577.44733	0.8
577.46698	1.5
578.37653	1.7
703.40063	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	933.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.0
67.05493	11.1
69.03422	8.3
69.07061	6.0
69.25097	0.3
69.45400	3.5
71.01340	1.6
71.04974	1.2
73.02908	8.7
75.04457	0.5
79.05479	8.3
81.03400	4.5
81.06543	0.4
81.07041	12.5
83.04955	1.3
83.08625	3.3
85.02893	18.4
85.06547	0.8
87.04436	0.4
91.03940	9.6
91.05461	7.7
93.07030	9.0
95.04964	2.1
95.08595	10.8
97.02878	16.2
97.06516	1.1
97.10159	2.0
98.21481	0.6
99.04440	2.1
101.02356	2.6
103.03958	0.4
105.07014	8.2
107.04951	0.7
107.08566	6.1
109.02865	1.4
109.06531	1.2
109.10146	5.1
111.08099	0.6
115.03909	1.4
115.05472	0.9
117.06994	4.6
119.08558	7.4
121.06551	0.3
121.10149	3.4
123.08054	0.4
123.11689	1.2
125.09616	0.8
127.03880	4.9
128.06198	1.6
129.05528	0.4
129.06982	6.8
130.07762	0.5
131.08553	7.0
133.10106	4.6
135.08055	0.6
135.11673	2.7
137.05983	0.3
137.09579	0.5
137.13271	0.6
141.06972	3.2
142.07764	1.5
143.08539	7.7
145.04953	2.9
145.06030	0.4
145.06468	0.4
145.10088	6.4
147.11667	3.4
149.09560	0.4
149.13202	1.0
153.06995	1.0
155.08519	6.0
156.09341	1.3
157.10103	7.6
158.10837	0.4
159.08095	0.4
159.11665	4.7
161.13287	1.3
163.05968	0.9
163.11185	0.4
165.06993	0.9
166.07808	0.6
167.08531	3.1
168.09283	1.0
169.10103	8.4
170.10799	0.7
171.11659	5.7
173.13252	3.0
175.14810	1.0
177.12790	0.4
179.08548	1.5
180.09351	0.8
181.10091	5.1
182.10829	0.4
183.11665	7.5
184.12402	0.5
185.09674	0.6
185.13211	4.0
187.11137	0.4
187.14703	1.9
189.16393	0.8
193.10103	1.6
194.10837	0.5
195.11665	4.6
197.13225	7.0
198.13731	0.4
199.13112	0.5
199.14781	2.9
201.16393	1.3
201.30476	0.4
205.10182	0.8
207.11674	2.4
208.12366	0.5
209.13228	4.5
210.13884	0.6
211.14809	3.6
213.16438	1.7
215.17957	0.6
219.11725	1.0
220.12476	0.5
221.13304	1.9
223.14783	4.0
225.16373	3.2
227.17964	1.5
231.11835	0.5
233.13229	0.6
235.14752	1.7
237.16364	2.2
239.17918	2.2
241.19582	0.9
247.14830	0.7
248.79431	0.4
249.16411	1.0
251.17987	1.3
253.19586	0.7
261.16394	0.4
263.17935	0.8
265.19519	0.9
267.21082	0.5
275.17670	0.5
277.19534	0.6
279.21085	0.9
281.22629	0.4
291.20987	0.4
293.22330	0.4
297.22052	0.4
305.22610	0.5
307.20801	0.5
307.24274	0.4
309.22040	0.6
311.23843	0.6
313.27362	1.3
321.22119	0.7
323.23566	0.7
325.25290	0.5
327.23117	0.5
335.23654	0.7
337.21448	0.5
337.25079	0.7
339.23105	0.8
339.26859	0.4
347.23730	0.5
349.25217	0.7
351.26883	0.8
363.26697	0.4
365.28491	0.5
367.26050	0.7
372.52737	0.4
379.30048	0.6
381.27853	0.8
391.30069	0.7
407.28943	0.4
447.32388	1.1
457.30325	0.6
475.34854	0.6
485.33188	0.5
499.39758	0.7
501.35678	0.9
513.35803	0.7
515.38000	0.9
517.40308	3.6
525.35596	0.5
527.37384	0.6
529.39771	0.5
535.41492	1.5
539.37311	1.6
541.39191	0.5
565.59955	0.5
573.42877	0.8
581.41528	0.5
584.33545	0.4
591.43890	4.7
607.43390	2.8
609.45032	100.0
610.45471	4.6
611.46649	0.6
621.44897	1.9
633.45007	1.3
651.46106	2.1
675.46075	0.7
699.46112	0.8
717.46936	1.2
735.48267	2.3
753.49011	3.4
771.50256	24.7
772.50433	1.2
933.55164	6.7
934.55469	0.4
955.41229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6289
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11254	1.1
67.05496	37.7
69.03419	2.5
69.07062	11.5
71.08622	17.8
71.18848	3.2
73.02908	3.4
74.67707	1.0
79.05477	17.9
80.53348	1.0
81.07046	40.3
83.08607	9.6
85.02892	14.4
85.10171	11.2
89.06024	1.4
91.03947	11.1
91.05467	7.9
93.07030	23.9
95.04944	2.5
95.08590	35.0
97.02872	7.1
97.06503	2.4
97.10150	4.2
103.07577	1.7
105.07032	6.6
107.08564	14.9
109.10152	12.8
115.03884	1.9
117.06976	2.5
119.08569	6.6
121.10129	11.6
123.11672	7.3
127.03890	3.5
131.08556	7.4
133.10135	6.7
135.11674	9.7
137.13177	2.3
145.04980	7.2
145.10130	5.1
147.11676	5.0
149.13255	5.9
159.11681	4.1
161.13234	3.9
163.05991	7.4
163.14818	3.9
165.16356	1.7
173.13281	4.6
175.14731	1.3
187.14793	2.6
239.23656	5.0
243.21144	8.7
257.24756	1.9
261.22113	39.5
313.27325	100.0
314.27634	2.6
317.24710	6.6
335.25757	75.8
573.48645	40.5
574.48785	2.0
591.49622	8.1
863.08630	1.4
895.00726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.4
67.05492	32.0
69.03416	2.1
69.07048	11.5
70.06951	2.5
70.07365	1.3
71.04974	2.9
73.02894	1.2
73.06538	0.7
77.03921	1.0
79.05478	45.8
80.05826	1.2
81.03400	5.9
81.07040	63.0
81.15092	0.7
82.07357	0.9
83.04964	8.9
83.08603	11.2
85.02868	3.6
85.06526	2.3
88.21714	0.6
90.76981	0.7
91.03925	2.4
91.05462	37.8
93.07025	37.9
95.04951	14.5
95.08582	23.8
97.02882	2.6
97.06519	5.6
97.10150	2.7
99.08089	1.5
105.07008	32.1
107.04922	7.7
107.08573	16.3
109.06497	20.3
109.07202	1.3
109.10128	6.3
111.08079	2.9
117.06991	7.4
119.08560	23.1
119.09411	1.2
121.06442	3.9
121.10122	10.4
123.08039	6.3
123.11692	3.7
125.09617	0.8
127.03848	0.8
127.07578	1.2
128.06200	1.3
129.06970	8.7
131.08569	7.6
133.06497	1.2
133.10107	13.1
135.08046	2.7
135.11665	3.8
137.09605	1.8
141.06940	0.8
143.08521	5.7
145.10091	11.3
147.08040	2.9
147.11658	26.0
149.09610	4.8
149.13190	3.5
151.11169	2.2
155.08545	1.4
157.10106	2.6
159.08015	0.9
159.11649	5.2
161.09598	2.7
161.13203	8.0
163.11142	5.9
163.14871	1.4
165.12781	2.5
169.10124	1.7
171.11653	11.1
173.09612	1.0
173.11870	0.8
173.13260	2.4
175.11145	1.6
175.14851	1.3
177.12729	1.3
179.14101	0.8
183.11726	1.6
187.11151	0.8
189.12698	4.3
191.14365	0.9
197.13303	1.2
201.12901	1.3
207.13771	8.1
225.14720	0.8
229.19565	1.6
239.18037	0.9
247.20587	2.4
257.19012	3.5
259.20538	0.9
261.31897	0.7
263.16531	1.1
265.14429	0.9
267.15939	2.2
275.20020	35.6
276.20450	1.5
280.16226	0.7
281.17429	52.2
282.17624	1.2
291.19553	0.9
293.21091	5.2
326.47519	0.7
349.23672	18.9
367.24707	11.5
391.24713	0.9
429.29987	2.7
537.35583	2.6
555.36725	100.0
556.36932	7.1
573.37762	65.3
574.37561	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	932.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.9
67.05493	78.0
69.03426	7.1
69.07054	26.7
70.26447	1.8
70.26858	3.7
71.04976	6.0
73.02906	2.4
73.06531	2.0
73.10981	1.0
75.07383	0.9
79.05479	96.2
81.03403	18.9
81.07042	75.9
82.07373	1.8
83.04962	17.7
83.08598	14.6
85.02888	8.4
85.06532	3.8
91.03933	3.5
91.05465	74.2
92.05791	1.5
93.07026	88.5
94.07372	1.3
95.04951	25.6
95.08586	40.1
97.02869	5.8
97.05934	0.8
97.06504	18.9
97.10147	12.7
99.04422	1.9
99.08058	3.1
103.05446	3.3
105.04485	1.6
105.07011	64.9
107.04932	13.0
107.08578	44.8
109.02847	1.8
109.06499	10.7
109.10133	14.7
111.04476	1.9
111.08070	3.0
113.09620	1.1
115.05466	1.6
117.06998	19.7
119.08559	43.9
119.09410	2.2
120.08951	1.4
121.06468	6.1
121.10116	17.4
123.08011	5.9
123.11682	3.5
125.09603	8.8
127.03893	4.0
127.07515	1.3
128.06204	3.4
129.06981	19.7
130.07761	2.0
131.08540	14.3
133.06493	2.8
133.10104	23.5
135.08017	6.0
135.11670	14.3
137.09564	2.5
139.07437	1.7
139.11186	1.1
141.06985	3.4
141.09044	1.0
142.07695	1.1
143.08534	12.9
145.04912	1.6
145.06454	1.7
145.10114	22.8
147.08043	4.6
147.11659	41.7
149.09586	12.6
149.13264	5.7
151.11143	3.1
155.08510	2.8
157.10100	3.6
159.08012	1.1
159.11679	12.7
159.99544	1.1
161.09586	5.6
161.13232	13.6
163.11153	8.7
165.09074	1.3
169.10126	3.2
171.10271	1.6
171.11664	26.7
173.04492	2.9
173.13164	5.1
177.12799	3.2
179.14299	2.6
181.10144	1.3
183.11664	1.5
185.13232	2.1
189.11163	3.6
189.12732	9.7
192.66791	1.2
195.13724	1.9
197.13235	1.7
201.12782	1.3
207.13774	25.0
215.14372	1.4
215.17833	1.4
225.14864	2.1
227.12726	16.4
228.13271	1.2
229.14252	1.9
229.19466	2.8
235.14893	1.1
238.43370	1.0
239.17978	4.0
247.20679	1.3
253.14261	1.9
255.15912	3.8
257.19031	12.2
263.16489	1.3
267.15652	1.1
269.17465	11.0
273.18060	1.1
275.20020	43.5
276.20346	1.3
279.15924	1.8
281.17422	91.7
282.17761	1.6
283.15244	2.3
293.21198	4.4
313.27347	1.5
331.22647	3.6
335.25711	2.0
349.23651	26.1
350.24045	1.6
367.24896	1.4
377.23303	2.3
413.21423	1.3
435.27316	8.0
451.26886	8.6
457.29147	1.6
459.30734	3.7
461.28922	21.9
462.29208	1.2
463.31769	1.5
475.30508	100.0
476.30963	4.9
493.28275	1.4
515.33386	2.3
537.35956	5.0
555.36731	92.3
556.37146	6.3
573.38232	12.6
574.37811	1.3
595.30756	2.6
619.34485	5.2
699.39252	1.4
717.41205	2.1
752.47992	1.5
862.67706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.0
67.05492	46.9
68.05813	0.6
69.03411	2.2
69.07053	8.4
69.89146	0.3
71.04980	14.1
73.02911	2.8
73.06541	0.6
79.05477	25.8
81.03412	1.6
81.07040	69.3
82.07392	0.8
83.04963	3.5
83.08606	6.5
85.02888	7.6
85.06524	6.5
87.04463	0.5
91.03938	4.8
91.05026	0.3
91.05462	20.0
93.07024	30.6
94.07365	0.4
95.04944	3.4
95.08585	20.7
97.02880	4.7
97.06516	3.9
97.10145	1.7
98.20727	0.7
99.04442	1.0
99.08058	0.8
105.04490	0.4
105.07012	12.2
107.04976	0.4
107.08572	16.8
109.02863	0.6
109.06490	1.7
109.10132	11.4
111.04420	0.5
111.07293	0.3
111.08034	1.5
113.09701	0.3
115.03923	0.5
116.81992	0.4
117.06979	4.3
117.87698	0.3
119.08554	7.2
121.10123	12.3
123.08078	0.6
123.11686	12.0
125.09569	0.7
126.39932	0.3
127.03875	2.0
127.07550	0.4
127.90646	0.3
129.05458	0.4
129.06970	0.5
131.08539	7.0
133.10100	14.0
135.08072	0.8
135.11670	9.2
137.09660	0.5
137.13235	0.5
139.11125	0.7
143.08521	0.9
145.04900	2.0
145.10095	4.0
147.11647	3.3
149.09647	0.6
149.13225	5.3
149.79111	0.3
151.11154	5.0
153.12721	0.5
157.10081	0.5
159.11661	4.9
161.13277	2.3
163.05920	1.6
163.14842	1.1
165.12639	0.4
169.12253	0.6
171.11674	0.6
173.04506	0.7
173.13203	2.8
175.14812	1.3
177.12697	1.8
179.23689	0.3
180.69580	0.3
183.13704	1.6
185.13286	0.6
187.13292	3.3
187.14822	1.3
195.13823	1.1
201.14862	0.5
227.16409	1.0
229.42516	0.3
243.15988	1.0
243.21094	0.9
253.17953	0.4
257.17496	1.1
259.20728	0.6
261.22067	2.3
269.17398	5.6
291.23187	0.4
301.20032	11.2
301.23438	0.7
312.86426	0.3
317.24646	0.8
335.25732	21.5
336.26111	1.0
358.92081	0.3
393.31287	0.6
411.32489	0.7
419.33276	0.4
429.33771	0.6
437.34204	0.6
445.24310	0.7
455.35196	0.4
485.35815	1.9
503.37213	69.8
504.37579	3.8
511.37582	1.0
517.38776	3.4
529.38806	14.0
530.39221	0.6
547.39990	0.8
561.41388	100.0
562.41742	6.8
673.42834	0.6
705.45599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.5
67.05491	64.9
69.03423	4.3
69.07054	12.4
69.91307	3.7
71.04978	23.3
73.02903	2.8
79.05475	34.1
81.03413	1.9
81.07039	93.5
82.07375	1.0
83.04981	4.3
83.08599	8.5
85.02888	10.7
85.06507	8.1
85.94393	0.7
91.03930	6.4
91.05460	29.4
93.07023	40.9
95.04964	4.6
95.08582	27.7
97.02864	6.7
97.06510	5.2
97.10145	2.4
98.20682	0.9
99.04417	1.1
99.08067	1.7
105.07010	17.4
107.08568	23.5
109.06509	2.6
109.10136	13.2
111.08079	2.7
113.05949	0.7
117.06970	7.0
119.08556	9.4
121.10114	16.5
123.08055	1.3
123.11680	13.8
127.03894	3.1
129.07004	1.0
131.08525	8.4
133.10101	20.2
135.11667	12.4
135.12642	1.1
137.13293	0.7
139.11229	1.1
143.08524	1.3
145.04942	3.2
145.10141	6.0
147.11642	5.3
149.13235	8.4
151.11156	6.3
157.10085	1.9
159.11659	8.0
161.13225	3.8
163.06009	1.9
171.11694	2.1
173.13235	3.1
175.14825	1.6
177.12741	2.3
179.14288	1.0
183.11700	0.9
183.13776	2.7
185.13252	1.5
187.13281	5.1
187.14836	1.9
195.13802	2.8
201.14729	1.1
213.14792	0.8
225.14789	0.8
227.16255	3.4
241.17685	0.9
243.21040	0.8
253.17873	1.1
253.78395	0.7
257.17499	2.3
261.22119	3.0
269.17355	6.2
275.77747	0.7
301.20068	22.1
317.24509	1.1
335.25735	18.2
335.29782	1.3
343.26303	1.0
391.88550	0.9
411.32474	2.7
437.34097	2.3
441.33722	0.8
485.36127	5.0
503.37216	86.9
504.37531	2.8
511.38007	2.2
517.38989	3.5
529.38739	29.7
547.39893	1.4
561.41394	100.0
562.41791	3.9
705.45142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
66.76112	0.9
67.05495	41.8
68.72385	1.0
69.03405	1.6
69.04619	1.0
69.07054	13.1
71.04971	3.3
71.70766	1.7
72.63085	0.9
73.02903	2.1
79.05482	39.1
81.03409	5.0
81.07046	44.8
83.04975	4.1
83.08613	8.4
85.02883	4.5
85.06547	2.1
89.85005	0.9
91.03982	1.1
91.05460	18.9
91.05969	1.9
93.07031	52.0
95.04954	8.2
95.08591	45.8
97.02874	4.0
97.06526	5.0
97.10132	3.0
99.04457	3.5
103.05462	1.6
105.07026	14.6
106.07333	0.9
107.04938	8.3
107.08577	30.0
109.06492	4.5
109.10130	13.1
111.04412	1.4
111.08050	2.5
113.09615	1.1
113.26626	1.0
117.07008	9.7
117.49105	1.0
119.08569	15.3
121.06475	4.3
121.10130	15.9
123.08067	1.5
123.11691	3.1
125.05981	2.6
127.03959	1.1
130.07700	1.0
131.08553	5.4
133.10095	8.7
134.63199	0.9
135.08023	2.5
135.11673	41.9
136.11960	1.0
137.09535	1.5
143.08583	1.7
145.10106	24.0
147.07990	1.5
147.11664	3.6
149.09628	1.9
149.13246	2.9
153.12819	1.1
155.08530	1.1
159.11638	4.0
161.13266	2.4
163.11160	42.7
163.14780	1.7
173.13258	1.3
181.12169	6.7
187.14745	1.2
227.12752	47.8
229.14325	2.7
243.21025	2.3
261.22177	6.6
275.20084	5.3
283.15369	54.2
284.15744	1.3
317.24533	1.7
335.25754	100.0
336.26126	2.5
349.23572	3.5
427.19489	1.1
503.33313	1.3
529.38226	1.5
543.36761	94.0
544.37183	3.4
575.39624	5.3
879.44165	1.1
901.25714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
66.76112	0.9
67.05495	41.8
68.72385	1.0
69.03405	1.6
69.04619	1.0
69.07054	13.1
71.04971	3.3
71.70766	1.7
72.63085	0.9
73.02903	2.1
79.05482	39.1
81.03409	5.0
81.07046	44.8
83.04975	4.1
83.08613	8.4
85.02883	4.5
85.06547	2.1
89.85005	0.9
91.03982	1.1
91.05460	18.9
91.05969	1.9
93.07031	52.0
95.04954	8.2
95.08591	45.8
97.02874	4.0
97.06526	5.0
97.10132	3.0
99.04457	3.5
103.05462	1.6
105.07026	14.6
106.07333	0.9
107.04938	8.3
107.08577	30.0
109.06492	4.5
109.10130	13.1
111.04412	1.4
111.08050	2.5
113.09615	1.1
113.26626	1.0
117.07008	9.7
117.49105	1.0
119.08569	15.3
121.06475	4.3
121.10130	15.9
123.08067	1.5
123.11691	3.1
125.05981	2.6
127.03959	1.1
130.07700	1.0
131.08553	5.4
133.10095	8.7
134.63199	0.9
135.08023	2.5
135.11673	41.9
136.11960	1.0
137.09535	1.5
143.08583	1.7
145.10106	24.0
147.07990	1.5
147.11664	3.6
149.09628	1.9
149.13246	2.9
153.12819	1.1
155.08530	1.1
159.11638	4.0
161.13266	2.4
163.11160	42.7
163.14780	1.7
173.13258	1.3
181.12169	6.7
187.14745	1.2
227.12752	47.8
229.14325	2.7
243.21025	2.3
261.22177	6.6
275.20084	5.3
283.15369	54.2
284.15744	1.3
317.24533	1.7
335.25754	100.0
336.26126	2.5
349.23572	3.5
427.19489	1.1
503.33313	1.3
529.38226	1.5
543.36761	94.0
544.37183	3.4
575.39624	5.3
879.44165	1.1
901.25714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	2.1
67.05491	34.2
69.03408	1.2
69.07055	7.7
71.04963	1.9
71.71036	0.6
71.71547	1.0
72.92121	0.5
73.02856	0.5
79.05478	39.7
81.03391	3.1
81.07041	31.0
83.04960	6.0
83.08607	4.9
85.02887	3.3
85.06521	1.7
91.03916	1.9
91.05461	26.8
93.01946	0.6
93.07027	38.9
95.04945	9.2
95.08586	24.2
97.02853	1.5
97.06494	2.5
97.10140	2.8
99.08089	0.8
105.04493	1.3
105.07013	18.6
107.04955	2.5
107.07836	0.8
107.08572	15.7
109.06505	3.4
109.10124	8.0
111.08018	0.9
117.06990	5.5
119.08559	14.3
121.06464	1.7
121.10117	8.9
123.08075	1.8
123.11684	2.1
128.06180	1.0
129.06990	7.5
131.08559	4.5
133.10112	7.0
135.08009	0.8
135.11664	5.4
137.13240	0.9
143.08522	3.9
145.10072	6.2
147.11661	15.3
149.13243	2.2
154.98459	0.5
159.11650	2.6
161.09615	1.8
161.13220	6.2
163.06061	0.9
163.14796	0.9
171.11653	10.1
173.13240	1.5
177.12688	0.6
177.16374	0.7
179.14310	0.9
187.14836	0.8
189.12717	3.1
207.13750	8.7
243.21141	0.8
259.20615	0.6
261.22162	4.6
278.08737	0.7
279.15833	2.2
281.17422	30.7
289.44373	0.7
313.27695	0.8
317.24817	1.2
335.25742	37.1
336.26086	0.7
467.35532	0.9
523.38678	0.7
541.38806	100.0
542.39307	4.2
559.39923	2.4
777.93115	0.7
836.60510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23940	0.2
65.03932	0.7
67.05494	26.2
69.03403	0.4
69.07057	14.9
70.07374	0.2
71.04966	0.7
71.08614	0.8
71.69909	0.2
74.09699	0.2
79.05025	0.4
79.05480	7.4
81.07043	27.2
82.07372	0.3
83.04969	0.9
83.08604	8.0
85.06518	0.7
85.10172	0.4
91.04913	0.4
91.05460	5.4
93.07028	8.1
95.04939	0.7
95.08589	21.6
96.08904	0.3
97.06522	1.7
97.10157	3.5
99.08086	0.5
105.04459	0.2
105.07008	3.9
107.08578	4.5
109.06503	0.5
109.10139	8.2
111.08076	1.0
111.11713	0.9
112.99998	30.4
113.09660	0.3
116.47770	0.2
117.07000	0.4
119.08562	3.3
121.10129	3.4
123.08045	0.5
123.11683	3.1
125.09596	0.5
125.90107	0.2
131.01025	0.3
133.10117	3.4
135.11664	1.9
137.09610	0.5
137.13254	1.2
139.11147	0.3
145.10080	0.4
147.11644	2.1
149.13252	1.2
151.11174	0.3
151.14737	0.4
153.12729	0.4
154.02657	0.3
159.11630	0.2
161.13240	1.6
163.14833	0.8
169.02588	22.6
170.02948	0.3
175.14763	0.9
177.16229	0.2
180.89342	0.2
187.03598	2.1
189.16278	0.3
203.18053	0.2
242.19554	0.2
245.22597	2.1
263.23694	4.1
297.39117	0.2
336.33701	0.2
337.27310	100.0
338.27634	3.3
357.86676	0.2
431.25494	0.5
451.55106	0.3
798.02893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	5.1
67.05497	100.0
69.03415	5.5
69.07063	22.2
70.06559	4.5
71.04959	7.9
71.70663	3.7
79.05483	42.8
81.03387	7.9
81.07048	76.3
82.07365	3.1
83.04956	9.2
83.08617	20.3
85.06537	7.7
86.09666	2.5
86.58397	2.4
91.05466	37.1
92.05777	2.5
93.07030	44.2
95.04939	9.2
95.08598	28.5
97.02871	2.8
97.06509	13.6
97.10168	13.0
97.10722	2.3
105.07027	28.5
107.04929	10.1
107.07833	2.9
107.08580	38.4
109.02871	3.8
109.06516	13.6
109.10140	77.7
111.08044	5.1
115.05456	2.9
117.06997	13.4
119.08562	27.6
121.06473	3.5
121.10129	16.3
123.08064	4.3
123.11663	7.2
125.09561	5.8
126.71863	2.3
129.07005	5.7
131.08545	18.6
133.06514	3.1
133.10118	23.0
135.08034	5.4
135.11649	10.1
137.09587	7.0
141.06990	2.7
143.08501	4.6
145.10156	15.1
147.11659	12.6
149.09590	9.5
149.13234	8.3
155.08453	3.3
155.10614	4.0
156.87914	2.3
157.10129	4.7
159.11674	8.9
161.13216	2.8
163.11174	5.6
167.06973	2.6
167.67949	2.2
169.10057	3.7
171.11737	3.8
173.11707	18.8
173.13240	6.8
177.12703	4.9
178.08669	2.8
187.14969	2.1
195.13762	3.7
215.03194	2.4
227.12640	13.7
229.14330	51.5
247.20619	2.7
257.18912	9.5
269.17502	18.8
275.20029	40.3
288.63589	2.4
291.19635	3.6
293.20959	2.6
294.24265	2.7
300.12247	2.2
331.22644	2.6
349.23718	36.0
352.29666	2.5
367.24719	12.9
383.24231	24.6
423.27383	37.9
463.30359	9.8
503.33627	44.6
521.34369	13.5
527.28418	4.9
543.36676	32.6
561.37860	13.7
567.30835	7.8
623.42841	7.8
641.43921	13.4
659.43988	3.3
668.39783	3.2
730.38177	3.4
892.50726	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	890.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	4.4
66.27252	1.4
67.05495	82.4
69.03410	6.4
69.07055	26.7
69.47133	5.2
69.47562	11.5
69.91267	1.6
71.04977	6.6
74.12928	1.5
79.05019	3.3
79.05479	57.8
81.03400	11.7
81.07042	100.0
83.04967	13.1
83.08602	22.0
85.02881	5.1
85.06526	5.5
91.05470	44.8
93.06430	2.4
93.07030	47.3
95.04954	21.3
95.08585	31.1
97.02878	3.7
97.06499	16.4
97.10150	23.2
99.04459	4.0
99.08079	3.5
105.07016	32.8
107.04929	15.8
107.08576	35.7
109.06516	17.0
109.10135	42.2
111.04446	11.6
111.08061	8.7
113.06015	2.6
117.06976	17.7
119.08556	33.4
121.06482	11.4
121.10119	22.9
123.08049	18.6
123.11692	3.9
125.06049	1.9
125.09608	25.2
127.07538	2.2
129.06998	11.8
131.08557	17.9
133.06454	4.6
133.10091	20.6
135.08043	10.6
135.11662	12.0
137.09602	9.6
139.11206	2.0
140.63264	1.6
143.08557	7.4
145.06468	3.1
145.10092	18.3
147.08031	9.3
147.11681	12.1
149.09584	14.7
149.13277	5.8
151.11118	2.1
153.09134	3.6
153.12691	4.9
155.08524	2.9
157.06604	1.7
157.10104	8.6
159.08037	3.7
159.11674	12.6
161.09566	9.3
161.13280	3.8
163.11140	20.2
165.09111	5.3
169.10104	3.9
171.10385	1.7
171.11649	7.6
173.09596	4.3
173.11729	5.8
173.13249	3.9
175.11194	6.4
177.12741	6.5
181.12161	8.6
183.11691	2.6
185.13242	2.6
187.11169	3.0
189.11201	14.9
189.12714	2.5
191.10692	6.1
193.12247	2.5
195.11618	2.6
195.13638	2.3
209.63254	1.6
223.13237	3.1
227.12714	27.4
227.14774	2.1
227.17828	1.9
229.14279	25.8
239.17894	2.3
245.18971	3.4
249.14714	2.6
252.99954	1.7
255.17505	3.8
257.18961	5.8
267.16068	2.3
269.17444	19.1
273.18448	31.0
275.19992	31.4
283.15411	4.5
291.19492	59.2
293.21054	5.3
309.20493	6.5
347.22153	10.6
349.23682	20.3
365.23184	36.5
367.24698	10.7
383.24243	14.6
399.24274	1.7
449.29385	1.6
461.28711	1.7
475.30258	1.9
501.31873	5.2
503.34521	1.9
519.33112	39.0
520.33362	2.4
537.34149	18.0
541.35468	8.4
559.36224	29.7
560.36011	2.0
577.37268	13.9
621.41351	5.9
639.42542	27.4
657.43427	20.5
675.44501	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	888.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85840	0.6
63.87669	0.7
65.03901	1.6
67.05490	39.9
69.03410	1.6
69.07059	12.3
69.35018	3.7
69.35445	4.1
71.04974	1.9
71.67471	0.6
73.02903	2.0
79.05481	25.4
81.03391	1.4
81.07040	43.8
82.07377	0.8
82.18037	0.7
83.04963	2.6
83.08604	7.4
85.02892	5.3
85.06526	2.1
91.03930	3.4
91.05457	15.7
93.07024	37.1
94.07313	0.7
95.04953	3.6
95.08586	22.0
97.02861	2.9
97.06524	5.0
97.10148	1.9
99.08067	1.6
105.07004	7.3
107.08574	21.8
109.06494	1.1
109.10133	7.7
111.08045	3.2
116.09438	0.7
117.06986	4.8
119.08562	5.6
121.10120	15.3
123.08042	1.1
123.11671	3.9
125.05972	0.7
127.03919	1.3
129.07043	0.8
131.08534	8.0
133.10097	7.0
135.08096	0.7
135.11664	8.2
145.04977	0.9
145.10109	2.9
147.11671	3.9
149.13243	12.2
151.11119	0.9
154.15257	0.8
157.10120	0.8
159.11656	7.0
161.13197	1.8
163.05984	1.8
164.84708	0.7
165.12695	1.1
173.13286	2.5
177.12703	2.2
185.13162	0.7
187.14854	1.4
195.13747	3.9
243.21075	2.1
259.20639	0.7
261.22079	7.5
267.15939	1.6
269.17429	42.7
276.20425	0.7
277.21475	0.8
281.14322	0.7
317.24765	2.6
335.25729	43.9
336.26184	1.2
355.19940	0.6
437.33954	1.3
529.38794	100.0
530.39038	4.5
547.40021	1.6
659.11951	0.8
752.79895	0.8
888.49701	2.0
889.46313	0.8
891.83240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.8
67.05492	74.2
69.03413	15.0
69.07056	47.7
70.25079	6.4
71.04985	22.1
73.02905	3.6
77.03876	1.6
79.05479	75.2
81.03401	25.1
81.07040	100.0
82.78063	1.2
83.04967	20.8
83.08602	22.9
85.02888	12.9
85.06523	6.1
91.05461	60.3
93.07028	62.4
95.01328	1.4
95.04951	28.8
95.08588	36.4
95.12572	1.2
97.02868	8.2
97.06512	70.4
97.10153	23.2
97.10724	2.2
99.04434	5.2
99.08071	9.6
103.03955	1.4
103.05450	3.0
105.04574	2.3
105.07010	46.7
106.07307	1.8
107.04937	19.9
107.08572	39.0
109.02873	3.7
109.05828	2.5
109.06503	28.3
109.10136	18.7
111.04426	12.3
111.08063	12.3
113.05992	3.4
113.09607	1.3
115.05437	3.9
115.07552	18.0
116.06244	2.9
117.07000	25.4
119.04943	3.1
119.08554	38.6
121.06490	12.8
121.10132	20.4
123.04401	2.6
123.08037	23.3
123.11684	5.0
125.05936	2.6
125.09612	22.1
127.03909	4.7
127.07558	4.1
128.06235	3.8
129.05495	2.4
129.06972	17.4
130.07701	2.1
131.08539	33.5
133.06436	7.8
133.10104	28.6
135.08049	17.0
135.11665	13.5
137.06004	1.8
137.09598	6.7
139.07512	2.3
139.11148	2.3
141.06993	3.6
142.07747	3.5
143.08533	15.2
145.06462	4.5
145.10104	24.6
147.08014	15.2
147.11668	12.2
149.05943	1.4
149.09595	11.5
149.13222	9.4
149.56952	1.5
151.11174	6.6
153.07109	1.7
153.09116	5.9
153.12735	4.4
155.08569	4.9
157.06432	1.7
157.10120	11.6
159.08008	5.5
159.11664	16.0
161.09602	15.7
161.13205	3.7
163.07559	2.0
163.11147	19.0
165.09079	6.6
165.12740	3.3
167.08528	1.7
169.10103	4.9
171.10275	2.2
171.11641	9.7
173.04420	3.8
173.09607	9.0
173.13268	4.1
175.11183	7.8
177.09207	1.8
177.12712	6.7
181.10034	2.5
181.12282	6.4
183.11737	4.0
185.09581	2.3
185.13245	6.1
187.11153	3.6
187.14757	1.4
189.11195	21.1
189.12733	2.9
191.10600	7.3
191.14243	1.3
193.12238	4.4
195.11667	4.0
195.13783	5.8
197.13251	2.4
199.11180	2.7
199.14806	3.6
201.07561	2.4
201.12584	2.9
201.74060	1.2
203.14276	2.1
205.12163	1.7
209.13239	2.6
211.11154	1.7
213.12700	1.4
215.14302	2.9
217.15872	10.1
219.13806	1.5
223.11311	2.0
223.13161	6.6
224.49173	1.3
227.12752	23.2
227.17973	5.8
231.13799	2.0
233.15337	3.2
235.16870	1.7
237.16354	3.4
237.18492	1.6
245.13745	2.6
245.19032	7.1
249.14967	2.0
253.14261	4.4
255.17659	7.8
257.18967	2.0
261.18475	1.6
263.20035	4.8
267.15747	2.5
269.17404	24.2
271.16965	2.0
273.18433	74.0
274.18759	2.3
275.20084	6.5
279.15875	1.6
283.15445	3.5
289.17889	5.5
291.19495	80.7
292.19858	2.8
303.19717	2.0
307.19031	3.0
309.20639	5.5
329.21179	4.0
343.78622	1.3
347.22067	26.3
347.25906	2.3
349.23685	3.5
355.03143	1.6
363.21494	1.5
365.23157	45.0
366.23367	1.8
383.24298	17.2
439.26575	2.3
449.29913	1.8
467.31467	1.8
485.32684	1.5
517.31403	2.2
527.34009	1.5
541.35333	6.0
545.35046	3.5
557.34491	2.4
559.36200	13.5
577.37506	6.8
581.37939	1.9
587.35840	1.6
597.37531	2.2
619.39502	1.9
637.40979	9.2
655.41803	13.2
672.05798	1.8
673.42700	5.9
691.43707	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	888.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	2.8
65.55887	0.6
67.05490	45.4
69.03425	5.5
69.06693	1.4
69.07051	22.9
71.01323	0.9
71.04967	5.3
71.70705	1.0
73.02877	0.8
73.06514	1.0
77.03872	1.0
79.05475	47.4
80.05765	1.2
81.03405	14.7
81.07037	83.6
82.07361	0.9
83.04504	0.9
83.04965	13.9
83.08599	20.1
85.02869	4.6
85.06509	3.1
91.05457	37.0
93.07021	39.9
94.04155	0.9
94.07363	0.8
95.01306	1.1
95.04945	21.7
95.08584	19.7
97.02859	2.5
97.06506	13.9
97.10147	27.7
99.04426	2.3
99.08050	3.0
103.05445	1.1
105.03352	1.6
105.04523	1.0
105.07005	27.7
105.07713	1.4
107.04929	16.1
107.08569	28.5
109.02859	1.3
109.05728	1.0
109.06487	16.7
109.10133	14.8
111.04414	12.5
111.08059	9.2
111.57523	0.7
113.05954	1.4
115.05400	2.6
115.07533	1.5
117.06988	16.1
119.04866	1.6
119.08555	31.5
121.06481	11.0
121.10114	17.2
123.04415	2.2
123.08044	26.8
123.11655	2.6
125.05939	1.6
125.09606	21.7
128.06186	2.2
129.05437	0.9
129.06978	9.0
130.07713	1.9
131.04886	0.9
131.08530	18.5
133.06490	5.3
133.10098	14.7
134.10387	0.9
135.08031	11.4
135.11658	13.3
136.08313	0.8
137.09581	7.0
139.07520	0.8
139.11130	2.1
141.06946	3.0
141.09018	0.8
142.07700	2.1
143.08546	9.8
143.10677	1.1
144.09241	0.8
145.06433	4.1
145.10085	19.3
146.10417	0.7
147.08003	14.3
147.11647	9.4
149.05962	0.7
149.09581	10.2
149.13246	3.7
151.11127	1.9
151.29025	0.7
153.09059	5.2
153.12697	6.7
155.08539	3.4
157.10065	9.8
159.08014	4.7
159.11636	8.3
161.09596	14.8
161.13257	1.9
163.07498	1.0
163.11134	21.1
165.09076	6.3
165.12717	1.6
167.08443	1.4
169.10049	2.9
171.08006	1.2
171.10150	1.7
171.11649	4.2
173.09560	6.4
173.11693	1.9
173.13213	2.3
175.11159	6.8
175.14743	1.5
177.09074	1.5
177.12675	3.3
181.10062	1.9
181.12170	8.6
183.10191	1.1
183.11668	2.5
185.09583	1.9
185.13225	3.2
187.11102	3.4
187.14812	0.9
189.09352	0.7
189.11189	22.6
189.12714	2.0
191.10654	8.3
193.12241	5.3
195.11679	2.3
195.13739	1.6
197.13219	1.1
199.11147	2.3
199.14799	1.2
201.12711	1.3
203.10649	2.0
205.12187	1.9
207.13644	1.0
209.11691	1.4
211.13091	1.0
211.14825	1.0
213.12679	1.9
213.16335	1.0
217.15854	0.8
219.13730	1.3
221.11598	1.0
221.15263	1.1
223.13251	6.5
227.12726	23.5
227.17899	3.1
229.14133	1.1
231.17424	1.4
233.15263	1.2
236.12019	0.8
237.16273	2.2
245.13786	2.4
245.18910	6.1
247.20351	0.9
249.14751	1.9
253.14297	1.2
255.17459	6.5
263.19992	2.4
266.41382	0.7
267.15729	1.6
269.17410	3.1
271.16870	1.9
273.18427	57.8
274.18774	1.8
275.19968	3.7
283.15344	4.2
289.18118	3.2
291.19479	100.0
292.19864	3.2
297.16809	1.3
307.18842	1.5
309.20544	10.6
329.21030	2.2
337.23944	1.0
347.22058	22.2
348.22525	1.4
349.23599	2.2
363.21527	2.0
365.23145	60.8
366.23587	1.8
367.24661	1.1
381.23215	1.0
383.24231	31.5
384.24478	1.0
411.29520	0.9
487.31241	0.9
503.35291	0.7
513.31543	0.8
517.31421	1.9
527.33856	0.8
529.34790	1.1
535.32507	4.9
539.33435	1.0
541.35120	1.3
545.35474	2.3
553.33667	0.9
557.34729	2.3
559.36371	1.5
563.37213	2.6
573.33966	1.3
575.35559	1.2
581.37671	2.3
599.39136	1.4
619.39264	2.4
627.42078	1.4
637.40839	17.5
638.40741	1.5
655.41833	30.1
656.42151	2.6
673.42999	19.4
674.42657	1.9
691.43616	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	886.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75418	2.2
65.03934	4.3
67.05495	51.7
69.03412	7.9
69.07059	28.8
70.87779	6.3
71.04989	21.0
71.08633	2.0
79.05481	57.1
79.79717	2.1
81.03411	12.3
81.07043	100.0
81.66521	2.0
83.04955	11.8
83.08603	20.2
85.02881	4.6
85.06513	3.5
86.98141	2.3
91.05466	46.2
93.07029	52.4
94.07327	2.2
95.04943	21.8
95.08591	36.0
97.02872	5.0
97.06516	17.3
97.10145	11.8
99.08057	5.0
103.05493	2.3
105.07020	45.2
107.04935	14.3
107.08583	33.3
109.06496	24.0
109.10156	20.4
111.04423	8.2
111.08063	9.7
115.05339	2.4
115.07533	2.2
117.07014	17.2
119.04868	2.0
119.08556	35.8
121.06477	7.8
121.10143	18.2
123.08038	12.7
123.11702	7.2
125.09615	14.3
129.06981	8.8
131.08548	17.9
133.06482	3.0
133.10094	26.0
135.08041	12.5
135.11676	10.7
137.09579	6.1
143.08522	8.4
145.10080	19.1
147.08035	9.4
147.11659	12.6
149.09601	11.5
149.13216	7.3
151.11176	9.2
155.08549	5.0
157.10107	9.3
159.07990	2.6
159.11642	11.1
161.09589	8.1
161.13252	4.7
163.11148	14.3
165.09137	2.5
165.12665	3.2
169.10208	3.6
169.12131	2.1
171.11700	8.1
173.09596	4.1
173.13174	3.8
175.11179	5.7
177.12753	3.9
181.12117	2.8
185.13307	3.6
185.56984	2.1
189.11197	7.4
189.12720	2.6
191.10735	2.5
193.12216	4.2
197.13156	2.7
223.13200	2.6
227.12752	12.2
229.19508	2.5
245.19051	2.6
247.20564	2.5
253.14349	8.5
257.18948	4.9
267.15677	4.2
269.17413	5.8
273.18420	22.5
275.20029	48.9
276.20459	3.1
289.17831	2.6
291.19513	29.3
293.21048	3.2
307.22678	6.4
309.20541	4.6
347.22198	10.9
349.23694	28.4
365.23181	22.1
367.24530	3.0
381.26270	22.2
383.24118	8.2
529.35266	3.0
543.36725	4.1
575.39380	3.2
581.36438	2.5
621.40991	7.3
632.68176	2.3
639.42224	24.2
640.43188	2.8
657.43066	7.5
671.45331	15.1
689.46008	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	879.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51719	0.5
65.83524	0.5
70.38493	1.7
70.38908	1.1
96.92792	0.5
98.98466	0.6
119.31081	0.5
128.01443	0.5
131.01897	1.7
131.51923	1.1
132.01817	1.4
135.96753	0.6
137.01863	1.8
137.51875	0.8
138.01785	0.6
138.96436	0.9
143.01886	1.2
143.51874	1.0
144.01822	1.4
145.30121	0.6
150.01765	0.6
152.02449	0.7
152.52524	0.6
170.95374	1.5
173.02931	1.5
173.53047	1.8
174.02917	1.2
174.97624	1.9
179.02914	0.7
180.97441	1.9
192.98714	1.7
194.95355	4.3
200.99156	1.6
202.89049	1.3
203.03998	1.5
203.54106	1.4
204.03989	0.7
210.98502	0.8
212.96408	9.5
213.96535	0.5
219.00192	1.2
222.98589	0.9
228.98680	1.8
230.97470	2.2
231.00119	1.4
236.96346	2.4
244.98100	0.7
252.99518	1.5
253.99275	1.2
254.97490	100.0
255.97601	3.7
266.97476	26.3
267.97681	1.4
272.97693	1.8
273.03204	0.6
278.97446	1.8
283.00629	2.8
284.56738	0.6
284.98544	12.8
285.06537	1.1
286.99185	0.7
290.04239	1.0
290.98734	6.9
296.98575	2.0
302.98697	1.4
306.36832	0.6
306.90173	0.8
308.98892	1.2
314.00742	0.6
314.99548	38.0
315.99634	0.9
326.99146	1.0
332.99911	0.8
338.99506	1.1
344.99704	0.9
357.00626	15.2
358.01038	0.7
365.09317	3.2
365.59177	2.7
366.09238	1.8
375.01666	34.1
376.02060	1.2
393.01559	2.9
403.04828	1.5
417.02261	4.3
429.01935	1.7
447.03851	2.5
477.04849	1.3
507.10477	0.7
523.08337	0.9
537.06940	28.8
538.07062	2.1
555.06592	5.2
721.63940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.1
67.38820	0.7
69.07051	1.7
71.08615	1.5
71.45926	0.8
79.05482	1.4
81.07051	2.8
83.08601	1.8
85.10188	1.1
91.05486	1.7
93.07017	1.0
95.04969	0.8
95.08598	1.9
98.20641	1.4
101.75233	0.6
104.85864	0.7
112.99989	5.3
119.08556	0.7
122.48808	0.7
135.11766	0.9
169.02571	4.5
169.10760	0.8
313.27371	5.0
339.28857	7.5
407.25211	1.0
499.71475	0.8
520.80042	0.7
551.27008	0.8
580.80426	0.7
605.33551	0.8
789.44617	1.0
875.49036	100.0
876.49249	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	877.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98508	0.8
65.86205	0.8
67.05499	1.1
68.85276	0.7
70.06593	1.9
70.30643	3.2
73.02035	0.7
86.09702	1.4
89.36895	0.8
91.05549	0.9
91.68937	0.8
105.07023	0.9
107.32787	0.8
108.48770	1.0
133.25282	0.8
150.39561	0.9
191.78796	0.9
298.12164	0.8
335.81628	0.9
349.16861	1.1
567.25305	2.9
585.25519	1.1
595.41888	0.9
643.70538	0.9
877.46887	100.0
878.47601	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	875.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68892	6.4
70.32922	5.8
70.59223	14.1
70.59628	13.5
71.92159	6.1
75.10639	6.0
81.03410	7.3
85.02872	14.2
109.02768	6.6
121.02842	7.8
125.21453	7.0
153.01790	12.9
165.01790	13.0
183.02921	9.7
189.01819	7.0
190.75064	6.4
194.01988	6.5
203.03496	6.0
207.02911	7.7
229.04907	8.5
231.02797	10.4
244.03485	8.0
245.04422	16.3
247.02219	6.8
253.04980	9.2
255.02820	9.8
257.04398	14.0
261.03909	15.2
269.04456	8.6
272.03091	25.4
273.03888	46.7
274.04575	13.7
283.02478	9.0
284.03104	15.3
285.03928	29.7
289.03391	10.8
297.03821	17.8
298.04382	7.5
299.05515	12.9
301.03400	8.9
303.04831	12.2
309.03989	10.7
311.05429	9.0
323.05368	11.8
324.06201	8.8
325.03253	7.2
335.05203	12.0
337.03210	9.0
339.04800	9.3
351.04907	16.5
363.04877	10.9
366.03696	41.7
373.02667	6.8
378.03723	9.7
379.04398	22.9
380.05200	100.0
381.05896	19.4
390.03586	19.7
391.04465	15.4
403.04251	8.8
404.05225	10.4
409.05695	12.7
421.01132	10.0
501.04492	7.3
527.05872	21.2
531.05548	12.4
532.06250	12.5
537.04199	15.8
539.05811	11.3
542.04919	8.8
543.05469	23.1
545.06952	35.4
547.05042	10.4
551.05359	8.4
555.05414	28.0
559.04840	23.5
560.05786	9.9
561.06024	8.3
563.04968	9.7
567.05328	18.4
569.06818	16.7
571.05084	18.5
573.06165	21.0
575.04779	8.9
579.05652	9.1
581.06360	11.3
584.05536	13.5
585.06140	26.8
587.04840	9.1
589.05988	22.3
593.05597	21.6
595.04785	9.8
597.06683	20.7
601.05750	17.4
602.06519	13.8
603.06628	12.8
605.05640	17.2
609.06421	14.4
613.05652	18.8
614.07440	10.1
615.07007	7.9
617.05768	33.5
621.07062	8.9
625.06006	15.4
626.06250	10.3
627.07318	18.7
628.07886	8.5
635.06555	20.4
637.05823	11.7
641.06042	8.0
643.07587	7.7
651.08038	7.2
653.05310	11.7
655.06512	13.7
659.06573	18.0
662.08759	13.4
667.06934	10.5
668.07422	11.5
671.06281	17.7
679.06201	8.6
683.06116	20.3
685.07794	19.8
686.08472	13.8
691.08698	21.8
701.07697	14.9
703.09052	16.9
704.09271	28.1
705.09680	9.6
707.07849	11.3
719.08240	9.8
722.10370	11.2
725.08374	12.1
806.13263	9.2
824.13757	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	874.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.6
65.03922	4.6
67.05497	100.0
69.03400	7.9
69.07059	35.7
71.04992	7.4
79.05484	61.0
81.03397	9.4
81.07047	83.8
81.07543	2.8
83.04966	11.6
83.08606	22.2
85.02921	2.9
85.06535	4.2
91.05465	48.1
93.07031	56.1
95.01315	1.1
95.04958	13.4
95.08595	34.9
97.02882	3.8
97.06512	18.0
97.10152	16.4
98.21502	1.6
99.08083	3.9
103.05470	2.0
104.15218	1.0
105.07012	47.2
107.04940	10.8
107.08579	48.6
109.02847	2.5
109.05860	1.3
109.06514	9.1
109.10149	39.5
111.07407	1.1
111.08069	6.7
113.09616	1.2
115.05447	1.7
117.07005	19.2
119.08563	32.6
121.06493	4.4
121.10131	19.6
123.08080	6.2
123.11662	5.9
125.09623	14.3
127.03963	3.1
127.07561	1.5
129.06999	7.1
130.07820	1.8
131.08553	24.1
133.06473	2.0
133.10110	24.9
135.08070	8.8
135.11688	12.9
137.09627	4.0
141.06938	2.3
143.08559	6.9
145.06522	1.5
145.10112	18.0
147.08005	2.3
147.11684	14.4
149.09601	16.1
149.13255	11.4
151.11166	3.3
155.08560	4.7
155.10657	1.8
157.10107	8.9
159.08115	2.8
159.11670	19.0
161.09660	2.2
161.13257	5.1
163.11162	8.3
163.14833	1.3
169.10138	4.9
171.11673	3.8
173.11728	8.4
173.13293	7.4
175.11087	1.6
177.12651	5.9
179.14366	2.7
181.12292	1.6
183.11652	4.4
185.13231	2.9
187.11195	3.3
187.13228	1.3
187.14870	3.0
189.11201	8.9
189.12743	1.7
195.11919	1.9
195.13800	5.3
197.09622	1.3
197.11568	1.1
197.13300	3.2
199.14905	1.2
205.12077	1.5
207.11560	1.7
211.14888	1.8
213.16483	2.2
215.14249	1.4
227.12735	21.4
227.14764	1.9
229.14288	23.7
229.16385	1.7
229.19519	3.3
229.43124	1.3
239.17979	5.9
241.14343	1.7
243.15964	1.7
245.13567	1.5
247.20604	2.9
255.15971	4.1
257.18970	11.3
265.21329	1.2
267.15909	3.3
269.17426	27.3
275.20038	56.5
276.20316	2.4
289.21780	1.3
291.19727	2.1
293.21097	5.7
313.21484	1.8
331.22690	5.0
349.23694	49.4
350.23975	2.6
367.24792	11.5
395.20883	1.9
399.24026	1.7
409.25711	8.0
423.27362	22.7
424.27417	1.5
431.28040	2.7
433.30753	1.7
439.26218	1.4
445.29559	2.6
449.28821	8.0
451.31836	1.6
462.09677	1.3
463.30533	17.9
469.33633	1.3
503.33582	24.8
519.33344	2.8
521.34656	5.3
525.35797	3.9
529.35162	5.6
543.36792	43.2
544.36743	2.6
547.36530	1.8
549.39185	1.6
561.37823	10.3
567.31201	2.4
583.30450	1.3
607.34631	1.9
623.42834	12.1
641.43903	11.6
705.42975	1.7
875.47198	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	872.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.9
65.03921	3.4
65.11321	1.0
67.05492	61.0
69.03420	12.4
69.07055	44.9
69.53786	10.5
70.06584	1.3
71.04985	15.2
72.87873	1.1
73.02900	3.9
75.53799	1.0
79.05478	62.3
81.03408	14.5
81.07042	100.0
82.07336	1.6
83.04958	11.1
83.08607	16.7
85.02886	4.9
85.06507	4.4
91.05462	52.2
93.07027	52.8
95.04951	20.5
95.08004	2.1
95.08591	37.5
97.02864	5.8
97.06514	56.6
97.10146	5.1
99.04415	2.4
99.08066	6.6
103.05466	1.6
103.74823	1.2
105.04456	1.1
105.07011	45.1
107.04932	14.1
107.08575	32.7
107.09314	1.3
109.02834	3.0
109.06499	28.1
109.10133	13.3
111.04443	2.4
111.08067	7.8
113.05926	2.0
115.05457	2.3
115.07554	16.6
117.07011	16.7
119.04904	1.3
119.08562	30.0
121.06496	10.6
121.10118	20.9
123.04376	1.6
123.08046	13.0
123.11692	8.3
125.09598	6.5
127.03839	5.8
127.07539	3.2
128.06206	1.9
129.05455	2.0
129.06978	9.8
130.07767	1.5
131.08542	25.3
133.06436	4.1
133.10112	27.7
135.08020	10.9
135.11642	12.8
137.09581	5.6
139.11182	1.2
141.06921	2.8
143.08525	8.8
144.09262	1.6
145.06424	2.8
145.10100	20.5
147.08008	5.9
147.11649	20.2
149.09578	11.5
149.13228	10.7
151.11154	4.8
155.08508	4.5
157.10094	6.7
159.08017	2.2
159.11658	14.7
161.09590	6.9
161.13284	5.6
163.11148	7.5
163.14760	1.7
165.09087	1.6
165.12712	5.4
167.08339	1.2
169.10123	3.0
171.11632	5.5
173.04439	3.5
173.09576	4.2
173.13232	5.7
175.11176	6.1
175.14815	1.5
177.12686	5.3
179.10802	1.7
179.14238	1.3
181.10040	2.7
183.11678	4.7
185.13205	2.6
187.11133	2.4
187.14799	2.5
189.11180	2.1
189.12744	1.8
193.12254	2.7
193.16060	1.3
195.13757	4.5
197.13190	3.2
199.11133	1.6
199.14757	3.7
201.12701	3.0
201.16357	2.0
203.14256	1.9
205.12218	1.1
211.14801	2.1
213.12578	1.8
215.17801	1.6
217.15913	6.6
219.13710	1.1
219.17453	1.4
221.15268	2.5
223.13287	2.2
227.12741	1.6
227.17906	2.2
229.14227	1.3
229.19400	2.3
233.15378	3.4
237.16539	1.5
239.17992	2.7
245.19058	3.8
247.20450	2.8
253.14299	3.6
255.17673	2.5
257.18927	6.4
263.20148	2.3
267.15881	4.3
269.17401	18.8
273.15656	2.2
273.18436	29.6
275.20007	60.3
285.16870	1.8
288.54184	1.2
291.19519	22.2
292.19757	1.4
293.17981	1.9
293.21051	15.5
301.21637	1.3
303.19388	1.6
307.18973	4.4
309.20865	1.3
326.07764	1.3
329.20883	2.8
347.22086	14.3
349.23666	26.3
365.23230	17.0
366.23334	1.2
367.24741	35.1
368.25250	1.5
383.24210	5.5
525.35614	2.2
529.35687	3.6
543.36761	16.0
547.36230	3.2
559.36139	2.2
561.37830	13.0
562.38116	1.6
581.37958	2.0
589.37793	1.5
597.37848	1.4
599.39069	3.3
621.41180	4.0
639.42517	12.4
657.43451	13.3
658.42950	1.6
675.44165	7.4
863.75916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.1
62.87246	0.8
65.03918	3.5
65.20346	0.8
67.05492	53.3
69.03428	4.8
69.06684	1.7
69.07055	30.0
69.99771	1.8
70.00192	3.6
70.06550	1.3
71.04995	7.5
73.02889	1.7
74.50848	0.9
79.05478	47.7
81.03406	11.0
81.07042	100.0
82.23275	0.9
83.04963	13.0
83.08609	16.3
85.02874	3.5
85.06520	3.9
91.05462	39.6
93.07027	43.1
95.04950	18.9
95.08586	31.7
97.02882	2.1
97.06509	23.8
97.10149	12.2
98.20594	1.0
99.04411	1.2
99.08061	5.2
101.05975	1.0
103.05447	1.4
105.07011	38.8
107.04940	13.9
107.08573	27.9
109.02868	1.5
109.06502	24.1
109.10129	13.5
111.04427	5.4
111.08057	8.1
115.05391	1.1
115.07538	3.3
117.06984	13.7
119.04946	1.4
119.08563	31.3
120.08894	0.9
121.06497	7.5
121.10134	18.4
123.04399	1.0
123.08049	15.4
123.11697	5.8
125.09611	11.2
128.06201	2.3
129.06969	8.1
130.07768	1.9
131.08548	16.7
133.06508	4.4
133.09172	1.5
133.10112	20.2
135.08032	7.8
135.11667	10.5
137.09593	5.2
139.11102	1.9
141.06929	2.4
142.07735	1.8
143.08548	6.6
145.06456	2.9
145.10097	18.5
147.08018	6.2
147.11670	15.2
149.09599	10.5
149.13194	6.0
151.07503	1.2
151.11147	3.3
153.09074	1.9
153.12721	2.0
155.08490	2.3
157.10106	9.4
159.08018	2.0
159.11673	10.2
161.09641	7.1
161.13194	2.2
163.07526	1.5
163.11145	12.8
163.14737	1.1
165.09088	2.4
165.12714	4.2
169.10094	2.6
171.10274	1.3
171.11623	5.4
173.09608	3.6
173.13237	4.3
175.11163	5.7
175.14815	1.3
177.12689	3.6
179.10603	1.8
181.12193	2.2
183.11638	2.5
185.13220	4.2
187.11157	1.8
187.14900	1.1
189.11168	7.2
189.12695	1.7
190.80782	1.0
191.10641	1.6
191.14182	1.2
193.12173	4.2
195.11725	1.2
195.13858	2.3
197.13245	1.6
199.11279	1.1
199.14790	2.0
201.12646	1.6
201.16263	1.0
211.14868	1.4
215.14288	1.3
217.15848	2.1
219.13902	1.1
223.13216	2.2
225.12749	1.0
227.12715	7.7
227.17995	1.2
229.19438	1.7
239.17928	1.5
245.18965	3.7
247.20546	3.2
251.16589	1.4
253.14389	1.5
255.17451	2.9
257.18967	3.3
263.19928	1.1
267.15912	2.7
267.68686	1.0
268.82532	0.9
269.17410	6.9
273.18448	25.1
275.20020	42.9
275.23062	2.0
276.20322	1.4
283.15250	1.2
291.19485	32.1
292.19818	1.1
293.20993	9.0
309.20471	3.8
329.21036	1.2
331.22574	0.9
347.22046	9.9
349.23703	21.2
365.23175	27.4
365.27753	1.4
367.24756	33.0
368.25226	2.1
377.94501	1.0
383.24261	9.1
383.95157	1.0
463.30518	3.5
519.32928	3.1
525.35699	1.0
537.33990	1.4
541.35132	1.3
543.36487	3.4
559.35907	2.0
565.39508	1.4
575.35181	1.5
621.41113	6.5
639.42493	23.8
640.43054	1.6
648.61121	1.0
657.43420	27.4
658.43787	1.9
675.44647	14.9
676.44922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.1
61.95803	1.7
65.03922	4.1
67.05497	76.7
69.03427	13.0
69.07058	49.9
69.43861	16.5
70.52422	1.5
71.01336	2.3
71.04982	16.6
73.02905	2.6
79.05480	71.4
81.03406	18.0
81.07045	100.0
83.04974	18.7
83.08612	23.2
85.02897	5.9
85.06525	5.1
91.05470	65.9
91.06036	3.5
93.07030	68.4
94.07359	1.7
95.04959	22.8
95.08597	39.8
97.02880	8.9
97.06515	49.5
97.10155	20.5
99.04436	2.6
99.08086	6.0
103.05481	1.8
105.04491	1.9
105.07014	46.5
107.04925	15.3
107.08580	52.1
109.02842	3.6
109.06508	23.1
109.10139	22.8
111.04435	6.5
111.08087	10.5
113.05984	2.4
115.05452	2.3
115.07536	11.1
117.06996	26.3
119.08574	39.2
121.06496	9.7
121.10115	23.3
123.08052	12.3
123.11686	4.9
125.05967	1.9
125.09626	17.3
127.03894	4.6
128.06195	3.5
129.05464	2.6
129.06982	12.9
130.07779	2.8
131.08548	27.8
133.06470	7.1
133.10115	31.7
135.08026	14.9
135.11661	18.3
137.05923	2.0
137.09615	5.9
141.06950	4.3
142.07753	1.9
143.08568	10.2
145.06479	3.4
145.10092	26.3
147.08029	8.8
147.11665	13.0
149.09602	15.7
149.13213	12.5
151.07552	2.2
151.11177	7.1
153.12700	3.4
155.08551	5.6
157.10097	13.2
159.08081	3.7
159.11678	17.3
161.09592	9.3
161.13231	6.0
163.11159	15.4
165.09137	4.4
165.12793	2.7
167.08511	2.4
169.10127	6.6
171.10263	2.8
171.11720	5.1
173.04448	3.3
173.09584	3.4
173.11769	2.5
173.13235	5.8
175.11136	4.8
177.12756	7.1
179.14311	2.2
181.10141	2.3
181.12239	6.5
183.11687	4.4
185.13249	4.0
186.33928	1.7
187.11166	4.5
187.76283	1.6
189.11229	15.1
189.12715	2.4
191.10634	3.0
195.11897	2.7
195.13795	9.3
197.13332	3.4
199.11118	2.9
199.14766	3.0
203.14307	2.0
205.12383	2.6
213.12785	2.8
213.16322	1.9
217.15860	2.3
219.13707	2.4
221.15302	3.0
223.13234	4.8
227.12737	24.2
227.17857	2.8
229.14291	6.2
233.15317	2.3
237.16525	2.1
239.18098	1.9
245.19026	4.7
249.14816	2.4
253.14320	7.4
255.15724	5.6
255.17747	4.1
257.18970	7.8
263.20044	1.9
267.15955	4.9
269.17407	37.8
273.18457	41.2
275.20047	32.5
291.19531	54.0
292.31116	1.9
293.21115	4.3
307.18622	1.7
309.20493	5.8
313.21552	2.2
340.66550	1.6
347.22101	15.4
349.23663	24.6
365.23132	27.9
367.24670	7.1
383.24261	9.4
439.26563	3.6
449.29626	2.1
463.30359	4.9
519.33063	10.5
535.32800	2.4
541.34991	8.5
543.36865	9.7
545.34528	8.6
559.36169	30.8
560.36316	2.6
577.37415	8.6
621.41272	4.8
639.42285	12.9
657.43127	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	872.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	1.3
65.03925	4.7
67.05493	73.7
68.05806	2.0
69.03419	8.8
69.07058	36.6
71.04993	6.8
73.02900	2.0
77.03945	2.0
79.05477	68.7
79.09676	1.2
80.74706	1.3
81.03399	16.8
81.07040	100.0
83.04976	16.6
83.08608	22.6
85.02896	8.7
85.06544	2.9
87.63440	1.4
91.05464	52.8
93.07028	59.8
95.04947	24.3
95.08588	32.3
97.02877	5.4
97.06515	24.7
97.10153	27.7
99.04451	3.9
99.08072	5.0
103.05431	2.4
105.07013	49.3
107.04929	18.0
107.08572	42.7
109.02831	2.3
109.06502	16.5
109.10122	19.8
111.04456	7.4
111.08067	11.9
113.05994	2.9
113.09602	1.4
115.05422	3.6
115.07561	3.2
117.07006	22.4
117.97610	1.4
119.04916	1.6
119.08563	35.8
121.06487	12.1
121.10117	22.6
123.08056	19.3
123.11684	6.0
125.09608	24.3
127.03881	2.9
128.06186	2.7
129.05417	1.9
129.06961	9.7
131.08553	25.8
133.06468	3.6
133.10107	28.1
135.08041	12.6
135.11670	18.1
137.09622	7.0
137.80067	1.3
139.07492	1.4
139.11183	2.0
141.06938	3.4
143.08554	9.9
143.10670	2.1
145.06395	3.5
145.10109	23.9
147.08022	11.5
147.11662	15.8
149.09598	19.2
149.13202	7.7
151.11157	4.6
153.09065	4.9
153.12709	3.5
155.08537	3.9
157.10106	9.5
159.08034	1.9
159.11668	14.7
161.09579	7.7
161.13257	6.6
163.11166	20.2
165.06963	1.7
165.09099	5.3
165.12737	4.8
169.10106	6.0
171.10260	2.6
171.11664	8.7
173.04478	1.6
173.09610	5.1
173.11789	2.0
173.13235	5.7
175.11182	6.1
177.12766	6.0
179.08553	1.9
179.14305	3.7
181.10016	1.6
181.12238	7.8
183.11617	3.5
185.13284	3.4
187.11107	5.1
187.14854	2.1
189.11198	18.7
189.12791	3.9
191.10619	5.5
193.12224	2.5
195.11771	1.8
195.13834	5.0
197.13237	3.3
199.11101	2.3
201.12852	1.9
203.14250	2.5
205.12228	1.6
209.13347	1.7
213.16426	1.8
215.17923	1.8
217.15892	3.4
219.13693	1.8
221.15367	1.5
223.13261	12.2
227.12733	30.7
227.17801	2.1
229.14151	2.8
229.19366	1.7
231.17545	1.4
239.18013	4.4
245.13797	3.5
245.19019	4.8
249.14966	1.7
253.14203	2.1
253.17993	3.1
255.15730	4.7
255.17705	3.0
257.18921	12.4
263.20093	2.0
267.15857	2.7
269.17398	23.6
273.18445	44.4
275.20038	44.8
276.20355	3.0
283.15387	2.6
291.19485	69.8
292.20084	3.1
293.21039	7.8
303.19717	1.6
309.20627	6.4
331.22589	2.6
347.22153	13.7
349.23676	40.0
365.23135	37.7
367.24808	10.3
368.25125	1.8
383.24216	10.6
419.28760	1.6
517.31909	1.7
519.33038	4.8
531.37225	1.6
535.32788	4.1
541.35193	7.5
543.36749	3.8
545.34546	6.5
559.36102	26.3
560.36505	2.4
561.37445	2.9
563.35614	3.0
577.37415	7.4
621.41077	6.7
639.42560	28.6
640.42773	1.8
657.43658	16.8
658.44617	2.1
675.44611	2.2
750.17761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	2.0
65.03916	4.5
67.05495	78.6
69.03421	10.1
69.07054	38.0
69.44437	3.4
69.44846	13.7
70.06555	1.9
71.04996	12.4
73.02901	2.0
77.03956	2.0
79.05476	77.8
80.05755	1.5
81.03402	18.1
81.07042	100.0
83.04960	19.7
83.08606	40.2
85.02888	7.5
85.06541	5.3
90.29988	1.4
91.05466	66.5
91.06045	3.2
93.07029	66.9
95.04954	64.6
95.08005	2.6
95.08590	44.0
97.02846	3.9
97.06512	33.4
97.10149	25.4
98.21485	3.7
99.04428	7.7
99.08095	7.4
103.05447	1.8
105.07008	60.9
107.04945	23.6
107.08577	48.0
107.09149	1.1
107.09312	1.8
109.02848	3.5
109.06483	24.0
109.10137	22.0
111.04435	17.4
111.08065	13.1
113.05978	3.7
115.05449	5.7
115.07533	8.5
117.06995	22.4
119.04910	3.6
119.08558	51.7
121.06482	14.8
121.10110	29.4
123.04368	1.7
123.08057	20.6
123.11671	3.7
125.05983	2.5
125.09611	29.0
127.03887	2.5
128.06197	3.2
129.05511	1.8
129.06964	13.1
130.07782	2.3
131.08536	31.1
133.06493	5.3
133.10101	32.3
135.08047	15.4
135.11671	21.4
137.09593	6.6
139.11165	3.6
141.06963	3.5
143.08546	10.7
145.06464	4.4
145.10092	35.8
147.08026	12.7
147.11642	16.3
149.09592	31.5
149.13210	6.3
151.07573	1.6
151.11124	5.5
153.09082	4.2
153.12730	5.4
155.08568	5.4
157.10098	11.2
159.08041	4.7
159.11684	16.2
161.09616	13.7
161.13231	5.4
163.11153	36.9
163.12466	3.0
165.09038	2.4
165.12744	5.2
169.10123	6.3
171.10248	2.3
171.11659	7.3
173.04556	2.0
173.09610	6.8
173.13225	7.6
175.11176	7.8
177.12759	7.9
179.14139	1.8
181.12230	6.7
183.11726	5.3
185.13216	4.3
187.11194	5.6
187.14845	3.4
189.11198	23.3
189.12712	2.2
191.10590	5.8
193.12263	4.4
195.13721	2.3
197.13261	4.7
199.11153	1.9
201.12685	3.6
203.14273	3.2
205.12138	4.1
209.13339	2.0
211.13167	2.0
211.14948	2.6
213.16338	2.1
215.14433	1.6
217.15872	3.3
219.17342	2.4
221.15382	2.2
223.13240	32.8
227.12727	23.4
229.14360	3.0
229.19466	4.8
231.17546	2.3
239.17946	6.8
245.13815	1.9
245.19046	3.3
247.20621	2.8
249.14795	1.6
255.17418	6.4
257.18924	13.5
269.17477	8.8
273.18466	37.9
275.20023	65.4
276.20401	2.0
283.15326	2.2
291.19510	59.9
291.22766	3.0
293.21078	29.1
309.20502	4.7
329.20932	2.9
347.22144	17.7
349.19553	3.0
349.23688	39.3
365.23187	40.4
366.23355	1.9
367.24768	44.6
383.24222	13.5
396.21976	2.0
431.29196	1.6
439.26642	2.0
519.33148	6.5
529.35126	2.1
537.34546	2.0
541.35126	2.2
543.36499	6.6
547.36401	2.7
559.36316	4.6
561.37616	2.2
621.41266	7.5
639.42480	34.1
640.43304	2.4
657.43494	39.0
675.44641	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	870.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.6
63.56837	0.7
65.03928	2.0
67.05492	51.3
69.03418	3.5
69.07054	24.6
69.53276	6.6
71.04982	14.4
71.08614	1.0
71.56831	0.7
74.94527	0.7
78.11086	0.6
79.05479	43.7
81.03413	6.0
81.07042	100.0
82.07362	1.4
83.04967	5.7
83.08611	17.7
85.02911	1.2
85.06511	4.2
91.05463	39.6
93.07027	35.6
95.04953	13.1
95.08587	29.9
97.02866	1.8
97.06513	8.4
97.10144	3.4
99.04439	1.3
99.08103	3.9
103.05450	1.2
105.04522	0.9
105.07010	38.0
107.04934	10.8
107.08573	24.0
109.06499	28.4
109.10130	11.8
111.04417	5.5
111.08078	4.8
113.00009	6.5
113.09644	2.1
115.05461	0.8
117.06987	10.4
119.08560	27.8
121.06483	6.4
121.10123	18.8
123.04376	0.8
123.08062	9.2
123.11689	6.7
125.05952	1.3
125.09628	3.2
127.07580	0.7
128.87019	0.7
129.06985	5.3
130.07767	0.9
131.08551	18.1
133.06490	2.0
133.10103	21.3
135.08046	5.8
135.11667	8.9
137.09599	6.1
139.11203	1.3
141.06990	1.3
142.07747	1.2
143.08569	4.4
145.06474	1.9
145.10092	14.6
147.08035	2.8
147.11665	20.7
147.12865	1.0
149.09590	11.2
149.13229	8.7
151.11177	3.6
153.09108	0.8
155.08508	1.6
157.10118	5.4
159.11671	12.6
161.09593	1.6
161.13217	4.3
163.11153	8.6
163.14832	3.2
165.08958	0.9
165.12761	5.1
167.10641	0.9
167.12761	0.8
169.02574	5.5
169.10117	2.9
171.11656	3.4
173.09644	1.1
173.11935	1.2
173.13190	4.9
175.11232	3.7
175.14703	1.5
177.12733	2.9
179.14372	1.4
183.11707	2.0
185.13339	1.3
187.03748	0.9
187.11224	1.5
187.14856	1.1
189.12820	2.1
191.10655	1.0
191.14282	1.7
193.12276	2.5
193.35437	0.6
195.13788	1.0
197.13322	1.5
201.12714	1.3
207.13921	0.9
215.10342	0.7
227.12837	1.1
229.19437	4.5
239.18013	3.1
247.20586	4.5
255.15926	1.5
257.18976	7.6
257.21408	0.8
267.15945	2.1
269.17410	4.8
271.79153	0.7
275.20010	73.7
276.20425	1.2
291.19556	0.9
293.21103	10.2
307.22586	5.9
311.25790	2.9
331.22406	1.0
333.24667	0.9
335.26044	0.8
337.27390	2.6
349.23685	51.5
350.24344	1.1
367.24747	29.4
381.26297	35.1
529.35144	1.0
543.36823	4.6
547.36365	0.8
549.39496	1.0
561.37872	2.2
575.39343	4.5
623.42957	34.1
624.43512	1.4
641.44025	22.8
655.45569	9.1
659.45032	5.6
673.46619	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	870.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.0
67.05492	60.9
69.03425	6.4
69.07054	31.2
70.94868	1.1
70.95225	2.8
71.04977	16.2
71.08614	1.0
77.03907	1.1
79.05477	52.6
79.82478	0.9
81.03414	9.1
81.07040	100.0
83.04966	9.0
83.08602	22.9
85.02874	4.7
85.06513	3.5
85.33442	1.0
91.05462	52.2
93.07027	56.4
95.01332	1.2
95.04948	22.9
95.08588	41.7
97.02876	3.0
97.06509	16.0
97.10161	7.4
99.04424	1.2
99.08079	4.5
103.05439	2.4
105.07014	44.0
105.07720	2.5
107.04943	12.6
107.08570	33.4
109.06501	23.3
109.10120	14.7
111.04431	4.9
111.08076	6.9
113.00018	5.3
113.05966	1.2
113.09613	3.1
115.05413	2.6
117.06995	17.6
118.44657	1.0
119.08554	31.3
121.06503	7.9
121.10124	23.4
123.08038	8.6
123.11692	7.5
125.09586	6.3
127.03892	3.0
128.06195	1.6
129.05531	1.6
129.06969	4.9
130.07787	1.8
131.08540	22.6
133.06479	2.8
133.10114	27.9
135.08011	7.4
135.11676	12.1
137.09593	5.2
137.13196	1.3
139.11125	1.7
141.06972	1.7
142.07742	1.3
143.08524	5.6
145.06464	3.3
145.10094	19.3
147.08018	2.3
147.11662	19.8
149.09581	19.0
149.13231	9.6
151.11177	4.1
155.08510	2.1
157.10104	6.5
159.07993	2.0
159.11665	15.3
161.09583	3.4
161.13232	5.2
163.11151	15.8
163.14796	1.7
165.12750	5.0
169.02609	5.7
169.10095	4.5
171.11662	4.3
173.04430	1.2
173.09605	2.4
173.13229	6.2
175.11185	3.2
175.14789	1.5
177.12692	4.8
179.14305	2.8
181.12166	2.2
183.11676	4.2
185.13213	2.1
187.11174	2.1
187.14815	2.2
189.11206	2.5
189.12761	1.7
193.12146	2.1
195.13762	2.1
197.13275	2.6
201.12733	1.7
205.12056	1.2
207.13797	1.3
211.27205	1.1
215.17995	1.1
219.13797	2.0
226.76741	1.2
227.12724	5.3
229.19505	3.2
235.17000	1.3
239.17911	5.1
247.20486	4.1
251.16434	2.2
255.15723	6.6
257.18958	11.7
267.15936	3.8
269.17419	21.5
275.20013	80.5
276.20413	2.4
289.21738	1.1
293.21100	9.0
307.22629	9.9
311.25693	5.5
331.22705	2.9
335.25934	1.6
337.27197	6.1
349.23669	68.6
350.23981	2.0
367.24731	15.1
373.73004	1.3
381.26303	24.9
413.21756	2.2
529.34863	8.2
531.36945	1.4
543.36816	19.5
561.37775	6.0
575.39349	34.0
576.39648	1.3
623.42957	25.4
624.43213	1.2
641.44116	14.1
655.45367	13.3
659.44623	2.2
673.46381	10.9
770.47400	1.2
815.43384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.0
65.03918	2.8
67.05495	35.6
69.03422	9.9
69.06688	1.3
69.07059	26.7
71.04977	4.1
71.70213	0.7
73.02909	0.9
79.05480	37.9
81.03410	9.4
81.07043	50.5
83.04507	0.8
83.04967	9.8
83.08608	15.7
85.02903	3.4
85.06512	1.6
91.05465	28.8
93.07031	29.7
94.04166	0.9
95.01301	0.8
95.04954	17.3
95.08003	1.1
95.08586	18.0
96.05232	0.7
97.02881	6.3
97.06524	8.9
97.09579	1.2
97.10159	17.0
99.04440	1.5
99.08081	1.4
103.05450	1.6
105.03353	1.1
105.04469	1.0
105.07019	23.4
107.04935	13.9
107.08572	22.1
107.47365	0.6
109.02854	1.8
109.06509	8.5
109.10143	11.2
110.37344	0.7
111.04426	6.7
111.08062	5.4
113.05986	1.1
115.05428	2.2
115.07537	0.9
116.06243	0.6
117.07005	12.2
119.04916	2.6
119.08565	19.9
121.06493	6.9
121.10135	9.9
123.04395	2.0
123.08041	12.1
123.11655	1.7
125.05918	1.0
125.09615	14.9
127.03914	0.9
128.06129	1.5
129.05472	1.0
129.06987	7.1
130.07736	1.8
131.04880	1.1
131.07632	1.2
131.08537	13.4
133.06456	5.6
133.10115	9.8
135.08029	7.8
135.11667	7.1
137.05962	0.7
137.09613	3.8
139.11145	0.9
140.21103	0.7
141.06955	2.3
142.07719	1.3
143.08548	6.4
145.06487	3.2
145.10095	13.0
147.08025	9.7
147.11661	6.9
149.09602	6.5
149.13232	2.9
151.11150	2.0
153.09071	2.4
153.12680	2.5
155.08534	2.1
157.06494	1.1
157.10056	5.9
159.08067	3.5
159.11684	5.0
161.09610	7.5
161.13242	2.0
163.11157	10.3
165.09085	2.8
165.12672	1.4
167.08473	0.8
169.10094	2.3
171.10260	1.1
171.11664	3.5
173.09669	3.1
173.11740	1.1
173.13173	1.5
175.11156	5.3
177.09084	0.7
177.12717	2.4
179.10509	0.8
181.10033	0.7
181.12227	3.7
183.11673	0.9
185.09529	1.3
185.13225	2.3
187.11061	1.6
189.11224	10.1
189.12750	1.4
191.10611	2.9
193.12224	2.8
195.11690	1.0
195.13680	0.9
199.11115	1.0
205.12231	2.3
211.13176	1.0
217.15994	0.8
219.13698	1.0
221.11664	0.7
223.13275	14.8
227.12764	13.4
227.17883	2.2
237.16431	0.8
245.19012	3.2
249.14807	3.6
253.14302	1.2
255.17468	4.7
257.18997	1.5
261.18472	1.7
263.20059	1.1
267.15860	3.0
269.17429	1.7
271.16977	1.1
273.18466	33.1
275.20090	5.5
279.15939	0.8
283.15289	2.3
289.17960	5.1
291.19492	100.0
292.19882	3.8
307.18967	2.1
309.20502	3.5
329.21292	1.0
343.22052	0.7
347.22119	11.6
349.23550	3.7
363.21667	2.0
365.23178	55.6
366.23486	2.1
367.24670	1.1
381.22586	2.6
383.24213	7.9
517.31384	0.8
535.32428	2.8
545.35144	1.0
551.32690	0.6
557.34357	3.3
559.35809	1.2
561.34515	0.9
573.33563	0.9
575.35614	2.9
619.40161	0.8
637.40869	9.2
655.41986	31.8
656.41925	1.8
673.42969	12.2
674.43201	1.1
799.98389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.0
65.03918	2.8
67.05495	35.6
69.03422	9.9
69.06688	1.3
69.07059	26.7
71.04977	4.1
71.70213	0.7
73.02909	0.9
79.05480	37.9
81.03410	9.4
81.07043	50.5
83.04507	0.8
83.04967	9.8
83.08608	15.7
85.02903	3.4
85.06512	1.6
91.05465	28.8
93.07031	29.7
94.04166	0.9
95.01301	0.8
95.04954	17.3
95.08003	1.1
95.08586	18.0
96.05232	0.7
97.02881	6.3
97.06524	8.9
97.09579	1.2
97.10159	17.0
99.04440	1.5
99.08081	1.4
103.05450	1.6
105.03353	1.1
105.04469	1.0
105.07019	23.4
107.04935	13.9
107.08572	22.1
107.47365	0.6
109.02854	1.8
109.06509	8.5
109.10143	11.2
110.37344	0.7
111.04426	6.7
111.08062	5.4
113.05986	1.1
115.05428	2.2
115.07537	0.9
116.06243	0.6
117.07005	12.2
119.04916	2.6
119.08565	19.9
121.06493	6.9
121.10135	9.9
123.04395	2.0
123.08041	12.1
123.11655	1.7
125.05918	1.0
125.09615	14.9
127.03914	0.9
128.06129	1.5
129.05472	1.0
129.06987	7.1
130.07736	1.8
131.04880	1.1
131.07632	1.2
131.08537	13.4
133.06456	5.6
133.10115	9.8
135.08029	7.8
135.11667	7.1
137.05962	0.7
137.09613	3.8
139.11145	0.9
140.21103	0.7
141.06955	2.3
142.07719	1.3
143.08548	6.4
145.06487	3.2
145.10095	13.0
147.08025	9.7
147.11661	6.9
149.09602	6.5
149.13232	2.9
151.11150	2.0
153.09071	2.4
153.12680	2.5
155.08534	2.1
157.06494	1.1
157.10056	5.9
159.08067	3.5
159.11684	5.0
161.09610	7.5
161.13242	2.0
163.11157	10.3
165.09085	2.8
165.12672	1.4
167.08473	0.8
169.10094	2.3
171.10260	1.1
171.11664	3.5
173.09669	3.1
173.11740	1.1
173.13173	1.5
175.11156	5.3
177.09084	0.7
177.12717	2.4
179.10509	0.8
181.10033	0.7
181.12227	3.7
183.11673	0.9
185.09529	1.3
185.13225	2.3
187.11061	1.6
189.11224	10.1
189.12750	1.4
191.10611	2.9
193.12224	2.8
195.11690	1.0
195.13680	0.9
199.11115	1.0
205.12231	2.3
211.13176	1.0
217.15994	0.8
219.13698	1.0
221.11664	0.7
223.13275	14.8
227.12764	13.4
227.17883	2.2
237.16431	0.8
245.19012	3.2
249.14807	3.6
253.14302	1.2
255.17468	4.7
257.18997	1.5
261.18472	1.7
263.20059	1.1
267.15860	3.0
269.17429	1.7
271.16977	1.1
273.18466	33.1
275.20090	5.5
279.15939	0.8
283.15289	2.3
289.17960	5.1
291.19492	100.0
292.19882	3.8
307.18967	2.1
309.20502	3.5
329.21292	1.0
343.22052	0.7
347.22119	11.6
349.23550	3.7
363.21667	2.0
365.23178	55.6
366.23486	2.1
367.24670	1.1
381.22586	2.6
383.24213	7.9
517.31384	0.8
535.32428	2.8
545.35144	1.0
551.32690	0.6
557.34357	3.3
559.35809	1.2
561.34515	0.9
573.33563	0.9
575.35614	2.9
619.40161	0.8
637.40869	9.2
655.41986	31.8
656.41925	1.8
673.42969	12.2
674.43201	1.1
799.98389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.4
65.03937	3.7
67.05135	3.2
67.05495	57.8
69.03413	13.1
69.06685	3.1
69.07059	43.2
71.04996	23.1
71.71769	2.1
76.50768	1.5
79.05483	50.2
81.03424	11.6
81.07045	100.0
83.04977	6.7
83.08607	18.5
85.02882	2.9
85.06543	3.6
91.05463	46.8
93.07037	41.1
95.01332	1.6
95.04958	19.4
95.08592	29.7
97.02872	8.6
97.06522	12.7
97.10162	13.9
99.04436	1.5
99.08063	4.3
103.05459	2.0
105.07016	43.5
107.04936	16.5
107.08577	33.0
109.06503	27.8
109.10137	14.8
111.04417	8.1
111.08072	8.4
113.09618	3.3
117.07003	16.5
119.04897	1.9
119.08563	32.4
121.06508	7.8
121.10110	15.4
123.08027	11.2
123.11699	6.3
125.09618	12.3
128.06192	2.5
129.07002	5.9
130.07780	2.4
131.08543	21.1
133.06490	5.2
133.10117	20.0
134.07327	1.9
135.08012	8.6
135.11630	7.4
137.09563	7.8
137.72235	1.5
143.08560	6.1
145.10088	17.1
147.08040	8.8
147.11667	19.4
149.09595	11.1
149.13252	9.8
151.11166	4.6
155.08582	1.7
157.10117	6.3
159.11667	9.5
161.09592	4.9
161.13264	3.4
163.11136	10.2
163.14799	3.1
165.12741	3.8
169.10089	2.1
171.11696	5.8
173.13289	5.0
175.11162	5.6
175.14845	2.0
177.12704	3.2
183.11673	3.3
185.13214	2.8
187.11122	1.6
187.14763	2.1
189.11127	2.8
193.12193	3.9
194.47281	1.6
197.13150	1.8
201.12874	1.9
205.12280	2.4
223.13264	22.6
227.12833	5.2
229.19458	1.8
239.18028	2.3
245.18976	1.6
247.20583	6.4
249.14885	4.1
253.14290	2.6
257.18976	5.2
263.20370	1.6
267.15891	2.9
273.18457	17.8
275.20041	73.0
276.20633	1.9
291.19492	95.9
292.19818	3.4
293.21127	8.6
307.22610	11.8
331.15771	1.5
347.22037	2.4
349.23700	32.8
351.52011	1.5
365.23184	55.6
366.23450	2.5
367.66672	1.8
381.26315	28.6
541.35388	2.5
555.18793	1.5
559.36053	2.2
621.41016	3.1
639.42493	93.2
640.42584	7.4
657.43549	10.7
671.34467	2.9
671.45111	43.0
672.45300	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	867.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57576	0.6
63.79787	0.6
65.03945	1.3
67.01876	0.7
67.05489	1.5
68.99777	9.7
69.03401	0.6
70.05679	2.8
77.03918	1.0
79.05470	1.6
81.03394	3.5
81.94103	0.6
83.04980	0.7
84.13932	0.7
85.02895	1.4
89.03899	2.4
91.05491	1.0
93.03373	1.0
95.04929	1.9
99.04435	1.5
103.05447	1.3
105.03361	1.4
105.06990	0.8
107.04935	6.7
109.02852	4.0
111.00792	6.9
111.04418	7.6
115.05432	1.3
117.03366	1.7
117.07023	0.8
119.04916	2.1
121.02850	4.9
123.04408	59.8
124.04678	0.8
127.03893	100.0
128.04242	1.1
129.07008	0.8
131.04892	3.3
131.86421	0.6
135.04390	58.1
137.02313	4.4
139.03876	47.6
141.06964	1.2
143.04897	1.5
145.06430	0.8
147.04376	8.1
149.02321	7.2
149.05959	2.2
151.03882	13.8
151.07616	0.7
153.05463	1.0
153.06911	1.4
155.04898	1.9
157.06462	1.5
159.04416	4.2
161.02290	1.3
161.05940	4.5
163.03879	56.7
164.04277	1.0
165.01866	0.9
165.05457	5.6
167.03387	6.1
169.04956	2.5
169.06450	2.2
173.05904	4.7
175.03929	4.0
177.05467	6.5
179.03365	8.5
181.04944	1.4
181.06474	1.8
183.04378	2.6
185.05956	2.3
187.03862	8.1
187.07527	1.3
189.01808	0.6
189.05414	3.8
191.03348	9.3
193.04982	1.9
197.05960	5.5
201.05426	10.0
203.03372	13.3
203.06956	2.5
205.04898	2.9
207.02866	0.7
207.06528	1.3
209.06116	0.9
211.03891	1.2
213.05431	2.3
215.03511	3.2
215.07034	2.7
217.04840	3.3
219.06476	1.0
223.02350	1.7
225.05476	2.6
227.03452	0.7
227.06963	1.3
229.04893	11.8
231.02721	0.7
231.06516	1.7
233.04370	4.0
237.05376	1.7
241.04808	2.8
243.02797	0.9
243.06451	5.0
244.03758	0.9
245.04416	57.6
246.04823	1.1
247.05980	51.5
248.06339	0.8
253.04842	3.0
255.06410	2.9
257.04401	16.9
258.05145	2.0
259.05963	11.6
261.03693	0.7
261.07584	2.4
263.05481	1.9
265.04889	1.3
267.06354	0.9
269.04401	4.9
270.05185	0.8
271.05963	28.3
273.03900	1.5
273.07584	2.0
274.04742	2.3
275.05438	21.6
279.06540	0.9
281.04510	2.7
283.05942	12.4
283.08875	1.0
284.06357	0.8
285.03833	5.5
287.05444	19.1
288.05640	0.8
289.07010	29.7
291.08566	21.0
293.04312	0.9
295.05859	3.0
297.03967	2.1
297.07382	1.3
299.05524	5.7
301.07001	14.3
303.04910	2.3
303.08655	2.8
307.06140	1.4
309.03967	2.3
311.05414	2.3
313.07022	1.7
321.07703	0.9
323.05502	2.6
329.06555	1.1
331.08203	1.3
333.07388	0.7
335.05460	0.9
337.07153	0.8
345.07532	0.8
349.06982	1.0
351.04926	2.6
361.07178	1.3
363.04767	1.0
363.08752	1.0
365.06506	2.4
369.06189	0.7
377.06491	1.3
379.08307	3.5
383.07547	3.7
389.06723	0.9
391.08151	2.3
393.05725	4.1
395.07690	1.8
397.09207	5.9
401.06512	0.7
405.05722	4.2
407.07559	22.6
409.09100	27.5
410.09161	1.1
411.10648	4.5
415.08258	0.7
419.07666	4.4
421.09280	4.3
425.08624	6.8
427.10211	14.8
431.07462	0.8
433.09109	2.3
435.10837	1.0
437.08658	9.1
439.10178	2.1
449.08517	2.3
451.10361	3.8
476.63339	0.7
517.11346	2.8
527.09601	4.1
535.12195	1.8
541.11273	2.0
545.10718	6.8
557.10553	0.8
559.12207	1.6
571.11896	1.0
573.74969	0.7
577.12994	1.3
579.14911	5.0
589.12958	1.1
649.07861	0.8
679.14001	1.4
697.15509	3.0
715.16534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35117	0.4
70.82961	1.2
70.83322	1.1
79.33002	0.4
87.44265	0.5
88.64513	0.5
121.02841	0.6
143.03146	0.5
167.75974	0.5
181.03685	0.5
206.54222	0.5
215.01862	0.5
257.04520	0.8
257.60049	0.6
271.43237	0.6
295.02139	1.0
313.01965	1.2
315.03458	0.9
319.03036	2.2
325.02570	1.7
329.05258	1.3
331.02914	4.7
333.04468	15.5
334.04803	1.0
337.03876	1.1
343.02921	5.9
345.04495	1.1
347.06137	1.4
349.03790	0.7
351.05603	8.7
355.02933	4.9
357.04712	0.6
361.03998	9.7
367.02988	0.9
369.04272	1.2
371.06009	0.6
373.03879	2.7
379.05014	2.3
381.04431	1.2
385.04163	1.4
391.05280	4.1
396.05392	0.6
403.05121	3.0
409.04495	2.4
415.04993	1.0
427.06094	7.4
430.93185	0.7
433.06097	1.6
445.07352	100.0
446.07547	3.8
463.07104	5.7
486.09009	1.2
553.05994	0.9
569.05493	4.5
569.45374	0.6
585.04761	0.8
591.03937	0.7
595.06677	0.8
597.04675	0.9
609.05090	4.8
627.06207	5.4
645.06464	1.3
651.06018	2.0
657.07086	0.9
663.05811	0.8
675.06049	1.1
676.06116	0.7
681.06946	2.1
693.07098	1.5
711.07654	1.1
729.09460	3.5
747.10535	3.7
759.09338	0.9
777.90900	0.6
849.14557	0.9
867.14813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35117	0.4
70.82961	1.2
70.83322	1.1
79.33002	0.4
87.44265	0.5
88.64513	0.5
121.02841	0.6
143.03146	0.5
167.75974	0.5
181.03685	0.5
206.54222	0.5
215.01862	0.5
257.04520	0.8
257.60049	0.6
271.43237	0.6
295.02139	1.0
313.01965	1.2
315.03458	0.9
319.03036	2.2
325.02570	1.7
329.05258	1.3
331.02914	4.7
333.04468	15.5
334.04803	1.0
337.03876	1.1
343.02921	5.9
345.04495	1.1
347.06137	1.4
349.03790	0.7
351.05603	8.7
355.02933	4.9
357.04712	0.6
361.03998	9.7
367.02988	0.9
369.04272	1.2
371.06009	0.6
373.03879	2.7
379.05014	2.3
381.04431	1.2
385.04163	1.4
391.05280	4.1
396.05392	0.6
403.05121	3.0
409.04495	2.4
415.04993	1.0
427.06094	7.4
430.93185	0.7
433.06097	1.6
445.07352	100.0
446.07547	3.8
463.07104	5.7
486.09009	1.2
553.05994	0.9
569.05493	4.5
569.45374	0.6
585.04761	0.8
591.03937	0.7
595.06677	0.8
597.04675	0.9
609.05090	4.8
627.06207	5.4
645.06464	1.3
651.06018	2.0
657.07086	0.9
663.05811	0.8
675.06049	1.1
676.06116	0.7
681.06946	2.1
693.07098	1.5
711.07654	1.1
729.09460	3.5
747.10535	3.7
759.09338	0.9
777.90900	0.6
849.14557	0.9
867.14813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	14.6
65.03918	1.9
67.05496	25.7
68.74389	0.9
69.03423	9.5
69.07056	12.8
71.01336	1.8
71.04971	3.3
71.32719	2.2
73.02900	10.8
75.04480	1.3
77.03944	1.0
79.05482	20.4
81.03407	6.1
81.07043	24.5
82.07380	1.3
83.04961	2.7
83.08605	7.2
85.02898	11.1
85.06544	1.4
91.03950	6.6
91.05462	17.6
92.05788	1.0
93.07030	18.1
95.04944	4.9
95.08591	19.3
96.08926	0.7
97.02879	12.8
97.06513	2.2
97.10143	4.7
101.02354	2.8
105.06330	1.3
105.07019	18.7
107.04945	1.1
107.08570	13.0
107.09238	1.1
109.02892	2.0
109.06481	2.5
109.10136	9.4
111.08079	2.0
115.05411	2.0
116.06247	0.8
117.07007	10.0
119.08553	17.2
121.10138	8.5
123.08085	2.0
123.11674	2.0
125.09617	2.2
127.03886	3.8
127.05399	0.9
128.06197	4.1
129.06996	11.7
130.07736	1.5
131.08540	12.2
133.10101	12.0
135.08020	1.7
135.11665	4.7
137.09569	1.1
141.06967	5.6
142.07756	3.0
143.08537	15.2
145.10101	14.2
146.10585	0.8
147.08131	1.3
147.11679	7.5
149.09567	1.2
149.13251	3.0
154.07663	1.3
155.08565	10.3
156.09317	1.4
157.10095	14.7
159.11690	9.9
161.13203	3.1
163.11125	0.8
167.08539	4.7
168.09387	1.3
169.08813	1.3
169.10120	12.2
170.10913	1.1
171.11649	11.2
173.13206	6.1
175.14833	1.1
177.12790	1.2
178.12923	0.9
179.08542	1.8
181.10089	6.2
182.10757	1.4
183.11668	12.6
184.12294	1.2
185.13213	7.4
187.10994	0.9
187.14799	3.4
189.16302	1.2
193.10124	2.3
195.11682	7.7
197.13208	10.9
198.13617	1.1
199.14799	6.0
201.16365	1.8
207.11584	2.3
209.13202	4.9
211.14787	6.7
213.16353	3.4
215.17867	1.8
219.11719	1.4
220.12282	0.9
221.13229	3.3
223.14778	3.5
225.16412	5.1
225.18321	1.0
227.12698	1.2
227.17943	2.8
235.14777	2.4
237.16380	2.8
239.17892	3.1
241.19493	1.9
249.16414	1.6
251.17892	2.0
253.19501	1.1
255.21059	1.0
259.20496	1.5
265.19510	2.3
275.20026	1.8
281.18802	1.0
283.20416	1.1
285.22083	0.9
289.79062	1.0
299.19641	1.1
309.22220	0.9
321.22079	1.4
325.25366	0.9
334.23788	1.8
335.23953	2.9
337.25128	1.1
339.23077	1.3
349.24225	1.6
350.23572	0.8
351.26627	1.2
365.27972	0.9
403.28244	0.8
405.30124	1.7
415.28433	1.2
417.83270	0.8
421.30658	1.0
431.31979	1.0
443.31750	1.0
457.32770	1.2
499.39615	1.0
513.35553	1.0
517.40228	5.8
535.42059	4.4
539.36798	1.6
573.41510	1.4
591.44287	5.5
607.42627	0.9
609.45044	13.7
610.46014	1.4
627.45825	1.4
661.45154	1.0
683.48523	8.8
699.47559	1.5
701.49731	100.0
702.49664	6.8
713.49786	1.2
725.49109	1.1
863.54822	21.6
864.55310	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	861.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.3
67.05479	4.2
69.03435	1.0
69.07061	1.9
71.08614	1.0
79.05483	2.6
81.03379	1.5
81.07050	6.9
83.04963	0.9
83.08576	1.5
85.10159	0.8
87.01208	0.8
90.03247	0.8
91.05489	3.5
92.05782	1.0
93.07031	3.4
95.04936	1.3
95.08593	2.5
97.06511	1.1
105.07014	2.1
107.08591	1.1
109.10191	1.2
111.08057	1.1
113.09567	0.7
119.08588	2.3
121.10091	1.0
127.82399	0.8
133.10114	1.4
145.10094	0.9
148.84447	0.8
149.09673	0.8
159.69313	0.7
170.86800	0.7
229.34296	0.8
275.20016	0.9
277.21555	2.1
295.22665	1.8
315.84656	0.8
346.83810	1.0
351.25272	1.7
352.25641	1.3
369.26385	1.7
423.77792	1.0
491.16055	0.9
551.27679	1.6
567.25323	1.1
628.46631	1.2
646.48370	1.2
664.48492	1.4
861.47742	100.0
862.47809	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	861.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.6
64.74809	0.3
67.05495	4.9
68.24483	0.3
69.03414	2.5
69.07057	3.5
69.52946	0.4
69.89177	1.7
71.01361	0.4
71.04988	0.3
73.02907	3.6
77.00902	1.3
79.05485	4.3
81.03414	1.3
81.07044	9.8
83.04966	0.7
83.08615	1.3
85.02886	4.5
90.81602	0.4
91.03940	2.4
91.05461	3.5
91.92973	0.3
93.07018	2.9
95.01939	1.0
95.04980	1.1
95.08606	2.9
97.02885	3.9
97.06542	0.9
97.10158	0.4
99.04454	0.9
99.08072	0.7
101.02390	1.1
105.07014	3.7
107.04948	0.8
107.08574	1.9
108.02029	0.3
109.02869	1.0
109.06488	2.3
109.10159	1.3
111.08077	0.5
115.42923	0.4
117.07066	1.0
119.08565	3.0
120.61990	0.3
121.06417	0.4
121.10170	1.7
123.08065	0.9
123.11710	1.5
127.03884	0.9
129.07002	0.5
131.01933	0.6
131.08582	1.0
133.03452	2.4
133.10127	2.1
133.38289	0.3
135.08018	0.5
135.11737	0.6
137.09691	0.5
143.08609	0.6
145.10141	0.9
147.11679	2.4
149.09660	0.9
149.13271	0.5
151.04568	0.8
151.11171	0.4
156.02737	0.4
157.10089	0.4
159.11746	0.7
161.13322	0.6
163.11185	0.8
165.12761	0.8
171.05075	0.4
171.11717	0.4
173.06651	0.4
175.04546	0.8
177.12753	0.4
185.04277	0.4
185.06656	1.5
187.04497	0.9
187.08249	0.6
189.05943	0.4
199.04594	0.6
201.05991	0.5
203.07628	0.7
211.04588	0.4
215.11356	0.8
217.05643	0.5
223.11766	0.4
225.13420	0.9
227.11353	0.8
239.11327	0.4
241.12900	1.0
243.08395	3.7
243.14415	4.0
257.12213	0.6
261.15555	1.6
263.11288	0.9
264.12091	0.4
275.20203	1.3
281.12405	2.0
282.13223	0.9
291.18045	0.4
295.08807	1.0
301.08951	0.7
309.19171	0.5
313.08981	0.9
315.10504	0.4
315.17975	3.4
333.19122	19.7
334.19376	0.5
338.15863	1.2
347.20755	0.5
351.20172	8.5
351.24377	0.7
352.20541	0.7
356.20618	3.3
367.25180	0.4
369.15009	0.5
374.21863	1.0
375.20163	5.9
389.22424	2.3
405.21362	0.4
407.22849	0.5
423.19681	2.1
425.21545	0.9
453.20856	0.7
477.23315	0.8
481.20505	0.9
482.20056	1.4
483.22195	0.4
487.20026	0.5
495.24686	0.4
500.21332	1.2
533.25928	0.5
551.27704	23.9
552.28918	0.5
569.27777	5.0
623.30078	1.0
733.41650	1.4
791.41547	0.5
792.41199	1.6
861.49506	100.0
862.49799	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	859.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.1
61.74446	0.4
67.05492	4.3
69.03409	2.4
69.07063	1.7
71.05002	1.6
73.02906	3.1
73.62774	0.4
79.05485	5.3
81.03431	1.8
81.07051	6.3
83.04962	0.6
83.08617	0.7
85.02878	4.0
91.03928	2.3
91.05476	3.9
92.74876	0.4
93.07041	4.4
95.05010	1.2
95.08603	2.8
97.02865	3.0
98.21487	0.8
99.04474	0.8
101.02391	1.6
105.06998	4.2
107.04995	0.7
107.08568	3.3
109.02909	0.5
109.06506	0.9
109.10171	1.5
117.07035	1.0
119.08554	2.8
121.10156	1.8
123.08125	0.7
125.09560	0.5
127.03953	1.1
129.07030	1.1
131.08580	1.0
133.10124	2.2
144.75986	0.4
145.04948	0.5
145.10126	0.8
147.11742	1.4
149.09648	0.6
157.10202	0.5
159.11705	0.7
161.13306	0.8
171.11775	0.5
172.89986	0.4
185.04260	0.8
243.08369	4.1
243.10266	0.4
301.09131	1.3
315.10654	0.7
317.20749	0.7
347.21826	4.7
373.11105	0.6
385.18524	1.0
403.24716	0.9
423.20059	0.8
431.23718	0.6
437.21994	0.6
465.21146	1.3
481.20370	3.2
520.71185	0.5
535.28687	8.7
565.29803	7.2
637.32086	1.1
775.42596	1.4
859.51685	100.0
860.52136	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02922	4.1
67.05489	6.7
69.03419	2.2
69.07075	2.8
69.54359	9.2
71.08607	1.1
73.02908	2.4
79.05475	4.8
81.03420	1.9
81.07040	9.3
83.04952	1.4
83.08632	1.3
85.02912	4.1
91.03956	1.7
91.05450	4.4
93.07040	4.4
95.04953	2.4
95.08584	4.6
97.02881	2.9
101.02363	1.8
105.06979	5.6
105.08128	1.0
107.04893	1.2
107.08595	3.7
109.06517	3.1
109.10162	2.7
117.06993	1.1
119.08599	1.6
121.06452	1.1
121.10126	2.0
122.52115	0.9
123.08041	1.1
133.10086	4.7
135.11743	1.2
143.08643	1.3
145.10130	1.0
147.11652	1.8
151.11238	1.0
157.10146	1.3
203.05286	1.1
207.45978	0.9
243.08525	3.4
275.20047	2.0
276.20663	1.3
277.21234	1.1
293.20990	4.5
294.21585	2.9
295.22461	1.3
331.18716	1.7
333.20453	3.0
351.25369	1.3
373.23959	1.0
420.98425	1.4
451.19043	1.4
531.25598	2.4
549.26709	5.5
551.28296	7.0
623.29974	1.2
644.46002	1.3
662.47150	2.1
761.40796	2.0
841.46790	10.0
859.47748	100.0
860.48254	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	859.48
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02914	4.3
65.03921	0.7
67.05491	8.7
69.03417	3.5
69.07053	4.9
70.07388	0.4
71.01328	0.4
71.04985	1.2
71.08622	0.9
71.62830	0.8
73.02917	2.8
73.93114	0.3
79.05476	6.4
80.05811	0.7
81.03406	3.0
81.07041	14.4
82.07383	1.1
83.04972	1.7
83.08607	2.7
85.02893	4.4
85.06553	0.4
91.03960	2.1
91.05470	6.6
93.07029	7.1
94.07369	0.8
95.04933	2.4
95.08590	5.0
96.08915	0.4
97.02876	4.4
97.06536	1.2
97.10162	1.4
99.04433	0.8
99.08108	1.2
101.02368	1.6
103.03956	0.5
105.07024	5.4
107.04932	1.1
107.08562	4.6
107.09106	0.4
108.08973	0.7
109.02877	0.6
109.06511	2.6
109.10145	2.1
111.08093	1.3
115.03964	0.6
117.07016	2.1
119.08567	4.2
120.08935	0.8
121.06484	1.0
121.10142	3.0
123.08047	1.1
123.11707	1.2
125.09649	1.5
127.03895	1.3
128.56451	0.4
129.07007	0.6
131.08545	1.9
133.06499	0.4
133.10126	3.4
134.10512	0.5
135.08023	0.8
135.11703	1.7
137.09618	0.4
145.10109	1.4
147.07993	0.4
147.11664	3.0
148.12045	0.4
149.09616	0.9
149.13266	1.6
151.11208	1.0
153.09201	0.4
157.10167	0.9
159.11714	1.2
161.09543	0.5
161.13269	0.5
163.11165	0.8
165.12724	0.8
177.12740	0.7
185.04243	0.5
189.11229	0.6
195.13741	0.7
223.13387	1.0
241.07031	0.4
243.08351	3.9
251.16498	0.4
269.17429	2.6
270.17862	1.0
274.27316	0.4
275.20010	3.9
276.20505	1.7
277.21719	0.4
278.22031	0.9
291.19553	1.2
293.21167	0.7
301.08954	0.7
315.10544	0.6
331.18973	1.7
333.20459	2.1
349.23639	1.9
350.24265	1.2
351.25333	1.4
352.25702	0.8
367.24780	1.4
368.25052	0.8
369.26056	0.7
387.21420	0.9
389.22934	0.5
423.19879	1.3
453.21307	0.4
481.20428	0.9
543.36823	1.4
544.36884	2.9
544.72137	0.4
546.38910	1.2
549.26691	5.0
551.28174	10.1
561.37970	1.5
562.38263	2.3
621.29413	0.4
626.45111	0.6
644.46173	1.1
727.10382	0.5
761.41180	0.6
841.46222	0.5
859.47925	100.0
860.48260	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	859.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60644	9.6
72.32893	4.1
75.49518	3.9
81.03301	4.7
85.02892	10.2
97.02847	5.8
109.02865	3.8
153.01775	7.2
172.91794	4.5
197.05797	4.3
227.03348	5.5
228.03975	6.5
231.02885	5.5
235.02428	4.7
244.03615	11.4
245.04381	14.8
255.02838	5.3
256.03745	7.5
257.04453	10.4
260.03140	12.2
261.03934	11.9
268.03592	5.7
269.04318	8.7
270.05258	5.2
271.02197	8.3
272.03055	41.5
273.03873	45.6
274.04474	10.5
276.02664	13.7
281.04419	7.7
283.02011	6.1
284.02991	16.0
285.03766	24.8
286.04562	8.8
287.01743	8.2
288.02582	25.0
289.03296	19.1
290.04111	12.4
295.94122	4.6
296.03232	6.6
297.03940	15.5
298.04645	17.8
299.05353	12.1
300.02515	17.2
301.03320	17.1
302.04208	9.1
303.04834	15.5
309.04004	7.7
311.05426	6.0
312.06421	5.7
313.03250	10.0
314.04041	13.2
318.03680	5.5
319.04584	8.7
322.04752	7.7
323.05493	5.3
325.03329	5.7
326.03983	7.7
327.04941	6.5
337.02975	5.4
338.04004	12.0
339.05026	8.2
342.03619	8.7
345.96228	4.4
350.04099	16.6
351.04797	6.0
366.03668	11.5
367.04465	6.8
395.03842	5.7
425.04636	7.8
497.04596	7.0
513.04352	5.3
523.02838	6.9
525.04431	16.1
527.07556	8.4
535.02649	4.5
543.05414	12.7
547.04889	21.3
549.05042	7.9
553.04736	11.2
555.05341	7.6
559.04431	9.7
561.06671	34.2
571.04895	13.3
573.06116	7.1
577.06049	26.3
583.04718	11.6
585.05811	6.9
587.05145	4.9
588.98975	5.0
589.06116	53.0
595.04663	8.0
597.06726	5.7
601.06085	57.7
609.05969	6.2
613.06256	34.8
615.07343	7.1
619.07104	64.3
625.05902	26.6
631.06335	6.4
637.06042	8.7
643.07147	100.0
649.05835	8.3
655.06842	34.4
656.07227	7.3
661.07965	10.0
667.06995	66.8
673.07977	21.9
679.07562	14.2
685.07983	51.6
691.09015	34.0
697.07544	12.1
703.09174	37.5
709.08087	40.1
721.09772	42.7
727.08319	14.5
733.07721	15.2
739.08813	12.9
745.09503	17.3
751.08838	18.7
757.09888	12.6
769.09631	18.2
787.10425	13.5
805.11646	10.4
823.13184	9.3
893.80847	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69953	5.2
72.52757	3.6
78.67528	4.2
81.03382	6.5
85.02881	9.4
85.61555	3.3
102.65863	4.6
109.02856	6.0
121.02855	5.9
153.01758	5.6
165.01802	7.7
177.01775	4.7
183.02908	6.4
193.01343	4.1
195.26468	5.4
203.03300	5.7
215.03339	4.3
219.02989	3.8
227.03343	4.9
229.05067	4.3
231.02742	11.4
236.14944	4.9
239.53423	3.9
241.04854	8.8
243.02711	5.7
244.03619	9.2
245.04413	12.1
247.02275	7.4
256.03397	3.9
257.04431	15.2
258.05270	4.7
259.02475	4.3
260.03165	8.3
261.03943	16.0
267.02744	4.8
269.04379	11.5
271.02444	5.6
271.05823	6.1
272.03128	16.4
273.03867	60.5
274.04526	8.7
276.02609	10.3
277.03220	8.1
281.04459	5.7
283.02478	5.2
284.03085	15.9
285.03998	27.3
287.05234	4.1
288.02454	7.5
289.03244	21.3
290.04190	7.3
295.05582	4.3
296.03101	5.7
297.03912	9.9
298.04593	6.9
299.02048	7.5
299.05365	18.2
300.02673	8.8
301.03302	11.5
303.05121	21.1
309.04016	5.9
311.05515	5.9
313.03452	9.2
313.06985	4.3
314.04099	8.0
321.03796	8.4
322.04834	4.6
323.05261	8.8
325.03336	7.6
327.04675	10.4
333.03860	7.7
335.05386	7.3
337.03345	11.1
338.04245	6.7
339.04889	10.9
345.03705	5.3
347.05234	4.3
349.03278	8.3
350.03961	12.6
351.04965	13.8
361.03098	6.2
363.04895	9.9
366.03558	7.6
368.05472	4.5
375.04907	6.1
379.04321	13.5
380.05359	10.9
381.05887	6.2
382.02780	5.6
391.04343	6.6
395.04196	7.0
396.04764	6.8
397.05658	11.2
407.03998	9.7
421.01678	4.7
431.03891	4.7
449.04852	6.8
527.05853	6.9
529.03363	4.2
543.05499	24.4
545.07074	7.6
547.04993	23.0
553.03912	11.8
555.05609	11.0
559.04852	15.4
561.06268	27.2
567.04950	8.2
571.05048	28.8
573.06158	13.0
577.05957	36.3
579.05634	6.1
583.05048	10.0
585.06537	9.8
589.06018	52.2
593.06909	5.1
595.04504	7.0
597.06439	13.3
601.05988	76.7
609.06519	6.1
611.07617	5.9
613.05890	31.8
615.07312	4.5
619.07013	53.4
625.06189	24.9
627.07623	5.1
637.05481	14.8
639.07758	6.7
643.07080	100.0
644.07019	8.6
649.05908	6.0
655.07123	35.2
661.07202	14.4
667.07098	58.4
673.08112	26.3
679.07819	14.9
685.08270	46.1
691.08075	18.3
697.08716	9.8
703.09113	45.9
709.08447	32.1
710.08459	8.1
721.09924	39.0
727.08954	14.7
733.07452	11.0
739.09918	7.4
745.09222	14.6
751.08990	9.6
757.10449	9.8
769.09296	12.2
775.11182	8.5
787.11011	12.1
805.11633	9.4
823.12952	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	4.6
71.16632	10.1
85.02863	11.5
97.02831	4.0
107.01303	4.9
109.02844	4.6
121.02866	6.7
129.28886	3.3
153.01886	3.8
164.20905	3.1
165.01837	4.3
175.27628	3.6
177.01717	5.7
183.02859	6.8
211.03879	4.0
217.04800	7.1
219.02895	6.0
227.03340	5.9
228.03981	4.2
231.02858	7.1
241.04849	5.3
243.02936	8.1
244.03632	14.3
245.04224	17.9
247.02197	5.4
248.03090	5.0
253.05109	5.2
255.02930	8.2
256.03485	7.0
257.04434	11.1
260.03027	9.9
261.03772	20.0
267.02774	3.9
269.04358	8.5
270.05127	10.2
271.02371	6.6
272.03143	26.7
273.03900	64.6
274.04681	14.0
275.01770	5.9
275.05316	3.9
276.02515	14.2
277.03491	12.0
281.04480	6.0
283.02286	5.1
284.03119	19.5
285.03931	28.7
286.04477	4.2
288.02585	11.4
289.03378	25.8
290.04205	8.4
296.03021	5.6
297.03867	13.9
298.04645	17.3
299.02240	5.4
299.05307	19.1
300.02612	19.2
301.03415	20.9
302.04166	7.0
303.04904	16.9
307.05997	4.5
310.04736	7.0
311.05322	8.2
312.06171	6.9
313.03452	11.7
313.07098	6.4
314.04117	11.0
315.04794	5.9
319.04294	9.2
322.04758	5.5
323.05362	5.4
325.03308	4.7
326.04065	7.1
327.04993	13.0
335.05179	5.6
338.04099	9.0
339.04990	7.6
349.03540	7.5
350.04120	14.4
351.05023	12.6
354.03409	4.2
355.04724	4.5
355.16885	4.5
361.03268	5.7
363.04996	6.4
366.03659	10.5
367.04312	6.4
378.03555	9.1
379.04453	9.5
380.05051	7.1
381.05786	9.0
382.03506	4.8
390.03485	4.9
391.04300	5.9
395.03745	4.9
397.05783	5.6
425.05145	6.0
515.05463	3.8
525.04681	8.9
527.06409	9.0
529.03717	8.8
537.04260	6.8
541.03467	6.0
543.05658	24.8
547.05182	24.9
553.03717	9.1
555.05334	12.6
559.04834	19.0
561.06433	40.3
569.05902	5.4
571.04810	32.0
573.06171	12.8
577.06061	41.6
579.05432	7.4
583.04950	21.9
585.06116	12.4
587.07086	7.3
589.06012	61.7
595.05499	5.8
597.06421	8.9
601.06042	89.1
607.04822	6.4
609.06055	5.7
611.07892	6.1
613.06274	30.5
615.07440	6.7
619.07092	74.3
621.05945	6.6
625.06256	32.3
627.07544	7.1
629.08514	5.3
631.06671	10.5
637.06000	12.9
639.06635	8.2
642.96704	6.1
643.07056	100.0
644.07489	10.2
649.06348	10.3
655.06995	49.2
661.07526	14.4
667.06927	62.8
673.08270	39.1
679.08539	11.0
685.08020	69.4
691.08521	28.5
697.08057	8.4
703.09106	50.0
709.08276	32.9
721.10004	43.7
727.08807	16.0
733.07526	8.7
739.09717	12.0
745.09491	15.0
751.08795	15.6
757.09937	15.6
769.10028	11.4
775.11023	9.6
787.11023	12.4
805.11255	14.3
823.13342	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	858.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	100.0
69.03427	5.0
69.07056	33.5
69.93169	7.9
69.93584	9.7
70.47755	2.7
71.04969	4.1
73.02923	3.0
78.74655	3.0
79.05478	64.6
81.03381	5.1
81.07040	78.3
83.04974	5.8
83.08594	20.5
85.06526	5.3
91.05470	73.4
93.07028	62.8
93.07598	5.6
95.04955	10.5
95.08591	50.4
97.06518	7.7
97.10159	11.0
103.05463	3.4
105.06332	5.7
105.07010	62.3
107.04911	3.3
107.08581	39.0
109.06511	8.2
109.10137	44.0
111.08043	6.3
117.07009	26.6
119.08565	51.2
121.10107	25.2
123.08059	4.9
123.11639	7.5
125.09576	4.6
128.06181	7.2
129.06990	12.4
131.08539	31.5
133.06464	3.6
133.10104	41.1
135.08098	3.6
135.11681	18.3
137.09590	3.9
141.06937	3.2
143.08533	12.4
145.10106	28.1
147.08029	4.6
147.11664	36.6
149.09616	7.8
149.13226	13.2
151.11140	3.7
155.08556	5.2
157.10097	12.4
159.11682	23.0
161.13237	22.4
163.11145	3.5
169.10121	8.2
171.11662	16.6
173.11804	6.1
173.13228	16.6
175.14812	8.5
181.10045	5.7
183.11707	8.3
184.07268	3.1
185.13205	10.5
187.14879	5.3
195.11635	6.6
195.13658	4.2
199.14865	5.0
209.13176	3.7
211.14871	5.2
225.16386	3.4
227.12749	7.4
229.14323	22.0
241.19565	24.2
250.26990	3.8
257.19012	5.7
259.20569	58.9
260.20551	3.0
261.22015	3.0
265.58646	2.8
269.17365	14.6
269.96896	3.4
275.20013	23.2
315.23041	5.2
333.24222	60.6
335.26077	4.9
347.23462	2.7
349.23727	12.5
367.24835	14.9
435.32635	4.2
453.33142	4.2
487.33807	8.3
505.35144	17.6
509.36411	4.5
513.35303	9.0
515.38544	3.6
527.37329	37.4
533.39563	5.1
545.38171	11.7
607.43488	31.6
625.44482	34.0
643.44598	5.5
688.26971	3.4
689.44324	4.1
859.47009	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	858.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.2
65.03912	2.4
67.05142	2.7
67.05496	51.4
68.05839	1.5
69.03401	3.9
69.07057	26.3
69.17023	1.2
70.05769	7.4
71.04973	5.8
71.08620	12.9
73.02915	1.6
73.06525	1.6
79.05479	43.7
79.84644	1.2
81.03387	6.3
81.07044	100.0
82.07366	1.8
83.04957	10.9
83.08605	26.3
85.02893	3.0
85.06515	4.4
85.10149	5.4
91.05464	38.0
92.05743	1.8
93.07027	40.6
95.04940	15.5
95.08595	39.0
97.02876	2.4
97.06511	13.6
97.10136	3.6
98.20714	2.0
99.08071	11.0
105.07013	38.5
106.07363	1.6
107.04945	11.7
107.08576	25.8
109.06494	25.8
109.10123	16.7
111.08069	17.6
113.09605	6.1
117.07004	9.2
119.08563	29.8
121.06465	4.1
121.10123	25.1
123.08049	6.6
123.11689	12.8
125.09608	4.3
129.06969	5.3
131.08534	16.0
133.06461	1.8
133.10107	24.9
135.08017	4.3
135.11647	11.1
137.09567	4.1
139.11198	3.1
142.07753	1.6
143.08511	3.4
145.06444	1.5
145.10092	14.3
147.07985	3.4
147.11656	29.9
149.09602	10.6
149.13229	10.9
151.11180	10.0
153.12634	2.0
157.10120	3.3
159.11636	9.1
161.09579	2.7
161.13257	8.6
163.11151	10.0
163.14763	2.8
165.12720	14.3
166.80600	1.5
169.10130	1.9
171.11681	4.8
173.13231	5.6
175.11165	5.6
177.12694	4.7
179.14226	6.5
183.11736	2.1
184.07372	1.8
185.13245	3.1
187.14836	1.9
193.12219	2.1
201.12680	1.8
207.13751	1.8
223.13248	1.7
229.19461	2.3
230.26181	1.5
239.17825	2.1
241.19586	1.7
243.08411	2.8
247.20494	4.8
257.18924	5.4
259.20441	4.0
267.15726	2.5
275.20023	71.6
276.20386	2.5
277.21616	43.5
277.24609	2.6
278.21970	1.9
292.19891	2.3
293.21069	15.8
294.21475	1.6
295.22626	13.5
344.22070	3.0
349.23672	61.4
349.27966	2.9
350.23724	3.2
351.25217	46.3
352.25595	1.9
359.74698	1.6
367.24756	58.7
368.25076	4.1
369.26291	72.7
370.26575	2.5
461.32684	2.2
549.26471	1.8
561.37415	2.2
571.41461	1.5
625.44495	59.3
626.44611	4.3
643.45569	68.6
644.45795	4.2
661.46661	72.9
662.46771	2.4
696.47797	2.0
777.02985	1.6
858.45087	2.1
859.32483	1.9
859.47668	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	3.2
65.03923	3.8
67.05492	66.2
69.03423	7.8
69.07055	28.2
69.85390	1.0
71.04991	5.1
71.08617	12.5
71.25246	2.8
73.02882	1.9
73.79929	0.9
77.13607	1.0
79.05015	2.2
79.05478	45.7
81.03402	12.7
81.07040	100.0
82.07361	1.7
83.04967	12.3
83.08602	21.5
85.02891	5.4
85.06552	5.3
85.07019	1.1
85.10154	2.3
87.04452	1.5
91.03907	1.9
91.05460	41.1
93.07026	53.0
94.07316	1.9
95.04385	1.6
95.04948	14.8
95.08585	34.8
97.02877	6.0
97.06507	12.9
97.10143	7.7
99.04440	2.1
99.08078	11.7
105.04480	1.1
105.07005	36.5
107.04938	9.0
107.08575	32.5
109.06504	15.6
109.10130	15.7
109.90851	1.1
111.04421	1.9
111.08058	9.1
113.06036	1.0
113.09641	2.6
117.06995	15.4
119.08556	29.7
121.06514	5.3
121.10114	19.4
123.08048	6.3
123.11683	8.1
125.09609	5.9
127.03928	2.4
129.05463	1.7
129.06958	5.4
131.08534	16.4
133.06438	1.5
133.10095	24.3
134.10414	1.3
135.08022	4.7
135.11668	13.5
137.09583	4.1
139.11131	1.4
142.07794	1.3
143.08502	3.0
145.06494	2.3
145.10080	11.1
147.11649	19.7
149.09586	9.8
149.13210	11.9
151.11169	10.3
153.12698	1.8
155.08505	2.1
157.10150	7.0
159.08025	1.4
159.11676	11.7
161.09631	2.2
161.13219	9.4
163.11162	11.4
163.14725	1.3
165.12706	9.0
168.57005	1.0
169.10074	1.8
171.11649	6.0
173.04469	1.3
173.11818	2.0
173.13240	5.9
175.11075	2.8
175.14819	2.9
177.12698	4.9
179.14282	6.7
183.11647	2.8
184.07318	1.9
185.13174	2.4
187.11163	2.2
187.14705	1.1
189.11153	4.0
189.12703	2.0
193.12274	2.5
195.13737	5.5
197.13202	2.5
199.14793	1.5
201.12639	1.7
207.13828	1.9
217.15877	1.6
221.15324	1.3
227.12721	5.8
227.19994	3.0
228.20352	2.0
229.14267	1.9
229.19434	2.5
235.16878	1.3
239.17946	2.6
241.19583	1.4
243.08531	1.5
245.13899	1.2
247.20592	3.5
249.22163	1.3
253.17982	3.5
255.15852	2.9
257.19031	6.1
259.20474	4.8
265.52060	1.2
267.15866	3.0
269.17444	25.9
270.17801	1.6
273.18396	1.8
275.19998	46.6
275.23029	2.4
277.21555	23.6
292.19833	1.5
293.20993	9.5
295.22549	4.7
333.24146	1.1
335.25687	2.1
349.23694	27.2
351.25241	32.4
356.61279	1.1
367.24731	20.1
369.26263	8.5
413.21710	1.8
463.30392	4.2
465.31677	1.2
503.34131	1.3
519.32996	2.5
521.34674	2.1
527.37244	2.4
531.36475	3.0
533.01019	1.1
537.33936	1.6
543.36707	28.1
545.38324	12.6
549.26373	1.2
549.37262	1.3
551.28076	1.4
561.37708	20.9
563.39252	6.9
625.44507	17.3
643.45526	20.3
644.45807	1.9
661.45782	2.1
728.30286	1.2
858.45734	2.7
859.47748	35.3
871.18604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
62.75593	0.9
65.03926	1.5
67.05499	15.5
69.03424	21.7
69.07053	0.9
69.44152	5.5
69.44579	4.4
70.06573	1.6
71.04971	7.8
73.02894	2.1
79.05463	3.0
81.03412	5.7
81.07043	6.5
83.04957	1.9
85.02893	45.4
85.06541	7.9
87.04445	4.6
91.03925	2.8
91.05457	3.5
93.07021	2.9
95.04955	31.5
95.08575	2.6
97.02876	14.5
97.06520	7.6
99.04430	2.8
105.06991	4.2
107.04938	0.8
107.08573	3.4
109.02849	5.1
109.06487	1.5
109.10126	2.1
111.04427	1.3
113.05991	100.0
114.06323	1.1
117.07006	1.2
119.08557	3.4
120.08063	0.9
121.06409	1.1
121.10123	2.9
123.08089	1.0
125.05965	3.4
127.03883	12.9
131.08519	2.1
133.10112	2.4
135.04346	1.0
135.08087	1.6
135.11795	1.0
137.05936	2.3
143.08513	1.2
145.04942	19.7
145.08577	15.7
145.10085	1.9
147.07956	1.1
147.11711	1.4
153.05482	4.5
155.06999	3.4
159.06184	0.9
159.08022	1.0
159.11674	3.6
161.13278	1.3
163.05980	6.0
163.07381	1.6
167.07019	2.4
175.14836	2.5
183.11580	1.0
189.07545	2.1
189.16451	1.6
201.16341	2.1
215.10516	0.9
215.17712	1.1
220.10529	1.0
223.98117	0.8
237.82098	0.9
239.09099	1.6
257.10272	4.8
275.11133	2.2
319.20673	1.4
325.11346	5.2
337.21558	6.8
355.22665	15.7
373.23688	66.0
374.23962	2.5
388.92596	1.0
414.26224	2.9
479.29153	1.0
506.17123	0.9
517.31641	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	857.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.2
69.03425	0.2
69.07028	0.4
70.06565	0.7
72.08126	0.3
81.03352	0.2
85.02888	0.3
86.09682	0.4
94.06535	0.4
98.06005	0.2
101.03772	0.2
101.88930	0.2
108.04464	3.2
108.08090	0.4
116.67931	0.1
120.04484	0.2
120.08044	0.2
122.06010	0.9
136.07555	1.0
138.05461	0.6
138.09082	0.3
140.07048	1.3
146.05988	1.7
147.04286	0.2
147.06779	0.2
148.03885	0.3
148.07515	0.9
150.05446	0.6
164.07062	0.6
166.04965	0.5
166.08659	0.3
168.06554	3.6
172.03831	0.2
173.07100	0.2
174.05479	0.8
181.08900	0.4
196.07454	0.2
196.11209	0.4
197.10721	0.4
199.08598	0.5
204.06517	0.7
206.08099	1.2
209.08430	0.2
209.68948	0.2
211.08633	4.6
211.12111	0.8
212.09258	1.3
213.10124	1.0
213.13849	0.3
214.10849	0.3
221.10747	0.7
222.09154	1.1
222.11224	0.3
223.08539	0.9
223.12280	0.6
224.07397	0.2
224.11034	1.4
225.10173	4.6
226.08716	0.3
226.10802	1.1
227.08116	0.9
227.11684	0.4
228.08835	0.3
229.09575	0.2
236.09370	0.2
237.10204	0.5
238.10890	0.5
239.08131	0.8
239.11757	7.6
240.08643	0.8
240.12393	0.5
241.04918	0.2
241.09627	2.3
241.13344	0.9
242.10382	0.6
249.10255	1.0
250.08618	1.2
250.10767	0.2
251.08008	1.2
251.11624	0.4
252.09029	1.2
253.09666	5.0
254.10480	0.9
255.11195	0.6
256.12033	0.6
257.12808	0.7
259.14432	0.4
265.09723	0.3
266.10275	0.2
267.07886	0.5
267.11243	11.8
268.09158	0.3
268.11783	1.0
269.04547	0.2
269.09906	0.3
269.12784	1.9
277.09769	0.3
278.08182	0.3
280.08447	0.3
281.09317	0.8
283.10657	0.4
284.11423	0.6
285.03903	1.9
285.12271	1.5
287.13702	0.5
294.09515	0.2
295.10715	5.8
295.14023	0.3
296.08868	0.4
297.12314	1.1
299.10239	0.3
301.11734	0.3
303.13382	0.5
305.14871	2.1
311.05417	0.6
313.11783	34.2
314.12198	1.6
315.04837	0.5
315.13339	0.4
323.10220	1.4
339.04877	0.6
339.09616	0.2
341.11264	13.6
342.12042	1.0
351.04843	0.2
355.12790	1.8
359.12338	5.3
369.05960	0.6
373.13885	100.0
374.14209	4.9
375.15436	0.6
381.05841	0.4
389.13486	0.3
390.13837	0.2
391.13477	0.3
399.07483	0.2
417.08008	0.3
535.19659	0.3
589.31012	0.2
601.26306	0.2
617.25745	0.2
627.24500	0.8
636.62823	0.2
641.25488	0.3
645.25305	1.9
659.26849	1.6
677.28076	1.2
807.31531	0.2
821.31531	0.5
887.89246	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	857.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03378	0.2
69.07021	0.5
70.06572	1.2
71.40443	0.1
71.44582	0.1
71.69809	0.2
72.08120	0.4
74.06059	0.2
74.95303	0.2
84.08113	0.4
85.02874	0.2
86.09657	0.5
94.06541	0.2
95.04933	0.3
105.08333	0.1
108.04448	1.5
110.06030	0.2
120.04453	0.2
120.08049	0.3
121.02922	0.2
122.05997	0.5
123.04431	0.3
129.10132	0.2
135.09105	0.1
136.07527	0.4
138.05452	0.8
138.09125	0.3
140.07021	1.2
146.05978	0.8
147.06714	0.2
147.47340	0.2
148.03934	0.2
148.07544	0.5
150.05554	0.3
166.05028	1.1
166.06129	0.2
168.06534	2.3
172.03850	0.2
174.05489	0.4
174.09077	0.2
181.08745	0.2
194.09540	0.3
196.07715	0.1
196.09784	0.2
198.09135	0.3
199.08578	0.3
204.06535	0.6
206.08105	0.9
210.09250	0.2
211.08615	3.8
211.12228	0.6
212.07390	0.2
212.09131	0.9
213.10248	1.0
221.10675	1.0
222.09177	1.1
223.08463	0.3
223.12273	0.4
224.10986	1.4
225.10173	4.2
226.08636	0.3
226.10918	0.8
227.08022	0.2
227.11641	0.3
237.10152	0.3
238.10857	0.3
239.08040	0.7
239.11743	6.8
240.09016	0.5
240.12315	0.7
241.09688	1.3
241.13332	0.8
242.10472	0.2
249.10155	0.9
250.08595	1.1
250.10808	0.2
251.07928	0.9
251.11797	0.4
252.09021	1.3
253.09665	5.3
254.10312	0.9
255.11200	0.3
256.11963	0.4
257.12820	0.5
265.09741	0.2
266.10376	0.2
267.11230	11.4
268.09360	0.3
268.11862	0.6
269.09927	0.3
269.12717	1.6
273.03909	0.3
277.09622	0.3
278.08099	0.3
280.08270	0.4
281.09045	0.5
283.10641	0.2
284.11444	0.6
285.03931	0.7
285.12326	1.1
287.13834	0.2
295.10709	5.8
295.14069	0.4
296.11514	0.2
297.12265	0.7
299.10284	0.2
301.11835	0.3
303.04999	0.3
305.14911	0.4
310.04990	0.2
313.11755	34.6
314.12091	2.1
315.13144	0.3
323.10294	0.9
327.13281	0.4
341.11252	8.9
342.11655	0.4
355.12756	1.1
359.12262	3.6
369.06119	0.2
373.13858	100.0
374.14188	5.1
375.15479	0.3
510.18372	0.2
645.25385	0.9
659.26697	0.5
677.27905	0.6
719.10077	0.2
749.80920	0.2
821.30792	0.2
839.14319	0.2
857.15082	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	856.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90116	0.8
61.02904	1.3
64.90598	0.7
65.03915	2.7
67.05492	49.3
69.03402	3.2
69.06687	1.5
69.07056	27.2
69.90072	5.5
70.87582	0.7
71.04989	4.5
71.08589	1.0
73.02888	1.1
77.23251	0.7
79.05476	45.1
80.05815	1.0
81.03411	7.0
81.07038	89.3
82.07350	1.5
83.04974	8.1
83.08602	33.5
85.02894	1.7
85.06514	4.3
91.05460	44.1
93.07025	42.7
95.04951	21.3
95.08586	38.0
97.02840	2.3
97.06516	12.1
97.10149	5.0
99.08056	4.2
103.05406	0.9
105.04516	1.0
105.07008	43.5
106.07394	0.9
107.04238	1.2
107.04932	15.3
107.08572	30.2
109.06491	23.0
109.10133	19.1
111.04395	1.5
111.08068	7.2
113.05984	1.1
113.09566	0.9
115.05429	1.5
117.06990	17.3
119.08559	36.7
119.09411	1.9
121.06486	7.8
121.09254	1.1
121.10118	21.8
123.08056	8.0
123.11678	8.2
125.09597	4.8
127.07524	1.0
129.06964	5.9
130.07710	1.2
131.08540	22.1
133.06479	2.1
133.10104	28.8
135.08029	8.5
135.11662	10.9
137.09589	6.7
137.13226	1.2
139.11115	1.4
141.06918	2.0
142.07788	1.0
143.08505	5.7
145.06439	2.4
145.10098	22.8
147.07988	3.3
147.11655	23.3
149.09589	22.7
149.13234	8.3
151.11151	7.4
153.09058	1.1
155.08545	3.7
157.10071	6.9
159.07985	1.0
159.11656	15.1
161.09612	3.1
161.13225	5.6
163.11159	22.2
163.14786	2.8
164.76218	0.9
165.12729	7.2
169.10101	4.8
171.11659	3.7
173.09570	3.4
173.13242	7.7
175.11148	4.1
175.14786	1.9
177.12708	4.5
179.14305	1.4
183.11665	3.7
184.12410	0.9
185.13205	1.3
187.11156	3.4
187.14757	2.8
189.11185	1.5
189.12726	1.5
191.10620	1.5
191.14265	2.1
193.12225	2.4
197.11647	0.9
197.13264	4.2
199.14812	1.0
201.12715	2.2
201.16370	0.9
205.12218	2.2
207.13663	1.1
213.16341	2.1
215.14449	0.8
215.17952	2.0
219.13763	1.1
219.17397	0.8
223.13223	2.0
227.12607	1.2
229.19472	4.4
233.15323	1.5
233.19003	1.2
237.14740	1.0
239.17976	6.3
247.20596	5.8
257.18985	11.9
259.20694	0.9
267.15857	2.0
269.17401	1.4
273.18585	1.7
275.20010	100.0
276.20364	3.3
291.19458	4.3
293.21066	21.4
331.22662	1.7
349.23660	85.9
350.24020	2.3
352.46524	0.8
365.23300	2.4
367.24728	84.6
368.24908	1.5
513.35657	1.1
515.32874	1.1
549.39349	0.9
559.36292	1.6
561.37463	2.2
567.40680	2.0
623.42896	36.0
624.43011	1.2
641.43994	46.3
642.43738	1.9
659.45056	40.2
660.45642	1.8
845.89069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46799	0.3
61.02902	0.5
67.05144	0.4
67.05493	7.5
69.03422	2.5
69.07059	7.1
70.06579	0.4
71.04965	0.9
71.08592	0.4
79.05482	4.4
81.03396	1.3
81.07047	9.4
83.04977	0.5
83.08604	4.2
85.02895	5.8
85.06517	0.7
91.05473	2.9
93.07030	3.5
95.04921	0.4
95.08004	0.5
95.08591	8.6
97.02879	2.0
97.06506	1.0
97.10161	3.7
98.20656	0.6
99.04428	0.4
99.08061	0.6
103.03927	0.3
105.07032	2.4
107.01283	0.3
107.08571	2.3
107.89553	0.3
109.02839	0.9
109.06483	0.3
109.10128	3.4
111.08073	0.6
111.11711	1.5
113.09646	0.4
117.06976	0.4
117.94417	0.3
119.08549	2.2
121.02831	0.4
121.10120	2.9
123.11653	1.0
125.09619	0.7
125.13235	0.4
127.03883	2.2
133.10094	2.6
135.11668	2.8
137.09567	0.5
137.13222	0.8
139.11093	0.4
145.04901	0.5
145.06483	0.3
147.11635	1.4
149.13211	0.6
151.11165	0.7
151.14793	0.5
153.01826	0.6
153.12782	0.7
155.04881	1.0
161.13232	1.2
165.12668	0.4
171.13800	0.6
175.14815	0.6
179.14235	0.7
183.04416	1.3
187.03867	0.5
201.05450	1.3
208.23723	0.3
211.03850	6.2
217.19489	2.8
219.02864	0.7
221.06055	0.4
225.05479	1.1
229.04921	4.7
235.20528	4.3
239.03288	0.9
243.02818	0.7
243.06718	0.3
245.04468	0.4
253.04965	0.6
253.21605	6.2
256.03693	1.0
257.04410	52.8
258.04706	1.3
260.03192	2.1
261.03909	8.9
263.01938	0.6
267.02841	3.2
271.05923	3.4
271.22690	0.6
273.03897	28.3
274.04608	3.5
275.05423	0.5
277.05023	0.3
281.04333	0.9
284.03131	0.5
285.03894	100.0
286.04248	3.5
287.01785	0.9
287.05457	1.8
289.03223	0.4
295.05978	1.1
297.03848	3.7
299.01837	0.9
299.05396	10.9
303.04944	78.6
304.05203	2.3
311.05478	1.2
313.07034	1.4
315.04913	1.1
323.05368	1.5
325.03494	0.7
327.04935	14.4
328.05310	0.4
339.04898	4.0
341.06638	0.7
345.05832	0.6
351.04950	2.7
352.05240	0.4
357.05911	2.7
369.06000	7.5
370.18890	0.3
387.07022	6.7
397.25803	0.6
405.08124	9.7
406.08310	0.5
415.26883	2.7
423.09042	1.7
429.08133	0.6
447.09198	1.6
465.10428	0.4
537.24976	0.8
555.25830	19.5
556.26093	1.3
573.26691	2.7
639.27307	0.5
657.29022	2.9
675.29987	19.0
676.30133	1.2
693.30957	6.8
694.31238	0.6
717.30475	0.7
837.33862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33374	1.1
60.62206	1.1
61.02889	1.4
65.03928	4.0
67.05495	71.6
69.03412	4.3
69.07061	28.9
70.29514	3.1
70.29912	1.9
71.04971	24.8
79.05481	72.9
81.03419	6.5
81.07041	99.1
82.07403	1.1
83.04971	7.0
83.08602	15.2
85.02893	1.6
85.06532	5.0
91.05465	81.7
92.05785	1.3
93.07030	70.0
95.04955	14.2
95.08589	47.3
95.60230	1.0
97.02862	1.7
97.06521	10.9
97.10143	4.5
99.08067	4.4
103.05440	2.9
105.04517	2.4
105.07014	79.0
107.04935	10.5
107.08571	36.5
109.06501	18.7
109.10134	16.1
111.04424	12.5
111.08086	5.9
113.09621	4.2
115.05424	2.7
117.07001	25.9
119.08563	61.8
120.08886	1.3
120.94506	1.3
121.06472	8.1
121.10128	26.1
123.08047	9.5
123.11679	5.7
125.05991	1.5
125.09602	3.7
128.06201	1.4
129.06981	15.0
131.08546	33.4
133.10104	42.9
135.08054	6.3
135.11671	16.1
137.09573	7.0
137.13255	1.1
139.11169	3.4
141.06976	3.1
141.76172	1.1
142.07750	2.0
143.08525	15.1
145.06479	2.0
145.10107	31.1
147.08020	3.4
147.11664	36.2
148.12045	1.2
149.09599	11.7
149.13249	12.3
151.11165	3.7
151.92267	1.0
155.08554	4.6
157.10109	11.4
159.08052	1.9
159.11678	22.2
161.09650	3.0
161.13248	17.0
163.11185	8.2
163.14812	4.1
165.12740	4.1
167.08511	1.5
169.10080	6.1
171.11670	14.2
173.09598	2.3
173.13217	12.8
175.11183	3.7
175.14830	8.4
177.12691	3.5
179.14403	1.4
181.10120	3.1
183.11681	4.9
185.13217	9.2
187.11154	2.0
187.14818	3.9
189.12729	1.9
189.16367	1.5
191.14215	1.7
197.13228	4.3
199.14822	4.6
201.12773	2.5
201.16400	2.4
203.84842	1.2
205.12202	1.2
209.13324	2.3
211.14859	2.0
213.16333	1.4
215.14392	1.7
215.17838	2.2
217.15764	2.7
225.16194	1.7
227.17622	1.5
229.19466	3.5
231.21082	3.0
237.16472	1.5
239.18039	3.6
241.19487	17.3
242.19780	1.3
243.21198	1.5
243.58658	1.2
247.20560	2.8
257.18930	8.3
259.20517	41.1
259.23273	2.4
267.15936	2.7
271.20441	1.5
275.20013	39.3
276.20419	1.8
277.21509	2.6
279.23096	1.3
289.21649	2.0
293.21188	2.3
297.22159	1.9
307.22681	23.5
315.23151	10.0
315.74390	1.1
331.22366	2.2
333.24194	100.0
334.24466	3.0
349.23676	11.9
351.25449	1.9
363.25769	1.3
381.26315	46.2
382.26532	2.0
409.25995	1.5
495.29068	1.3
497.37292	1.7
501.35455	3.1
513.35590	1.9
515.38446	5.8
524.11621	1.1
527.37018	2.6
533.40295	8.4
551.40967	7.4
597.44244	1.5
607.43488	35.2
608.43549	1.7
625.44476	33.0
626.44525	1.4
639.46124	27.7
640.46570	2.0
657.46729	3.2
742.57983	1.3
793.49371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83540	0.7
61.02898	1.3
65.03922	2.5
67.05493	53.1
68.05821	0.9
69.03419	11.2
69.07057	34.3
69.99127	3.4
71.01338	0.9
71.04993	4.3
72.31609	0.7
73.02898	1.0
77.03903	0.8
79.05481	48.9
81.03410	11.2
81.07043	59.7
83.04964	9.6
83.08606	15.4
85.02903	3.4
85.06517	2.9
91.05466	40.0
93.07030	43.5
94.04149	1.0
95.01312	1.2
95.04948	15.5
95.08001	1.5
95.08592	26.0
97.02864	8.5
97.06511	11.7
97.10156	12.1
98.20839	0.9
99.04404	1.0
99.08070	2.4
103.05450	1.9
105.03376	0.9
105.04524	1.1
105.07011	32.8
107.04955	10.0
107.08575	29.2
109.02856	2.5
109.06509	7.3
109.10139	16.9
111.04411	2.0
111.08054	5.0
113.05956	0.9
115.05398	1.6
117.06996	15.4
119.04921	1.9
119.08566	20.5
120.08926	1.1
121.06504	5.6
121.10117	13.1
123.04410	1.5
123.08041	5.8
123.11686	5.1
125.06011	0.7
125.09602	11.1
127.03891	2.5
128.06194	1.6
129.05458	1.1
129.06978	6.6
130.07762	1.6
131.07651	1.4
131.08549	17.2
131.09451	1.4
133.06500	4.0
133.10103	23.8
134.07219	1.0
135.08020	6.7
135.11670	10.1
137.09573	3.2
139.11101	1.2
141.06931	1.7
142.07738	1.4
143.08508	3.7
144.09236	0.8
145.06458	1.4
145.10100	13.5
146.07222	0.9
147.08026	6.7
147.11659	7.9
149.09595	9.5
149.13237	8.6
151.11154	4.8
155.08517	2.2
156.09293	0.8
157.06432	0.8
157.10106	5.6
159.08025	1.6
159.11671	11.0
161.09633	3.9
161.13251	3.5
162.10353	0.9
163.11165	7.0
165.09064	1.8
169.10086	2.4
169.12157	1.6
171.10223	1.4
171.11644	4.3
173.04448	1.2
173.09578	1.7
173.13234	2.8
175.11168	3.2
177.12659	5.2
179.14308	1.9
181.10115	0.7
181.12146	1.5
183.11670	2.3
185.09584	0.9
185.13197	1.0
187.11052	1.2
187.14766	1.6
189.11195	6.0
189.12712	1.0
193.12236	1.4
195.11945	1.4
195.13760	5.5
195.80630	0.8
199.14853	1.0
205.12186	2.2
211.14859	0.8
213.14790	1.5
223.13249	15.3
227.12701	10.1
227.17889	1.4
229.19525	1.5
233.15410	0.7
239.17947	1.1
245.19014	2.3
247.20450	1.5
249.14851	3.9
253.14252	8.6
255.15613	5.6
257.18979	5.5
263.20181	1.4
267.15958	2.2
268.71075	0.8
269.17444	23.9
269.20346	1.3
273.18451	18.6
275.20007	20.0
283.15482	1.0
289.18082	0.7
291.19492	100.0
292.19803	2.0
293.21146	1.3
309.20499	1.7
331.22473	1.2
347.22336	3.8
349.23654	13.1
365.23169	41.5
366.23373	1.0
367.24805	3.2
406.24753	0.7
413.21902	1.0
419.23895	1.0
442.45636	0.8
447.27765	0.9
461.28714	1.6
479.30191	1.0
541.35535	3.6
545.34589	13.9
559.36194	54.5
560.36200	2.3
575.88342	0.8
621.41229	1.7
639.42535	13.7
657.43079	4.4
703.40863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	1.6
62.23861	1.1
65.03928	2.4
67.05495	56.5
69.03417	12.1
69.07056	42.7
69.45858	10.7
71.04966	3.6
79.05480	48.5
79.14065	1.1
81.03402	10.6
81.07044	58.9
83.04974	8.7
83.08599	17.8
85.02884	2.4
85.06519	4.1
87.04443	1.0
91.05467	41.3
93.07028	42.0
95.04951	14.8
95.08590	23.3
96.47775	1.1
97.02878	9.4
97.06522	13.5
97.10159	15.4
99.04445	1.5
99.08082	2.6
103.05468	1.3
105.04449	1.4
105.07012	33.3
107.04937	14.2
107.08579	33.3
109.02842	2.4
109.06496	10.5
109.10144	16.3
111.04389	1.2
111.08070	4.7
115.05411	1.3
116.06285	1.4
117.06987	15.3
119.04897	1.3
119.08558	22.4
121.06494	6.2
121.10118	15.0
123.04410	1.5
123.08060	6.0
123.11664	2.7
125.09622	13.5
127.03921	1.7
127.07565	1.5
128.06195	1.4
129.06964	6.6
130.07805	1.3
130.98433	1.0
131.08545	21.1
133.06523	4.7
133.10101	18.7
134.07211	1.7
135.08044	6.3
135.11671	8.4
137.09605	2.8
141.06992	2.1
142.07730	1.1
143.08537	5.6
145.06430	1.3
145.10075	12.3
147.08046	6.0
147.11667	10.1
149.09589	12.4
149.13202	6.6
151.11122	3.4
153.09088	1.8
155.08505	2.0
155.81317	0.9
157.10109	6.2
159.08072	1.7
159.11684	9.3
161.09589	4.9
161.13246	2.6
163.11154	7.6
163.14655	1.1
165.09102	1.8
165.12671	1.9
169.10106	1.9
169.12274	1.2
171.10208	1.2
171.11652	2.9
173.09549	1.8
173.13243	3.4
175.11171	5.1
177.12682	3.1
179.14328	1.6
181.10126	1.1
182.84016	1.0
183.11702	1.7
185.09531	1.2
185.13210	2.3
187.11111	1.6
187.14890	1.4
189.11185	7.0
189.12682	1.6
193.12166	1.7
195.13780	2.4
197.13336	2.0
199.11269	1.1
205.12221	2.9
211.13091	1.3
223.13251	14.4
227.12721	10.4
227.17943	1.7
229.19383	1.8
239.17918	1.6
245.18941	3.5
247.20523	2.1
249.14799	3.5
253.14230	5.9
255.15904	4.3
257.18900	6.1
263.20230	1.3
267.15903	3.4
269.17468	12.2
273.18484	18.4
275.19998	25.5
291.19501	100.0
292.19821	2.7
293.20963	4.7
309.20444	1.8
331.22665	1.7
347.22067	3.7
347.75629	1.0
349.23712	19.8
350.33051	1.1
365.23172	43.3
367.24683	9.1
415.08975	1.2
461.28656	1.7
541.35016	2.9
543.36761	1.6
545.34796	10.1
559.36237	33.7
560.36548	1.7
594.95129	1.2
621.41675	2.4
639.42444	26.8
640.42322	1.7
657.43506	11.1
658.44379	1.3
696.85962	1.2
783.45044	1.1
852.97876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.0
65.03926	2.9
67.05492	58.7
69.03417	4.9
69.07056	23.1
71.04990	5.6
71.08602	1.2
72.93169	0.6
79.05479	45.1
81.03401	7.6
81.07042	100.0
82.07360	1.0
83.04966	10.2
83.08610	12.1
85.02875	1.5
85.06528	6.9
91.05464	55.4
92.05818	1.2
93.07028	43.6
95.01315	0.9
95.04949	15.3
95.08589	29.1
95.09201	1.5
97.02872	1.8
97.06515	10.4
97.10140	3.0
99.04468	2.0
99.08088	2.3
103.05464	1.9
105.07010	56.0
107.04942	12.5
107.07815	0.9
107.08033	0.5
107.08572	34.6
109.06499	21.7
109.10136	43.4
111.04412	1.7
111.08056	5.0
113.00011	0.8
113.05988	1.4
115.05449	1.6
117.06989	10.2
119.08559	25.2
121.06484	11.0
121.10128	13.8
123.04407	1.1
123.08038	7.1
123.11693	11.9
125.05981	0.8
125.09603	1.8
127.07531	2.4
128.06219	1.8
129.06976	4.9
130.07785	0.9
131.08548	17.5
133.06468	5.2
133.10106	61.0
135.08031	10.8
135.11652	7.8
137.05989	0.9
137.09607	3.9
141.07043	0.9
142.07779	1.3
143.08534	6.1
145.06512	2.1
145.10095	10.8
147.07993	4.3
147.11662	14.4
149.09584	10.0
149.13245	5.3
151.11150	26.1
153.12689	1.0
155.08560	1.7
157.10132	5.7
159.08026	2.6
159.11662	6.7
161.09581	5.0
161.13220	4.4
163.11137	7.1
163.14838	2.2
165.09109	0.8
165.12750	5.6
169.02629	2.8
169.10114	3.0
169.12204	5.5
171.11688	4.6
173.09596	2.2
173.13211	3.4
175.11166	5.5
176.16182	0.8
177.09126	2.2
177.12732	2.7
179.10677	1.9
179.14278	1.2
183.11673	1.8
185.13266	2.7
187.11148	1.8
187.14857	1.6
189.12772	2.6
191.14267	1.7
193.12280	2.3
195.13791	0.8
197.13216	1.2
199.14845	1.1
201.12747	1.1
205.12158	0.7
207.13821	1.1
215.12714	4.7
227.17938	0.9
229.19453	2.7
233.15631	0.7
233.18944	0.8
239.18013	2.3
245.18964	3.9
247.20471	3.5
251.12846	2.1
253.14305	69.2
254.14676	1.7
255.17451	2.6
257.19080	4.1
263.20050	1.9
265.21719	0.8
267.15918	1.2
271.15222	3.8
273.18445	22.8
275.20016	48.7
276.20416	1.5
291.19504	20.9
293.21042	12.1
309.20447	0.9
347.22137	9.5
349.23679	17.4
365.23166	35.9
367.24722	28.2
367.29251	1.5
368.25281	1.1
453.30179	0.9
471.30902	1.1
527.33807	1.0
543.32794	1.0
545.34619	29.7
546.34955	1.5
559.36432	1.0
563.35663	9.9
579.14893	0.8
621.41669	4.5
639.42456	20.8
640.42523	1.1
657.43469	32.3
658.43994	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	852.509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06482	1.7
65.03917	2.2
67.05490	58.1
69.03420	10.6
69.07056	32.2
71.04974	4.2
74.66414	1.2
79.05478	38.6
81.03408	10.2
81.07040	58.4
83.04951	11.4
83.08614	12.0
85.02871	2.2
85.06515	4.1
91.05463	50.2
93.06442	2.0
93.07024	37.6
95.04956	19.0
95.08589	23.8
97.02864	6.1
97.06499	6.3
97.10152	12.9
98.20737	3.7
98.64059	1.5
99.04446	2.2
105.07007	42.4
105.07713	2.1
107.04944	11.3
107.08575	30.6
109.06480	7.3
109.10139	37.9
111.04440	2.6
111.08092	3.4
112.99987	3.1
115.05473	2.3
117.06968	12.0
119.04913	2.4
119.08550	18.7
121.06467	11.0
121.10126	8.5
123.08115	7.2
123.11662	6.9
125.09609	6.3
128.06209	3.4
129.06976	6.4
130.07709	2.3
131.08537	18.2
133.06445	6.7
133.10103	44.1
135.08014	8.0
135.11639	5.2
137.09634	4.7
143.08524	7.0
145.10139	10.4
147.08034	8.6
147.11655	5.8
147.62970	1.4
149.09563	5.1
149.13243	1.9
151.11145	20.3
155.08589	1.7
157.10106	4.9
159.11725	3.6
161.09633	5.9
161.13188	2.5
163.11157	3.6
169.02551	3.8
169.12213	4.7
171.11555	3.3
173.09610	1.9
175.11223	4.4
177.12682	1.8
185.13309	2.8
189.11224	2.4
189.12759	2.3
193.12239	2.2
195.13713	1.7
205.12189	2.0
223.13226	14.9
227.12741	4.3
227.17888	1.8
231.17424	1.7
245.18979	4.6
249.14766	5.3
253.14297	78.3
255.17271	2.1
263.20227	1.9
273.18448	32.5
274.18631	2.5
275.20001	2.1
291.19492	100.0
292.19916	2.1
347.21973	8.5
349.23874	1.7
354.41287	1.7
365.23163	43.6
543.32971	2.3
559.32819	3.1
561.34235	18.9
562.33948	2.2
637.40643	5.6
655.42059	22.6
656.27405	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	1.1
65.03924	3.6
67.05492	59.1
69.03416	11.1
69.07054	44.2
79.05478	54.6
81.03402	8.3
81.07037	100.0
82.07378	1.2
83.04960	11.4
83.08605	18.0
85.02875	3.0
85.06523	4.4
91.05463	49.4
93.07024	45.5
95.01279	1.3
95.04958	17.9
95.07998	2.2
95.08588	33.8
97.02882	8.9
97.06514	12.6
97.10149	11.5
99.04431	2.3
99.08073	4.9
103.05472	2.1
105.04514	1.2
105.07008	46.8
105.07716	2.3
107.04938	16.8
107.08572	33.4
109.02870	1.2
109.06496	24.9
109.10128	24.5
111.04395	1.6
111.08064	7.1
113.09585	1.5
115.05448	2.0
117.06989	15.4
119.04932	1.9
119.06039	1.0
119.08549	29.9
119.09398	1.7
121.06492	6.6
121.10125	17.0
123.04363	0.9
123.08050	12.9
123.11655	6.9
123.94182	1.0
125.09591	12.5
128.06171	1.9
128.34251	1.0
129.06967	6.8
130.07724	1.9
131.08539	19.8
132.05640	1.2
133.06480	5.2
133.10098	31.7
135.08015	7.1
135.11639	10.0
137.09564	5.4
139.11165	1.4
139.80577	1.0
141.06987	1.5
143.08549	6.3
145.06480	3.2
145.10098	16.9
147.08029	8.1
147.10591	1.4
147.11661	18.1
149.09584	12.0
149.13200	8.6
151.11166	10.3
153.09154	1.5
155.08542	2.5
156.09370	1.0
157.10109	9.0
159.07997	1.5
159.11688	13.0
161.09573	4.7
161.13176	5.4
163.11150	8.7
163.14743	2.0
165.12746	4.0
169.10100	1.8
169.12201	2.4
171.11653	5.1
173.09569	2.2
173.13202	5.7
175.11157	6.5
177.12738	3.4
179.14183	1.1
181.10083	1.5
183.11665	3.1
185.13251	3.8
187.11066	1.9
187.14789	1.8
189.11174	3.3
189.12712	1.6
191.14246	1.8
193.12195	2.8
195.13760	2.4
197.13361	1.3
203.10683	1.2
203.14293	1.5
205.12231	2.3
205.15869	1.3
210.31613	1.2
211.13281	2.0
213.12776	1.4
223.13226	17.2
227.12779	5.7
227.17953	1.6
229.19487	3.1
239.17894	2.7
245.18958	2.9
247.20561	3.7
249.14818	3.0
253.14310	20.5
257.18967	9.5
263.20163	1.6
267.15848	3.3
269.17441	3.1
273.18433	24.2
274.18652	1.1
275.20010	64.8
276.20282	2.4
283.15405	1.2
291.19476	99.8
292.19678	2.5
293.21069	9.2
304.07922	1.4
331.22589	1.9
332.35364	1.1
347.21960	6.3
349.23651	34.6
350.23965	2.5
365.23154	68.9
366.23492	3.8
367.24759	37.6
368.25101	1.3
519.33014	2.8
541.35052	2.7
545.34509	4.8
559.36359	9.4
577.37042	2.6
621.40936	4.0
639.42419	64.0
640.42926	5.9
657.43488	49.0
658.43292	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	852.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.1
67.05495	18.7
67.23441	0.3
69.03417	7.0
69.07057	21.4
69.38494	4.1
71.04974	1.1
79.05482	17.2
79.71795	0.3
81.03399	3.6
81.07043	15.2
83.04971	2.7
83.08607	6.6
85.02879	1.2
85.06513	0.7
91.05466	13.5
93.06429	0.7
93.07028	12.6
94.04177	0.5
94.07355	0.5
95.01315	0.8
95.04948	6.6
95.08591	7.0
95.69897	0.4
97.02320	0.6
97.02880	7.4
97.06528	3.2
97.10155	9.0
98.20726	0.7
103.05405	0.5
105.03363	0.5
105.04508	0.7
105.06327	0.7
105.07009	10.0
107.04932	6.1
107.08582	9.8
108.05724	0.5
109.02842	0.7
109.06498	2.5
109.10126	5.9
111.08047	1.7
112.99998	0.4
115.05436	0.6
117.07000	5.2
119.04908	1.4
119.08562	10.2
120.05706	0.4
121.06491	3.1
121.10141	3.7
121.61700	0.4
123.04344	0.6
123.08048	2.2
123.11665	0.7
125.09621	7.6
126.09998	0.4
127.03947	0.4
128.06172	0.7
129.07002	2.8
130.07739	0.9
131.04907	0.4
131.08545	5.5
133.06461	2.6
133.10110	4.4
134.07222	1.2
135.08038	3.3
135.11656	1.7
137.09563	1.5
141.07005	0.5
143.08551	2.8
145.06421	0.7
145.10107	5.3
147.08040	5.1
147.11658	2.5
149.09592	2.0
149.13223	1.8
151.11140	0.7
153.09160	0.7
157.10109	2.4
159.08009	0.7
159.11723	2.0
161.09593	3.0
161.13200	0.7
162.10361	1.0
163.11171	2.1
165.09090	1.5
165.12685	0.4
169.02487	0.5
169.10060	0.6
169.12195	1.0
171.10185	0.4
171.11632	1.1
173.09581	0.6
173.13292	0.5
175.11209	2.1
177.09129	0.4
177.12755	1.7
181.10022	0.4
183.11703	0.6
185.13266	0.7
187.11087	0.6
189.11226	3.7
193.12254	0.9
195.11691	0.5
195.13800	1.1
205.12268	2.0
211.13242	0.4
217.12141	0.4
223.13251	14.6
224.13548	0.5
227.12746	4.7
227.17958	0.5
245.19014	1.5
249.14885	3.1
255.17377	1.1
261.14789	0.4
262.15680	0.5
263.20169	0.8
267.15869	0.9
272.06396	0.4
273.18451	14.7
274.18817	0.6
275.20010	1.4
283.15408	0.7
289.17761	0.9
291.19495	100.0
292.19772	3.4
309.20474	0.6
347.22049	2.8
349.23547	0.6
363.21713	0.7
365.23178	44.7
366.23486	2.7
400.59308	0.4
535.32324	1.0
557.34656	1.8
573.34528	0.6
575.35425	1.1
587.35815	0.8
637.40948	3.1
655.41956	42.6
656.42505	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	852.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54838	0.4
61.02913	0.7
65.03925	0.7
67.05493	18.8
69.03417	8.3
69.07055	23.0
71.04976	1.4
79.05479	18.1
81.03399	4.3
81.07040	16.9
83.04962	3.5
83.08597	6.9
85.02879	1.3
90.87625	0.4
91.05461	13.8
93.07027	12.6
94.04176	0.5
94.07352	0.5
95.01318	1.0
95.04959	6.2
95.08589	7.7
97.02879	8.1
97.06519	3.5
97.10152	9.0
98.20644	0.8
99.08060	0.8
103.05402	0.7
105.07008	9.6
107.04934	6.4
107.08572	10.6
109.02840	0.8
109.06496	2.3
109.10128	6.7
111.04408	1.1
111.08035	1.8
117.07001	6.1
119.04903	1.4
119.08566	8.4
120.05696	0.5
121.06478	3.0
121.10136	3.8
123.04408	0.7
123.08051	3.2
123.11653	0.5
125.09607	7.6
127.03888	0.4
128.06227	0.7
129.06993	3.1
130.07713	0.8
131.08539	6.5
133.06450	3.2
133.10104	4.7
134.07220	1.1
135.08025	3.1
135.11632	2.0
137.09608	2.1
137.10507	0.4
141.06879	0.4
142.07742	0.7
143.08539	2.6
145.06436	0.9
145.10092	5.0
147.08008	4.8
147.11633	2.9
149.09596	1.7
149.13210	1.5
151.11101	0.6
153.09050	1.0
157.10112	2.2
159.08009	0.4
159.11703	2.4
161.09586	2.6
161.13268	0.6
162.10315	0.9
163.11142	1.6
165.09071	1.1
167.08546	0.5
169.02614	0.7
169.10089	0.7
169.12178	0.5
171.08125	0.5
171.10210	0.9
171.11627	1.7
173.09596	0.6
173.13156	0.4
175.11165	2.5
177.12708	1.6
179.10683	0.7
181.12215	0.4
185.09514	0.4
185.13170	0.7
187.11209	0.9
187.14874	0.5
189.11185	3.9
189.12682	0.8
193.12186	1.2
195.11609	0.4
195.13786	1.1
204.90129	0.4
205.12192	1.6
211.13266	0.6
221.11589	0.5
223.13254	16.0
227.12729	5.7
227.17818	0.5
233.15298	0.5
245.18956	1.2
249.14845	2.7
249.18605	0.5
255.17412	1.3
263.16248	0.5
263.20026	1.0
267.15851	0.8
273.18460	14.5
274.18506	0.5
275.19913	1.0
289.17801	0.6
291.19485	100.0
292.19818	4.5
309.20544	0.8
347.22171	2.1
363.21671	0.6
365.23169	43.1
366.23611	1.5
380.98804	0.5
410.14990	0.4
430.87918	0.4
535.32831	0.6
557.34454	1.5
575.35742	1.0
587.35876	0.5
637.40851	2.1
655.41949	38.2
656.42572	3.2
722.92401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	4.0
65.03910	1.5
67.05496	18.8
69.03412	5.8
69.07043	4.2
70.02941	2.0
70.06568	3.8
70.74570	2.1
70.74921	4.5
71.04967	3.0
73.02891	2.5
75.04427	1.5
76.02211	24.3
76.03989	1.7
79.05479	27.2
81.03403	100.0
81.07039	33.1
82.03742	1.5
83.04964	5.3
83.08607	31.2
84.04490	6.2
85.02870	6.5
86.09667	1.8
91.05464	26.2
93.07034	14.9
95.04952	36.2
95.08590	20.4
97.02866	7.9
97.06522	3.5
97.10153	6.0
100.02174	1.5
101.26123	1.4
103.05442	1.5
105.07015	17.5
107.04951	13.9
107.08562	12.1
109.02868	2.5
109.06490	5.4
109.10136	3.8
111.04416	5.0
111.08051	11.6
115.05443	2.4
116.01656	6.3
117.07008	4.2
119.04881	1.5
119.08547	18.3
121.02859	2.8
121.06467	6.8
121.10125	8.8
123.04408	3.3
123.08035	12.7
124.05177	1.7
125.09617	5.6
127.03867	2.4
129.07024	12.8
130.04956	4.7
131.08549	13.2
133.06454	6.1
133.10110	9.2
135.08014	3.5
137.05962	5.1
137.09590	3.4
139.55240	1.4
140.91719	1.4
141.06938	1.5
141.08994	2.0
142.03125	3.7
142.07759	3.0
143.08551	4.2
144.01079	4.6
145.06186	5.9
145.10107	4.7
147.08023	7.5
147.11656	10.3
149.05873	2.8
149.09584	8.9
151.03804	2.8
151.07475	4.8
157.10095	15.7
159.08128	2.0
159.11685	1.9
161.05898	2.6
161.09601	4.2
162.02161	12.7
163.11130	3.4
165.09085	1.7
165.12718	2.0
167.06987	8.0
170.02625	1.7
171.11719	3.1
175.11163	15.9
177.03229	4.4
179.04829	25.7
183.10156	2.4
187.05336	2.0
189.11264	2.6
193.12215	85.9
194.12431	1.9
207.06389	1.6
209.08075	4.7
211.13216	7.8
223.13235	1.7
225.11197	3.2
227.12854	4.1
233.05885	6.9
235.13135	2.8
243.12221	5.0
245.08058	2.7
245.13808	2.3
255.17410	3.3
267.15869	65.9
268.16306	2.5
273.18460	13.3
283.15219	2.2
285.03940	3.5
285.16931	80.6
286.17435	2.7
291.19476	9.4
308.09058	49.5
309.16983	16.2
319.99649	1.9
347.22092	16.1
351.17657	2.1
363.17880	4.0
365.23163	52.7
366.23636	2.9
389.23102	3.0
393.18747	3.7
411.19760	2.0
429.21097	2.5
486.99393	1.6
527.28589	11.0
543.26025	3.6
690.31281	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	848.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	3.4
61.02648	1.2
61.02919	11.7
65.03909	2.7
67.05492	100.0
69.03412	3.9
69.07045	6.9
69.14803	0.9
71.04982	3.7
73.02902	3.2
79.05478	23.6
81.03408	2.2
81.07043	42.3
83.04967	1.5
83.08601	8.6
85.02893	14.6
85.06544	2.8
87.04485	0.9
91.03944	10.4
91.05463	16.1
93.07025	27.7
95.04946	2.1
95.08592	26.4
97.02881	7.9
97.06509	2.6
97.10169	1.7
99.04425	0.8
99.08074	1.8
105.07011	7.8
105.94593	0.8
107.08572	17.1
109.06517	1.2
109.10137	72.0
111.08063	3.1
117.07006	3.5
119.08566	11.5
121.10127	14.1
123.11700	4.7
125.09597	1.6
127.03917	3.9
131.08554	6.5
133.10109	5.3
135.11676	8.8
137.09618	4.3
145.04938	4.4
145.10085	5.4
147.11655	3.6
149.13211	5.2
151.14778	0.8
155.10605	4.3
159.11659	4.5
161.13229	3.8
163.05930	4.4
163.14824	3.1
173.11743	22.1
173.13261	4.2
175.14787	1.8
177.16307	1.2
187.14841	2.5
189.11156	1.8
189.16333	1.0
207.97375	0.8
227.12697	5.3
229.14307	92.1
230.14670	1.7
243.21138	4.8
245.01303	0.9
261.22101	20.0
279.22931	1.2
285.21887	1.0
307.77820	0.8
317.24741	3.8
335.25732	76.2
336.26175	1.8
337.80951	0.9
379.29974	1.2
397.30905	1.2
413.94498	1.0
471.34509	2.6
489.35687	78.6
490.35904	3.2
507.36566	6.1
561.74481	0.9
700.09515	1.0
848.50751	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	848.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.8
61.02918	10.9
65.03919	2.2
67.05497	91.4
69.03405	2.6
69.07055	9.8
71.04975	2.9
71.71430	1.2
71.71769	0.9
73.02914	4.5
78.65247	0.7
79.05485	19.4
81.03396	2.6
81.07047	39.8
82.07327	1.0
83.04964	1.1
83.08600	8.6
85.02895	12.8
85.06523	3.2
91.03948	8.5
91.05465	14.5
92.61861	0.8
93.07032	24.1
95.04932	2.1
95.08594	26.0
97.02879	6.6
97.06511	0.9
97.10155	3.0
99.08053	0.9
100.78279	0.7
105.07012	6.4
107.08575	13.9
109.06516	1.9
109.10143	70.7
111.08052	3.0
117.06998	2.8
119.08568	12.0
120.08966	0.9
121.10123	12.1
123.08078	0.9
123.11658	4.5
125.09615	1.4
126.71174	0.8
127.03918	2.4
131.08554	6.1
133.10126	5.5
135.11650	8.9
137.09592	3.4
137.13248	0.8
145.05008	3.6
145.10100	4.3
146.48503	0.7
147.11653	3.9
149.13252	5.0
155.10640	3.3
159.11670	4.1
161.13217	2.7
163.05994	4.3
163.14798	3.0
173.11754	17.7
173.13243	4.3
175.14798	1.2
177.16432	0.9
187.14792	2.1
189.11169	1.7
227.12737	6.5
229.14323	100.0
230.14743	1.2
233.22546	1.1
243.21077	5.6
261.22104	22.3
317.24677	4.1
335.25763	86.1
336.26102	2.3
379.29822	1.0
397.30786	1.4
415.31998	1.0
471.34464	2.6
485.76279	0.9
489.35706	77.7
490.36035	3.2
507.36938	7.0
848.51050	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.3
67.05497	7.9
69.03418	4.2
69.07061	2.7
71.04959	0.8
71.43089	0.5
73.02912	5.0
79.05484	5.8
81.03406	3.1
81.07047	9.1
83.04974	0.9
83.08622	1.0
85.02890	5.7
86.09682	0.6
91.03936	3.5
91.05466	3.7
93.07030	5.7
95.04952	1.6
95.08596	5.8
97.02887	5.6
97.06518	1.8
98.20705	1.1
99.04445	1.4
101.02350	2.8
103.03892	0.8
105.07016	2.2
107.08577	3.3
109.02836	0.8
109.10155	2.4
112.99998	1.2
117.06999	1.1
119.08575	1.4
121.10133	1.6
127.03889	0.9
131.08568	1.2
133.10129	1.2
135.11684	1.6
137.05690	0.7
145.10085	0.9
147.11661	0.8
149.13263	0.7
159.11723	0.7
169.02606	1.3
235.83104	0.6
243.08482	2.2
275.20044	0.6
337.27393	1.1
338.27560	0.7
349.19809	11.5
349.23633	0.9
359.27850	0.6
492.37875	0.6
519.29205	5.9
535.29205	0.7
567.27734	2.4
693.55548	0.6
815.66937	0.8
845.50000	100.0
846.50580	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	845.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.4
65.03930	0.4
67.05491	4.3
68.07501	0.3
68.40114	0.3
69.03413	2.4
69.07050	3.4
71.01360	0.6
71.04972	0.5
71.08628	0.3
71.16109	0.9
71.22739	0.4
73.02900	3.3
73.26227	0.3
75.73266	0.3
79.05473	4.7
80.48695	0.3
81.03430	1.5
81.07041	6.5
83.04962	0.4
83.08607	1.7
85.02873	3.9
91.03933	2.9
91.05454	4.5
93.07021	4.5
95.04972	1.0
95.08589	3.3
97.02878	4.0
97.06519	0.8
97.10165	1.0
99.04438	0.8
101.02348	1.9
105.07020	3.5
107.04981	0.6
107.08570	2.7
109.02856	0.8
109.06545	0.6
109.10149	1.2
111.08082	0.3
112.99975	1.6
115.03934	0.6
117.07039	0.6
119.08587	2.5
121.06463	0.5
121.10088	1.8
123.11729	0.7
127.03905	1.3
129.05516	0.5
129.06992	0.5
131.08534	1.1
133.10107	2.0
135.11688	1.2
143.08470	0.5
145.10094	0.9
147.11662	2.0
149.09679	0.6
149.13223	0.9
157.10068	0.5
159.11737	0.9
161.13286	0.8
163.11195	0.5
165.12816	0.4
169.02647	1.9
173.13257	0.4
185.04247	0.9
201.03717	0.4
203.05292	0.5
243.08348	3.8
259.20456	0.8
275.19931	0.4
301.09076	1.4
311.25775	4.2
313.08966	0.6
315.10562	0.8
333.20325	4.9
334.20801	0.3
371.16782	0.5
373.11139	0.6
383.17010	0.5
389.22971	0.4
423.19711	1.6
429.17331	0.4
431.23795	0.6
465.21310	0.8
469.20593	0.4
481.20361	0.6
483.22107	0.7
535.28607	7.6
551.28149	7.7
552.27936	0.5
623.30750	1.5
717.41998	0.5
845.50018	100.0
846.50348	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	845.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55726	0.5
61.02923	4.2
62.67743	0.7
67.05498	5.0
69.03400	3.0
69.07066	2.4
71.04982	0.7
71.61599	0.9
73.02920	3.3
76.02927	0.5
79.05468	5.1
81.03430	1.3
81.07047	4.9
82.78730	0.5
83.04965	1.1
83.08617	1.1
85.02899	6.0
85.06565	0.6
86.09693	0.6
91.03951	3.3
91.05477	5.3
93.07025	6.5
95.04974	1.7
95.08614	2.8
97.02885	3.6
97.10188	1.0
99.04446	1.0
99.08089	0.6
101.02384	2.1
105.07041	4.5
107.08599	2.8
109.06512	1.0
109.10185	1.1
111.08083	1.1
115.04048	0.6
117.07021	1.6
119.08588	2.3
121.10159	2.5
123.08106	0.9
127.03902	1.2
129.05505	0.7
131.08575	1.8
133.10155	2.4
135.04163	0.6
135.11711	1.7
143.08586	1.0
145.10133	0.9
147.11678	1.3
151.41289	0.6
157.10139	0.6
159.11688	1.0
161.13361	0.6
163.11150	0.8
171.92535	0.6
172.56064	0.6
184.07367	2.2
185.04216	0.9
185.07782	0.7
202.03157	0.5
241.14952	0.6
243.08392	3.7
278.21255	0.6
301.09061	1.3
310.20596	0.6
333.20401	2.9
372.26111	0.6
373.23395	0.7
385.18069	0.7
389.23001	0.6
431.24237	0.7
465.21201	1.8
535.28638	8.5
536.29169	0.9
551.28174	7.8
623.31079	1.2
676.04974	0.6
845.50055	100.0
846.50342	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	845.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55915	1.0
67.05496	3.2
69.07063	2.1
69.45604	10.0
79.05493	2.1
81.01666	0.9
81.07055	3.7
83.08618	2.9
85.97827	0.9
88.30582	0.9
89.78564	0.9
91.05466	1.5
93.07053	2.6
95.07245	0.9
95.08628	1.3
104.23276	0.8
107.08583	1.1
109.10153	0.9
113.00027	1.6
120.18755	0.8
125.89309	1.0
131.08464	0.9
131.28722	0.9
142.36865	1.2
151.94246	0.9
167.30043	0.9
169.02667	2.5
307.66684	0.9
311.25903	2.7
530.38495	1.0
551.26190	2.2
569.26703	1.0
624.49249	1.2
780.55505	1.1
845.48145	100.0
846.48309	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89396	0.5
62.39896	0.4
67.05496	5.1
69.03396	0.5
69.07053	26.4
71.08253	0.5
71.08617	7.3
71.71227	0.4
71.71614	0.7
77.74319	0.5
79.05489	3.2
81.07030	5.9
83.04951	0.7
83.08602	22.6
85.02876	0.8
85.10172	2.4
87.59324	0.4
91.05460	1.2
93.07034	4.4
95.08584	5.2
97.06521	3.0
97.10152	15.8
102.55916	0.5
105.07019	0.6
107.04877	0.5
107.08565	2.6
109.10123	2.0
111.08046	1.3
111.11711	4.0
112.99995	49.7
119.08559	0.5
121.10133	3.7
123.11675	0.6
125.09550	0.8
125.13247	1.0
127.03802	0.5
134.42325	0.4
135.11670	2.8
139.11172	0.7
149.13232	1.5
150.58711	0.4
163.14763	0.7
169.02582	44.2
170.02856	0.7
184.07294	0.5
187.03635	4.1
219.21161	1.1
237.22113	4.7
252.06673	0.5
297.78665	0.5
311.25742	100.0
312.26074	5.6
405.24002	6.5
490.50812	0.5
535.29315	0.5
635.69781	0.6
745.90796	0.5
845.49579	8.7
846.49207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.6
69.03426	3.1
70.63602	9.9
75.21356	2.4
81.03394	6.6
85.02892	8.6
89.38264	2.1
91.61549	2.6
97.02863	2.6
103.03945	4.2
109.02891	2.3
119.01899	3.0
121.02800	6.0
124.51254	2.3
161.02945	3.6
163.15129	2.5
165.01875	5.5
173.02888	3.0
177.01784	2.8
183.02806	4.6
183.11774	2.2
185.02911	3.5
195.02881	3.3
203.03728	2.7
208.03625	2.7
217.05000	9.0
227.03438	8.7
228.04141	5.6
239.03314	2.9
241.04977	6.2
242.05864	3.5
243.02885	7.7
244.03596	15.6
245.04651	30.7
245.99033	2.4
246.05298	6.4
247.04919	4.9
253.04962	4.2
255.02957	7.2
256.03549	14.2
257.04401	13.8
258.05106	2.5
259.02515	2.8
260.03204	3.9
261.03864	7.0
265.05264	2.7
267.03040	4.3
269.04477	11.2
270.05261	10.6
271.05951	6.0
272.03128	40.8
273.03900	63.5
274.04614	16.2
275.05475	7.7
281.04410	5.6
283.02429	5.8
283.05957	4.7
284.03146	36.9
284.06406	4.9
285.03903	32.4
293.04346	3.3
294.05109	6.6
296.03149	7.9
297.01071	2.7
297.03796	14.0
298.04648	32.9
299.05472	17.9
302.04138	18.2
303.04987	12.8
309.04144	3.3
310.04602	7.6
311.05582	7.4
312.06277	7.0
321.03937	6.5
322.04626	7.3
323.05536	6.5
324.52835	2.9
325.03464	6.5
326.04218	12.6
335.05551	6.3
338.04092	11.5
339.05035	11.8
349.03104	3.5
350.03992	18.3
351.04959	10.4
363.05075	5.0
365.09363	3.1
366.03647	3.8
366.48807	3.0
368.05139	8.0
379.04459	5.6
380.05264	5.0
381.06067	6.1
391.04434	7.4
403.04318	2.8
409.05811	4.2
414.84686	4.3
445.05209	6.1
457.05435	3.1
471.07178	2.9
493.05591	4.3
499.11615	3.8
500.11667	5.4
500.84634	14.0
501.11786	14.3
509.04968	15.2
511.06287	7.1
519.03503	4.1
521.04938	4.2
525.04993	3.7
527.06140	22.6
529.05927	2.8
531.05426	6.9
533.04840	5.4
535.06561	3.2
537.04474	14.8
539.05829	6.7
543.05603	11.9
545.07056	44.6
546.06372	3.0
551.05963	6.0
555.05536	40.2
556.06366	4.5
557.06250	5.5
561.06842	12.4
563.05908	4.5
567.05548	13.6
569.07037	13.8
571.06256	3.6
573.06647	62.6
575.05933	3.3
577.07483	3.9
579.05573	5.5
581.07074	14.0
585.06525	66.0
591.05579	5.2
593.07098	5.0
595.08276	10.6
597.06659	33.4
599.07806	8.0
603.07568	66.4
604.07544	4.2
605.06799	6.9
609.06543	26.5
611.07922	7.0
613.09607	3.5
621.06610	17.5
623.07990	7.6
626.97601	5.3
627.07605	100.0
628.08051	3.5
633.06476	12.4
639.07495	38.4
651.07513	62.4
657.08600	35.7
663.07990	9.8
669.08569	59.3
675.09058	29.5
681.08374	10.0
686.98651	2.1
687.09583	47.9
693.08466	28.1
699.08032	3.4
705.10400	61.5
706.10742	3.0
711.09869	20.3
717.08215	11.1
723.09906	15.1
729.10840	18.5
735.09576	13.8
741.11023	13.7
753.10474	13.5
759.11218	10.1
771.11389	15.7
789.12146	17.2
807.13812	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	843.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.6
63.56275	2.3
64.30473	2.1
68.99792	2.9
70.94388	5.0
70.94726	2.8
81.03416	4.1
85.02897	9.9
89.79035	2.0
90.20938	2.3
97.02876	4.0
101.80185	1.8
103.03953	2.5
107.01289	2.4
109.02856	3.7
111.03445	2.3
121.02843	7.3
141.01834	2.5
151.04050	2.2
153.01799	2.5
163.03821	2.3
165.01845	8.6
177.01799	5.4
183.02930	4.3
187.04008	1.9
189.01836	5.2
191.03351	4.8
199.03868	2.7
201.05417	2.2
203.03371	4.5
207.02965	2.7
211.03842	5.3
215.03397	3.0
216.04132	2.9
217.04967	9.1
218.05400	2.6
219.02817	4.1
219.14001	2.1
227.03197	10.1
228.04085	7.8
229.04869	5.3
231.02855	6.7
239.03438	4.3
241.04948	7.8
242.05656	5.7
243.02765	3.4
244.03566	16.8
245.04402	26.8
246.05270	6.1
253.04944	3.5
255.02832	12.2
256.03595	20.7
256.06253	2.3
256.07089	1.8
257.04398	24.9
258.05112	2.7
260.03174	5.8
261.03909	7.4
263.01703	2.6
265.04956	3.4
267.02887	4.7
268.03577	6.5
269.04437	14.1
270.05179	14.5
271.05896	8.1
272.03125	40.8
273.03885	80.4
274.04614	18.5
275.05450	5.5
281.04468	6.0
282.05283	6.9
283.02277	7.2
283.05624	2.8
284.03149	37.8
284.06317	4.7
285.03873	42.7
285.06870	3.5
286.04556	2.6
293.04431	4.1
294.05167	7.1
295.05908	4.8
296.03094	9.0
297.03845	17.8
298.04657	28.2
299.05405	25.3
302.04187	12.3
303.04843	19.1
305.04388	2.8
307.05887	4.4
308.03116	4.1
309.03775	5.0
310.04721	10.2
311.02039	2.2
311.05423	7.4
312.06384	6.8
313.03323	2.1
313.06949	5.7
321.03882	6.7
322.04581	10.9
323.05466	9.2
324.06155	3.0
325.03503	4.6
326.04117	9.4
327.04782	5.2
333.04037	3.1
335.05356	11.0
338.04254	10.8
339.04855	5.7
345.03900	4.8
349.03265	5.6
350.04068	14.0
351.05035	12.8
361.03329	5.3
362.04346	2.8
363.05020	8.0
364.05499	3.3
366.03665	4.7
367.04239	2.9
368.05106	6.8
369.05774	2.8
373.03287	2.6
379.04459	9.5
380.05038	16.4
381.06033	9.8
387.04971	4.7
390.03351	3.7
391.04404	9.3
404.05222	3.2
404.33316	2.5
409.05328	4.2
421.01294	2.7
435.03058	2.5
443.08255	2.2
445.05893	2.2
457.05490	5.4
465.06021	2.3
481.05353	5.3
493.05902	3.2
497.04550	3.7
499.06363	2.7
505.05515	3.4
509.04898	10.0
511.06421	3.7
521.04950	5.1
523.06958	2.7
525.04535	3.7
527.05981	32.0
531.05420	5.1
535.06360	3.2
537.04431	21.1
539.05908	8.2
543.05499	11.6
545.07086	49.8
546.06842	3.7
547.06744	2.8
551.05707	8.9
553.07318	3.8
555.05420	42.6
556.05573	3.7
557.06818	5.6
559.06378	3.0
561.06573	10.7
563.05609	3.4
567.05481	20.2
569.06622	11.2
571.06525	2.6
573.06500	75.7
574.06580	6.6
575.05896	2.9
577.07239	3.5
579.05505	7.3
581.06793	15.2
583.07245	2.9
585.06561	79.2
586.06506	4.6
591.05646	3.3
593.06805	7.3
595.08380	8.7
597.06348	30.6
599.08118	11.7
603.07581	71.7
604.07385	5.3
605.07080	3.8
609.06335	35.4
610.07410	2.8
611.07269	6.5
613.08661	4.3
615.07538	4.4
621.06348	21.5
622.07135	2.9
623.07892	6.9
627.07568	100.0
628.07806	9.3
633.06873	10.5
639.07574	52.0
640.07727	3.9
645.07928	4.6
651.07532	55.9
652.06555	3.5
657.08765	41.5
663.08496	10.0
669.08612	68.4
670.08594	6.6
675.09186	30.1
681.08270	14.2
687.09692	58.0
688.09509	5.9
693.08588	30.0
705.10492	60.1
706.10638	6.8
711.09326	24.0
717.09497	10.2
723.10327	20.5
729.10638	23.4
735.09839	13.2
741.10730	17.9
753.10852	14.4
759.11658	11.0
771.11493	16.6
789.12787	16.5
807.13861	11.5
825.15155	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	843.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31213	1.1
68.99804	1.1
70.01180	3.9
70.01587	2.3
73.02903	1.4
81.03394	3.0
85.02877	5.1
92.99744	1.5
97.02856	2.2
103.03956	2.3
107.01305	2.0
109.02866	3.3
121.02818	3.5
123.04359	1.0
146.65120	1.0
153.01788	1.5
169.02771	1.1
171.04407	1.7
175.03807	1.3
177.01808	1.2
183.03011	1.1
187.03889	1.4
197.06001	1.6
199.03899	1.8
200.04689	1.7
201.05397	1.9
203.03351	2.2
204.04140	4.2
208.03593	1.1
211.03891	2.4
213.05431	3.7
214.06306	1.9
215.03348	5.7
216.04153	4.2
217.04906	6.2
218.05725	3.7
219.02919	2.9
225.05440	3.3
226.06104	1.1
227.03355	6.0
228.04106	9.3
229.04984	4.3
231.02798	6.1
232.03624	5.0
237.05487	2.0
238.06165	2.1
239.03308	3.0
240.04134	1.1
241.04947	10.9
242.02055	1.6
242.05655	5.6
243.02855	17.1
244.03644	32.1
244.06161	2.0
245.04399	29.7
246.05130	5.7
252.04036	1.2
253.04901	8.1
254.05554	1.7
255.02902	6.4
255.06454	2.6
256.03622	16.6
257.04379	28.8
257.06927	1.7
258.05176	6.3
259.02338	10.5
259.05865	1.5
260.03146	12.0
261.03931	8.1
262.00992	2.4
263.02011	1.6
265.04785	2.4
266.05743	3.1
267.02899	2.1
268.03653	7.0
269.04388	16.8
270.01883	1.8
270.05139	18.6
271.02328	13.2
271.05899	5.1
272.03104	98.7
273.03867	100.0
274.04611	27.2
275.05350	1.6
276.02496	1.4
280.03650	1.8
281.04416	9.4
282.05136	7.2
283.02310	4.7
283.05954	4.9
284.03131	31.9
284.06653	4.0
285.03897	27.7
285.07184	1.4
286.01144	1.1
286.04611	3.6
287.01877	2.8
287.05511	5.8
288.02603	3.6
289.03354	29.8
290.04123	17.1
293.04303	4.5
294.05051	6.7
295.02673	1.2
295.05905	4.1
295.82175	1.0
296.03131	6.6
297.03906	17.9
297.07178	1.5
298.01276	1.9
298.04614	35.6
299.01785	5.9
299.05411	14.4
300.02603	11.5
301.03320	4.3
302.04135	44.6
303.04889	26.3
306.05240	1.7
308.03180	1.2
309.03934	5.4
310.04642	8.9
311.05469	5.4
312.02798	2.3
312.06241	10.3
313.03363	9.8
313.06976	4.0
313.10526	1.2
314.04242	6.1
321.03900	4.8
322.04620	8.5
323.05484	4.9
324.02386	1.9
325.03412	6.6
326.04117	21.6
327.04889	10.7
328.05573	1.5
334.04556	1.8
335.05267	2.1
337.03238	2.1
338.04141	19.2
339.04794	8.2
340.05634	3.7
341.02899	1.5
342.03671	1.9
349.03311	3.5
350.04120	17.4
351.04971	5.9
353.06555	1.8
366.03699	3.1
367.04428	1.6
368.05154	11.9
369.05942	4.8
386.06168	3.0
431.57822	1.3
527.06018	3.3
531.05273	4.2
543.05182	4.7
545.07031	9.6
555.05487	8.5
557.07806	1.2
561.06354	8.0
567.05951	1.2
569.06720	2.8
573.06488	51.0
574.06781	3.0
581.06976	3.1
585.06470	16.3
593.06744	2.0
595.08569	2.1
597.06555	14.7
599.07629	4.1
603.07550	47.8
604.07690	2.8
609.06580	8.7
611.07721	1.9
615.07825	2.4
621.06372	4.6
623.07898	2.8
625.05896	1.1
627.07574	46.6
628.07819	4.0
633.06396	2.5
639.07507	17.0
645.07904	1.7
651.07440	23.7
652.07825	1.4
657.08630	23.8
658.08850	2.3
663.08850	5.5
669.08661	30.3
670.08521	1.6
675.09412	15.1
676.09760	1.6
681.08392	3.9
687.09668	28.6
688.09717	2.9
693.08832	15.3
705.10657	33.9
706.10730	2.8
711.09778	6.8
717.08276	4.3
723.10547	8.5
729.10437	7.9
735.09949	5.6
741.10150	3.4
753.10474	5.9
759.11121	3.6
771.11548	7.2
789.12494	7.4
807.14355	6.7
825.14484	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	843.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35693	1.7
69.03425	2.3
71.40267	4.1
77.88857	1.9
81.03414	3.0
85.02892	5.8
93.90216	1.8
97.02848	2.0
98.77928	1.8
103.03923	4.6
109.02856	3.2
110.70379	1.8
121.02850	3.7
124.48261	1.7
153.01923	2.2
178.54971	1.8
198.42075	1.8
203.03387	2.2
208.38992	2.1
211.03905	3.0
216.04105	2.9
217.04956	7.4
227.03406	5.7
228.04169	6.3
229.04921	4.0
231.02898	4.0
241.04944	5.5
242.05598	5.2
243.02750	4.4
244.03636	19.7
245.04405	16.9
246.05075	4.8
255.02855	10.8
256.03522	11.8
257.04385	11.6
259.02536	2.6
260.03125	7.0
261.03854	3.2
262.01135	2.5
266.05817	2.8
267.02905	5.1
269.04434	13.1
270.05191	11.5
271.02188	3.5
272.03134	55.2
273.03891	53.6
273.06894	2.2
274.04688	21.6
275.05481	11.7
281.04398	3.2
282.05231	2.3
283.02286	6.8
283.05740	2.5
284.03152	44.2
284.06363	3.3
285.03873	32.3
286.04599	3.2
293.04404	3.7
294.05219	6.3
295.05923	4.4
296.03174	9.4
296.06287	2.5
297.03848	18.9
298.01379	4.1
298.04669	38.2
299.05289	16.7
302.04193	23.9
303.04922	23.0
310.04712	8.1
311.05420	6.4
312.06207	15.2
313.07019	3.1
322.04575	12.6
323.05542	3.1
324.02802	4.8
325.03391	5.7
326.04099	18.6
327.04962	5.6
338.04120	20.2
339.04984	7.0
340.05685	4.6
349.03427	4.3
350.04123	28.4
351.04993	7.9
368.05264	10.7
369.06158	4.4
380.05075	2.6
453.05878	2.8
473.04935	2.9
481.05447	4.0
483.07507	2.4
485.53293	2.3
493.05438	2.9
507.03146	4.2
509.04999	27.4
513.04376	2.3
519.03711	4.1
521.04999	5.5
527.06000	28.0
531.05414	5.2
533.05145	6.8
537.04340	7.8
539.06281	6.1
543.05396	8.3
544.98792	3.0
545.07068	50.3
546.07562	2.8
547.06152	3.0
549.04309	3.9
551.05640	5.3
553.07391	4.8
555.05426	16.7
557.06903	5.3
561.06171	13.8
563.05688	6.1
567.05548	14.0
569.06866	11.7
571.06189	4.2
573.06586	68.3
574.06274	3.4
575.05695	2.3
577.07764	4.3
579.05450	6.9
581.07385	10.8
583.08423	3.5
585.06543	45.7
587.06006	2.8
591.05334	3.7
593.06665	3.8
595.08026	5.7
597.06598	42.3
598.06982	2.6
599.07697	5.6
603.07452	63.3
604.07758	2.8
605.07227	4.6
609.06580	22.4
611.07770	4.8
615.06726	3.6
621.06818	15.1
623.07886	4.6
627.07599	100.0
628.07831	6.0
633.06409	10.7
639.07587	42.2
640.07977	3.4
645.07874	4.4
647.07806	3.5
651.07574	70.5
652.07739	5.7
657.08521	28.0
663.07843	7.0
669.08655	58.4
670.09174	4.6
675.09143	33.6
676.08130	2.6
681.08301	9.1
684.86786	2.4
687.09546	34.5
688.09772	3.2
693.08795	34.3
694.08813	3.4
705.10461	51.2
706.09833	3.0
711.09857	17.2
717.08917	16.4
723.10040	8.3
729.10760	18.6
735.09735	20.1
741.10791	10.5
753.10834	15.6
759.11420	3.8
771.11963	14.0
789.12720	16.4
807.13428	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	842.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	4.4
65.03922	3.5
67.05495	100.0
69.03403	5.7
69.07058	26.4
71.04980	4.3
73.02897	3.1
79.05022	3.3
79.05479	57.3
80.05775	1.6
81.03395	5.3
81.07043	83.2
83.04983	7.2
83.08600	17.6
85.02886	4.3
85.06535	3.8
91.03924	2.4
91.04920	2.9
91.05465	43.4
93.07033	64.6
94.07361	2.3
95.04965	10.8
95.08593	54.6
97.02892	4.0
97.06503	8.5
97.10155	7.6
98.20744	3.7
99.08071	1.6
104.33502	1.4
105.04572	1.5
105.07014	29.7
106.19286	1.6
107.04940	4.7
107.08578	41.0
108.08916	1.9
109.06506	5.2
109.10144	42.1
110.10452	2.0
111.07176	1.2
111.08064	5.5
115.05405	1.7
117.06988	13.6
119.08557	27.9
121.06475	5.4
121.10124	25.7
123.08032	3.4
123.11694	7.4
125.09599	6.4
129.06964	3.2
131.08554	17.4
133.10106	18.8
135.08061	2.5
135.11682	19.3
136.11952	1.7
137.09607	3.8
137.13258	2.0
141.07004	2.1
143.08554	4.6
145.10103	19.6
147.11671	11.3
148.52657	1.4
149.09601	5.4
149.13225	12.0
151.11162	2.4
155.08607	2.8
155.10677	2.2
157.10101	5.2
159.11658	11.9
161.13263	6.2
162.13564	1.5
163.11154	4.6
163.14854	2.9
169.10059	2.2
170.67159	1.6
171.11674	4.0
173.11710	5.3
173.13235	6.7
175.14796	1.7
177.12729	3.3
183.11731	2.8
187.14835	3.6
189.11209	2.6
195.13838	3.5
197.13098	1.5
199.14818	2.6
214.46349	1.5
215.67406	1.6
227.12714	6.6
229.14290	26.8
243.08269	2.4
243.21019	4.7
256.03381	1.5
257.18954	4.0
259.20627	2.0
260.20895	1.6
261.22095	11.9
265.56042	1.5
269.17404	12.6
275.20053	21.6
276.20389	2.0
277.21417	2.9
291.19543	1.6
293.21112	2.4
317.24551	2.7
331.18677	2.0
333.24234	4.1
334.24640	1.7
335.25760	99.7
336.26199	3.0
349.23639	16.4
367.24881	11.4
368.25226	2.1
390.74863	1.5
431.31876	1.6
489.35684	26.2
505.34796	2.0
507.36099	1.8
515.37225	2.5
527.37079	2.5
529.38782	50.1
533.26843	5.0
547.39380	1.5
551.27838	4.9
609.45093	29.1
610.45404	2.1
627.46002	17.2
628.46741	1.7
835.54816	1.6
842.47040	3.0
843.48529	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	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	4.1
63.26339	2.2
65.03928	7.3
67.05497	91.6
68.56802	2.7
69.03391	11.3
69.07058	40.7
70.02074	2.2
71.04979	6.7
73.02913	2.3
77.03913	2.7
79.05480	89.5
81.03407	8.1
81.07045	100.0
82.07349	3.2
83.04971	11.9
83.08613	24.3
85.02908	6.3
85.06540	6.3
91.05470	95.4
93.07031	93.8
95.04934	16.4
95.08596	61.3
95.09198	4.0
97.02888	4.9
97.06530	15.1
97.10151	17.3
99.08099	3.1
105.07017	92.4
107.04929	7.0
107.08578	61.6
109.02911	2.5
109.06506	14.2
109.10139	35.4
111.08073	8.7
115.05435	4.6
117.07013	34.5
119.08559	62.0
121.06509	6.8
121.10129	41.8
123.08044	6.3
123.11666	8.2
124.85122	2.6
125.09642	14.7
127.03831	4.8
128.06212	6.5
129.05482	2.9
129.06993	27.2
130.07808	3.9
131.08554	49.7
133.06497	3.3
133.10106	56.9
135.08028	5.7
135.11682	24.4
137.09616	3.2
141.06949	11.8
142.07730	5.7
143.08553	26.5
145.10117	40.1
147.08089	3.6
147.11668	33.7
149.09558	12.1
149.13248	13.9
151.11130	4.0
155.08531	15.2
156.09210	2.5
157.10117	29.2
159.08127	3.3
159.11653	33.9
161.09534	5.2
161.13217	20.9
163.11185	8.8
163.14795	3.4
165.12665	2.4
167.08604	5.4
169.10130	14.3
171.10426	3.3
171.11647	18.9
173.09572	3.2
173.11801	3.8
173.13187	16.8
175.11218	4.1
175.14778	6.9
177.12675	3.8
179.14398	3.2
181.10107	8.6
183.11699	13.8
185.13255	20.5
187.11157	4.2
187.13217	3.5
187.14792	8.0
189.11215	4.1
189.12685	3.8
193.10023	2.9
195.11655	8.6
197.13249	11.3
199.14793	9.1
200.15219	2.9
207.11705	3.1
209.13248	8.8
211.14819	6.8
213.16362	4.0
219.11685	3.6
221.13181	4.1
223.14867	5.3
225.16322	5.1
227.12787	9.8
229.14322	5.0
231.21051	3.1
235.14833	3.0
237.16295	4.4
239.18066	4.9
241.19603	17.9
247.20610	3.4
251.17828	5.0
253.14293	3.3
255.15732	4.0
257.19022	12.0
259.20538	39.8
265.19382	3.1
269.17532	8.0
275.20065	33.5
276.20322	5.6
293.21024	3.4
297.21976	2.9
333.24228	39.7
349.23877	18.7
350.24146	3.8
365.28329	6.3
383.29358	3.8
421.30865	5.4
439.31955	3.5
453.33594	4.3
473.11188	2.6
475.35471	2.6
513.35608	28.6
515.38263	6.2
527.37238	19.5
533.40125	7.4
545.37970	4.1
551.40222	4.5
567.40533	4.5
607.43616	46.9
608.43634	5.5
625.44379	56.1
643.44537	5.0
758.79071	3.4
762.95087	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02214	1.9
59.04993	2.5
65.03902	7.3
67.05143	3.9
67.05492	79.9
67.40664	1.8
69.03397	4.7
69.07052	31.9
69.98701	12.0
71.04972	6.5
79.05479	91.5
81.03392	5.8
81.07040	77.6
83.04969	6.8
83.08596	29.7
85.02869	3.5
85.06512	3.8
86.08336	2.1
91.05463	79.2
93.07027	72.5
95.04955	12.9
95.08587	46.6
97.02869	4.0
97.06496	7.9
97.10153	41.7
103.05447	4.7
105.07012	85.8
106.63270	1.8
107.04940	6.9
107.08572	81.3
109.02941	2.6
109.06477	8.8
109.10127	23.8
111.08076	4.8
115.05402	3.8
117.07000	33.9
119.08559	55.3
121.06471	2.9
121.10125	31.4
123.08021	2.2
123.11675	14.2
125.09615	33.2
127.03796	3.5
128.06165	5.9
129.06984	25.5
130.07761	2.3
131.08543	40.3
133.06479	3.0
133.10100	50.7
135.08018	8.8
135.11649	19.3
137.09569	4.6
141.06969	9.1
142.07784	2.8
143.08556	23.3
145.06439	2.3
145.10097	38.2
147.08070	3.1
147.11662	35.7
149.09567	8.6
149.13246	8.3
151.11133	2.6
153.06915	2.6
155.08516	15.3
156.09329	3.1
157.10097	24.8
159.11659	26.7
161.09587	4.5
161.13243	16.7
163.11142	4.5
167.08553	6.2
168.09329	5.1
169.10104	16.3
171.10275	4.1
171.11617	22.1
173.11835	3.4
173.13229	17.6
175.11143	3.8
175.14792	7.8
179.08466	4.8
181.10077	7.0
183.11649	15.9
185.13239	16.6
187.13225	5.7
187.14806	11.4
189.11211	18.1
189.12695	3.5
189.16345	2.4
195.08089	2.6
195.11667	9.1
197.13214	15.6
199.14711	10.1
201.16267	4.0
203.14259	2.6
207.11702	2.5
209.13220	6.9
211.14803	7.2
213.16354	6.8
215.17929	4.2
221.13220	4.0
223.14812	5.7
225.16356	6.0
227.12715	27.5
229.19347	2.6
235.14830	3.2
237.16315	6.2
239.17943	8.6
241.19543	16.3
243.15901	6.3
245.13695	2.8
249.16354	2.5
251.17967	3.9
253.19359	4.9
255.20982	3.5
257.18866	9.0
259.20541	29.6
275.20020	26.4
277.21481	2.8
297.21921	2.4
315.23138	6.0
333.24191	32.2
339.22934	2.3
349.23752	20.1
351.24887	3.2
363.26892	2.7
365.24478	3.5
365.28394	19.9
381.31516	5.9
383.29547	2.9
421.31271	2.6
439.31906	6.1
485.32864	2.6
495.34238	2.5
499.34241	2.8
503.33496	7.3
513.35889	11.3
515.38477	11.0
525.35669	3.7
529.35663	2.2
533.40228	11.6
543.36676	4.9
551.40619	6.2
589.42108	3.8
607.43561	65.8
608.43396	4.8
625.44537	100.0
626.44226	8.7
692.25421	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	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.8
65.03928	7.1
67.05495	100.0
69.03420	20.3
69.07056	65.2
71.01323	1.7
71.04981	23.9
73.02917	8.0
77.03920	1.4
79.05482	90.4
81.03403	23.1
81.07043	91.3
82.07391	2.5
83.04973	15.4
83.08603	12.9
85.02897	8.6
85.06519	4.2
87.04483	1.2
91.03930	1.7
91.05464	69.3
93.03379	1.4
93.07030	86.9
94.07381	1.8
95.04951	18.1
95.08591	64.8
97.02883	12.5
97.06517	87.6
97.10149	5.5
98.06893	1.3
98.21451	3.0
99.04452	3.7
99.08075	6.2
103.05463	2.6
104.06144	1.2
105.04472	1.3
105.07010	47.7
106.07297	1.2
107.04948	10.9
107.08578	43.0
108.08916	1.6
109.02872	4.7
109.06496	18.1
109.10140	23.7
110.06829	1.1
111.04440	3.4
111.08041	8.4
113.05995	2.9
113.09647	1.8
115.05437	4.1
115.07550	34.5
117.06993	23.4
117.28355	1.2
119.08568	29.6
121.06471	6.6
121.10124	30.2
123.08116	6.8
123.11714	6.6
125.09623	2.1
127.03893	10.5
127.07528	3.1
128.06212	2.4
129.05455	2.7
129.06973	12.1
130.07756	1.8
131.08542	29.9
133.06473	6.2
133.10115	29.1
135.08035	13.3
135.11661	17.2
136.11998	1.3
137.09610	3.0
141.06937	1.8
142.07776	1.6
143.08557	11.1
145.04956	1.3
145.06450	3.3
145.10118	20.2
147.08009	5.8
147.11665	11.8
149.09598	6.3
149.13249	15.0
151.11163	5.2
151.14784	1.3
155.08546	3.5
157.06578	1.5
157.10107	9.6
159.08031	3.0
159.11667	16.2
161.05879	1.3
161.09625	7.4
161.13239	7.5
163.11147	4.1
163.14813	2.4
167.08594	1.3
169.10153	4.3
171.11656	6.8
173.04428	7.6
173.09575	2.5
173.13242	7.5
173.21542	1.3
175.11179	5.1
175.14732	3.5
177.12723	5.7
179.14246	1.5
181.10103	2.3
183.11667	2.7
185.13216	3.9
187.11137	3.3
187.14764	5.0
189.12807	1.5
189.16437	1.8
195.11630	2.2
195.13901	3.9
197.13199	2.1
199.14824	4.4
201.07495	3.3
201.12662	2.2
201.16385	1.8
217.15904	8.6
219.13667	1.5
221.15240	1.7
227.17900	2.7
229.66219	2.0
233.15320	3.5
235.16768	1.8
243.21118	3.1
245.18948	3.8
247.16866	1.6
249.14732	1.4
253.14360	4.9
255.17352	3.8
259.20474	3.6
261.22104	8.7
269.17413	13.3
273.18469	34.1
273.79337	1.6
275.19919	3.9
277.21597	2.7
291.19504	16.7
297.16879	1.6
307.18918	3.4
333.24060	3.2
335.25754	97.8
336.26093	4.6
347.22229	10.3
349.23825	2.6
365.23178	13.8
367.24744	1.5
369.24182	1.6
383.24130	3.0
391.28677	2.4
515.37250	3.3
529.38782	27.4
531.36725	2.5
551.40564	1.7
555.39655	1.7
567.39929	2.7
607.43268	6.1
608.04370	1.4
625.44385	19.7
626.43768	1.4
643.45410	8.3
769.50305	1.3
841.47229	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	3.9
65.03922	5.7
67.05495	81.5
69.03404	9.0
69.07057	33.1
71.04966	5.4
71.16071	4.7
72.18289	2.5
79.05483	84.4
80.05819	2.9
81.03399	8.8
81.07044	100.0
83.04967	11.1
83.08591	18.5
85.02878	7.5
85.06493	4.1
91.05466	88.6
91.06041	5.3
93.07036	80.3
95.04967	14.8
95.08590	51.5
97.02834	4.2
97.06504	10.9
97.10142	7.0
99.08062	5.2
105.07014	87.8
107.04938	8.3
107.08572	53.4
109.06484	9.7
109.10129	23.2
111.08070	6.1
115.05419	5.0
117.07014	33.7
119.08559	71.8
121.06489	4.4
121.10130	33.8
123.08044	4.1
123.11671	5.5
125.09577	4.4
127.03878	4.7
128.06184	5.3
129.06981	19.1
130.07848	2.7
131.08556	37.5
133.06526	2.6
133.09175	4.0
133.10106	48.6
135.08025	7.3
135.11642	24.1
137.09575	3.9
141.06953	4.6
142.07742	3.4
143.08505	22.9
145.10112	30.3
147.08087	5.1
147.11662	40.6
149.09608	6.2
149.13237	17.0
155.08524	10.0
157.10100	17.9
159.11656	26.2
161.09526	2.9
161.13251	17.8
163.11169	7.0
167.08569	3.6
169.10059	8.2
171.11667	17.4
173.13193	16.4
175.14793	5.4
181.10078	5.1
183.11668	9.6
185.13245	12.5
195.11642	4.7
195.13725	4.4
197.13210	4.4
199.14804	5.7
200.55748	2.8
209.13231	4.0
211.14771	4.0
213.16396	5.8
217.15753	2.8
221.13155	2.6
223.14758	2.8
227.12552	2.6
239.17865	3.2
241.19444	15.3
255.15884	12.9
257.18906	6.9
259.20566	33.4
267.15863	4.0
269.17371	15.1
271.20499	2.8
275.20062	18.4
276.20209	3.8
277.21701	4.5
301.21606	3.2
315.23105	3.8
333.24173	38.1
339.23029	3.2
341.24762	3.0
349.23648	7.8
350.23904	3.1
367.24628	3.7
435.32327	8.0
453.33636	5.1
471.34210	2.8
513.35876	12.4
515.38165	4.5
517.38660	3.6
527.37213	43.0
528.38129	3.4
545.38177	7.7
607.43958	12.7
625.44348	14.0
841.46643	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70631	1.7
61.02915	3.7
63.56628	1.6
65.03922	5.1
67.05493	86.3
67.20042	1.5
68.05782	1.9
69.03421	11.0
69.07056	40.0
69.76221	1.5
71.04967	6.8
73.02913	1.6
77.03923	3.1
79.05481	83.5
81.03412	11.9
81.07042	100.0
83.04955	12.5
83.08598	21.6
85.02877	7.4
85.06524	5.3
85.40857	1.6
91.05467	88.5
92.05799	2.4
93.07029	95.0
94.07375	2.6
95.04953	16.1
95.08592	53.6
97.02858	6.2
97.06527	11.8
97.10146	8.0
98.21464	3.5
99.04456	4.0
99.08086	7.2
100.65348	1.8
103.05455	3.3
105.07011	89.9
106.07330	2.5
107.04924	8.5
107.08576	50.9
109.06506	13.4
109.10131	21.5
111.08068	6.0
111.11658	2.5
115.05439	6.3
117.07002	30.1
119.08561	66.9
119.09415	3.8
121.06478	5.6
121.10127	30.1
123.08020	5.1
123.11702	9.0
125.09610	4.9
127.03888	3.8
128.06204	7.3
129.06978	21.3
130.07770	2.3
131.08545	46.8
133.06485	3.2
133.10110	50.7
134.10390	2.3
135.08031	7.6
135.11646	20.4
137.09598	4.0
139.11179	4.2
141.06964	6.4
142.07729	3.5
143.08540	23.9
144.09346	1.8
145.04982	2.4
145.06494	2.5
145.10104	35.7
147.07999	2.5
147.11659	36.6
149.09639	11.7
149.13264	14.8
151.11166	5.0
155.08543	12.4
156.09155	2.0
157.10109	24.0
159.08058	3.1
159.11661	28.6
161.13254	17.5
163.11169	6.2
163.14813	2.7
167.08521	5.1
169.10065	12.5
171.11627	20.9
173.04454	3.8
173.09351	2.2
173.13229	15.0
175.11177	2.9
175.13338	1.5
175.14751	9.0
177.12686	3.8
181.10092	6.4
181.12250	1.7
183.11636	12.7
185.13213	18.6
187.14789	7.1
189.11240	2.0
189.16383	1.9
193.10146	2.7
195.11682	5.3
195.13699	3.7
197.13237	8.3
199.14854	9.3
201.12688	2.7
201.16391	3.7
203.17955	1.9
207.11684	4.7
209.13216	6.4
211.14780	3.9
213.16356	4.6
215.17761	1.7
217.15770	3.3
221.13197	3.4
223.14792	3.9
225.16339	2.9
227.12663	2.7
227.18127	2.1
229.14313	2.3
231.17580	1.9
231.21071	5.0
233.13184	2.1
237.16370	4.1
239.17892	4.7
241.19513	16.9
247.20396	2.5
253.14224	2.3
255.15744	9.2
257.19012	6.5
259.20547	38.6
267.15948	3.8
269.17383	14.9
271.20551	2.0
273.18231	2.2
275.20056	21.6
276.20218	2.5
277.21622	3.8
313.21567	2.0
315.23004	8.6
323.23651	2.3
327.23169	2.0
331.22522	1.9
333.24225	46.3
349.23788	12.8
353.24460	2.1
367.24844	3.0
417.31326	1.9
421.30518	2.7
433.29898	2.3
435.32489	6.3
439.31644	2.4
453.33521	4.8
471.34482	2.4
495.34949	2.2
499.34320	1.8
509.36041	3.1
513.35760	22.6
515.37714	5.0
527.37244	36.5
537.35968	2.3
545.38080	4.4
607.43561	22.9
608.44006	2.0
625.44519	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	840.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17008	1.6
65.03920	5.1
66.34148	1.5
67.05496	50.2
69.03403	1.6
69.06744	1.9
69.07063	27.4
70.14870	6.6
70.15277	2.9
71.04971	5.2
73.30828	1.6
79.05485	56.7
80.05833	1.7
81.03400	3.6
81.07043	100.0
83.04960	7.8
83.08613	14.1
85.02882	2.0
85.06522	4.8
91.04922	3.1
91.05470	60.1
91.06040	3.2
92.05817	2.3
93.07034	55.4
95.04941	10.5
95.08591	41.3
97.06511	8.9
97.10136	3.0
99.08073	4.2
105.07014	63.7
107.04948	8.7
107.08569	34.3
107.09246	3.1
109.06509	18.2
109.10146	14.9
111.08051	4.9
113.09626	1.7
115.05440	2.4
117.06993	16.9
118.30315	1.5
119.07730	3.5
119.08562	54.1
121.06493	3.8
121.10116	26.7
123.08073	7.4
123.11675	9.8
125.09621	3.9
127.07502	1.7
128.17435	1.5
129.06975	9.1
131.07652	2.5
131.08554	26.1
133.10109	42.3
135.08034	5.4
135.11656	15.1
137.09595	3.8
137.13254	1.9
141.06958	2.3
142.07764	1.6
143.08566	9.6
145.06476	2.6
145.10106	24.8
147.11662	46.8
148.11957	1.8
149.09608	9.5
149.13252	11.2
151.11162	3.7
155.08517	4.5
157.10052	9.4
159.11685	18.5
161.13239	19.7
163.11179	7.7
163.14806	3.1
165.12746	6.9
169.10078	3.9
171.11618	11.4
171.41125	1.5
173.13243	10.8
175.11208	3.6
175.14777	7.7
177.12680	3.2
179.14258	2.0
181.10091	1.9
183.11702	3.3
185.09787	1.5
185.13278	8.2
187.11157	2.0
187.14754	3.8
193.12213	3.2
197.13181	1.9
199.14815	3.7
201.12640	2.2
203.14250	2.4
213.16273	3.9
215.17848	3.3
229.19493	3.8
231.21034	6.1
239.17889	4.3
241.19485	21.3
243.21021	2.2
247.20641	2.6
257.18921	8.2
259.20523	54.6
260.20889	2.7
275.20020	39.5
276.20477	3.9
277.21732	2.7
285.22055	1.6
289.21521	2.2
293.21072	15.6
315.23172	7.7
333.24194	92.4
334.24536	4.6
339.27017	1.6
349.23743	14.5
351.25101	6.5
367.24765	46.0
368.24814	2.2
515.38483	4.3
533.39636	5.3
551.40588	6.9
607.43469	19.1
608.43896	2.2
625.44562	38.0
626.44757	3.3
643.45160	9.3
796.57135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	3.5
65.03914	4.0
67.05490	92.0
69.03406	6.8
69.07050	41.2
70.05294	12.2
71.04977	6.9
79.05477	98.9
81.03394	6.4
81.07041	92.7
82.07397	1.9
83.04970	15.7
83.08601	35.2
85.02871	6.0
85.06517	6.4
91.05461	99.1
92.05824	2.0
93.07026	90.9
95.04947	46.2
95.08591	61.5
97.06520	12.1
97.10158	13.9
99.08053	4.6
103.05450	4.9
105.04525	2.7
105.07005	100.0
107.04947	12.5
107.08575	67.3
108.08870	2.5
109.06494	9.3
109.10135	29.4
111.04410	6.1
111.08040	9.9
115.05437	4.2
117.07000	41.0
119.08557	88.9
121.06468	7.8
121.10115	38.8
123.08033	10.8
123.11678	5.8
125.09624	13.6
128.06194	4.9
129.06967	19.3
130.07730	4.1
131.08543	49.3
133.06453	3.5
133.10110	58.5
135.08003	7.7
135.11673	29.4
137.09599	2.6
139.11107	3.2
141.06978	8.6
142.07729	2.3
143.08562	20.2
145.06458	2.8
145.10095	49.6
147.08035	2.9
147.11658	41.8
149.09573	21.5
149.13275	11.6
149.14331	2.0
151.11192	4.4
154.07802	2.7
155.08490	9.7
157.10114	22.4
159.11649	35.5
161.09593	2.7
161.13222	22.6
163.07753	1.9
163.11159	24.7
163.14775	5.5
165.12755	4.1
169.10089	14.1
171.11678	20.1
173.09637	4.2
173.13202	19.0
175.11143	3.2
175.14784	12.1
177.12758	6.0
179.08557	3.2
180.09589	2.0
181.10095	4.7
181.12233	2.2
182.10963	2.3
183.11664	13.5
185.13213	15.9
187.11127	4.8
187.14793	9.5
189.11221	8.1
195.11717	7.1
197.13179	6.0
199.14790	6.5
201.16402	3.7
203.14207	2.6
205.12262	2.5
207.11639	2.6
209.13239	6.4
211.14844	6.3
213.16283	4.6
221.13251	3.0
223.13202	20.7
227.12596	4.9
229.19400	2.7
231.20979	2.9
235.14728	2.4
237.16301	3.5
239.17955	8.1
241.19449	21.4
247.14743	2.8
247.20717	3.7
255.15775	4.3
257.18887	10.0
259.20544	54.5
260.20929	2.3
269.17380	6.4
273.18475	4.2
275.20004	44.9
276.20239	3.6
291.19659	2.1
293.21097	20.8
297.22241	2.6
315.23117	10.8
331.22385	2.8
333.24228	74.4
335.25671	3.1
349.23697	21.0
351.25342	2.3
367.24789	26.6
497.36600	2.8
499.34161	3.9
513.35583	13.2
515.38275	3.7
527.37225	12.9
533.39417	3.3
551.40521	2.7
607.43561	33.6
625.44434	69.2
626.44769	5.4
669.81097	2.2
791.12250	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	839.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04504	5.0
69.03413	3.6
69.07049	4.2
70.02951	3.6
70.06578	71.5
71.06948	3.7
71.69682	3.6
71.70060	4.0
72.07762	7.2
72.08141	100.0
79.05476	7.1
82.06609	3.5
84.04498	7.9
84.08129	55.1
85.02898	4.4
86.09689	20.0
87.06862	3.3
91.05484	11.0
93.07030	7.0
94.06573	4.5
95.04903	3.8
95.07339	5.5
96.08118	5.9
96.25299	3.3
99.36556	3.8
100.11238	8.7
103.05476	9.6
107.04932	4.7
108.08109	15.2
110.07133	4.5
110.09683	11.1
115.08673	7.8
120.08089	44.4
121.02879	5.6
122.05982	8.1
124.07587	6.8
126.12767	14.4
129.10201	17.9
136.07591	19.9
137.05995	3.9
138.09093	21.1
140.07047	4.4
160.18076	65.5
161.18414	4.6
166.08624	31.9
166.09911	4.9
167.07001	21.0
172.03926	18.2
182.15404	4.8
190.05006	13.0
199.08624	4.0
204.06541	34.3
210.14780	4.3
211.08626	4.0
222.69002	3.2
225.10260	3.9
237.10268	8.5
239.11778	7.0
241.09610	5.8
243.11194	9.9
249.10172	4.6
250.11101	4.8
251.08070	4.3
251.11694	4.6
253.09505	3.6
254.31128	3.9
263.11862	5.4
265.09637	8.5
267.11230	7.7
269.12817	4.9
273.03943	11.6
273.12195	5.0
279.11203	6.4
283.10779	8.8
285.03918	13.0
285.12442	7.7
287.10361	4.2
293.09372	4.5
295.10641	6.3
297.12219	5.3
301.11871	5.0
302.12735	4.7
303.04935	9.7
303.13486	16.6
309.12259	3.8
311.10107	5.1
321.08521	4.8
323.10004	7.1
325.11841	8.9
327.13544	3.8
339.09909	8.7
343.13193	7.0
344.14017	6.7
357.14438	15.1
358.15543	6.9
359.23251	5.4
359.72845	3.9
369.14651	4.0
371.12439	5.8
372.13086	4.4
373.14392	6.1
386.14984	9.0
387.15237	5.2
389.13470	14.7
405.08386	4.2
414.14459	7.5
415.15289	13.5
416.15778	8.2
418.17682	4.9
430.17859	5.3
432.15347	6.9
434.17209	6.6
444.15503	9.8
446.16977	9.2
456.15323	9.6
462.16446	18.6
474.16464	30.9
480.17731	5.7
487.16913	5.5
494.19043	13.3
506.19302	25.2
512.20227	14.4
524.20099	19.5
585.23145	4.4
599.24646	6.4
609.23639	7.8
627.24438	90.9
628.24316	6.1
630.28644	4.3
641.25684	11.2
645.25397	8.4
659.27002	27.1
677.27325	4.5
679.50800	10.0
789.28583	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	839.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40689	0.8
61.26686	0.7
64.53809	0.7
65.03934	1.3
67.05490	1.4
69.03416	3.9
69.07037	1.0
70.06577	4.3
71.04973	1.5
72.08129	1.2
73.02905	1.5
81.03413	11.7
84.04510	0.8
84.08114	2.9
85.02886	4.0
86.09672	1.3
91.05461	1.4
93.05753	0.9
94.06544	2.2
95.04984	1.6
97.02873	6.1
99.04410	1.6
102.33414	0.8
103.05430	0.9
108.04446	6.7
108.08100	11.1
109.02860	7.7
110.05997	1.8
120.08088	4.5
122.06007	4.0
124.07555	6.6
125.02343	1.3
127.03876	4.0
127.92593	0.9
129.10254	0.8
134.05974	1.6
136.07550	30.9
137.05931	0.9
138.09123	1.3
139.72363	0.8
140.07040	1.5
142.08615	2.0
146.05951	4.9
146.09671	0.8
148.07553	4.0
150.05505	1.2
150.09122	0.9
152.07098	1.4
154.08609	2.8
160.07547	1.8
162.05458	1.8
164.07040	7.8
166.04962	1.1
168.06573	3.2
168.07970	1.2
171.05608	0.8
172.03915	0.8
173.06999	0.9
173.10750	1.9
174.05493	2.9
178.08551	1.1
180.08022	1.3
181.08844	1.2
183.09120	1.0
185.10771	0.8
190.05028	0.9
192.06473	1.0
194.09659	1.2
195.09097	1.3
196.07388	1.1
196.09813	2.0
196.11328	1.6
197.06947	1.5
197.08690	1.1
197.10674	3.0
198.07758	2.1
198.09309	1.1
199.06061	0.9
199.08591	4.2
199.12161	1.3
200.07201	0.7
200.09258	1.9
201.10158	4.2
204.06564	2.6
206.08308	7.1
209.10696	1.6
211.08601	23.3
211.11951	4.5
212.09247	7.5
213.06735	1.0
213.10190	12.8
213.13724	1.0
214.09044	0.8
214.10803	4.4
215.08107	1.0
215.11681	1.9
221.10669	4.2
222.09062	1.9
223.08563	5.0
223.12315	1.4
224.09377	3.8
225.10173	24.8
225.12292	1.5
226.07181	1.0
226.10716	4.7
227.08142	7.7
227.11732	10.7
228.12492	1.0
229.09671	3.2
229.13271	1.4
235.08337	1.0
237.10196	5.0
238.10918	2.8
239.08156	6.7
239.11748	28.5
240.08749	6.9
240.12436	2.6
241.09673	14.5
241.13329	11.8
242.10254	4.1
243.11240	6.3
245.12770	1.0
249.10178	3.3
250.08690	4.0
250.10883	1.2
251.08070	6.0
251.11754	4.8
252.08551	4.0
253.06758	1.2
253.09682	23.5
253.13306	1.7
254.10388	6.7
255.11243	13.5
256.11896	4.2
257.09158	0.8
257.12759	5.1
258.13519	1.0
259.10620	0.7
259.14352	6.3
264.08826	1.0
265.09647	5.0
265.12827	0.9
266.10474	2.4
267.07788	3.6
267.11230	43.6
268.08444	2.1
268.11835	5.1
269.09229	6.1
269.12799	19.0
270.09982	1.1
270.13339	0.8
271.10739	5.5
271.13995	0.9
272.11264	3.3
273.12433	3.9
274.13196	1.1
275.13806	1.6
277.09595	1.8
278.08051	1.0
279.08124	0.9
279.11142	4.1
280.09100	1.0
281.09140	8.6
281.12738	3.1
282.09738	4.0
283.10709	10.0
284.11465	1.9
285.03818	1.3
285.12289	15.9
286.12860	1.3
287.10544	1.1
287.13834	10.7
293.09210	3.2
295.10721	34.8
296.11398	2.5
297.08954	0.8
297.12259	17.3
299.10614	1.8
299.13940	4.3
300.10938	1.3
301.11798	4.8
303.13351	8.4
305.15076	5.8
307.10712	3.1
309.12106	1.9
311.10184	3.1
311.13846	1.1
313.11761	37.1
314.12338	2.9
315.13339	10.4
317.14938	2.7
321.08676	1.3
321.12326	1.4
323.10168	14.1
325.11740	6.9
326.12161	1.2
327.13239	3.9
333.12167	1.1
337.11572	1.3
339.09552	2.7
339.13373	1.6
340.10770	1.0
341.11264	15.3
342.11969	2.9
343.12796	9.1
344.13214	1.0
353.11011	1.0
355.12854	12.6
357.14233	2.7
359.12393	1.5
363.76831	0.9
369.14426	1.1
371.12225	2.6
373.13885	18.5
374.14523	1.0
375.15570	1.1
381.14224	1.2
383.11914	3.6
385.13959	4.6
386.15073	1.0
387.15292	1.3
393.14450	1.5
395.15948	0.9
405.14365	1.1
409.13977	1.0
411.15359	3.4
415.15085	5.3
417.16431	1.0
421.13922	2.2
423.15503	3.8
429.16165	2.5
439.14777	12.2
441.16400	6.1
442.17206	0.8
449.13458	6.6
451.14783	2.6
453.16287	0.9
455.14343	1.1
457.15933	21.1
458.16418	1.7
459.17459	3.3
462.16571	1.0
467.08243	1.2
467.14410	16.2
468.15268	1.1
469.16031	10.3
471.17566	1.0
473.14749	1.0
474.16199	1.2
475.16937	1.0
481.16074	8.2
483.17746	4.4
485.15506	29.1
486.15634	2.3
487.17133	9.3
499.17007	23.6
501.18533	9.9
503.16135	1.5
505.18076	3.0
517.18097	100.0
518.18408	4.0
519.19427	8.0
535.18970	3.5
609.23090	1.6
620.22150	1.0
627.24249	4.9
652.24579	2.9
668.24207	1.9
687.25348	0.9
707.26575	2.2
712.04907	0.9
725.27985	2.0
727.29211	2.3
735.26276	3.5
743.28357	1.0
745.30530	8.8
746.29999	1.0
753.27625	8.9
761.29742	2.6
763.31281	2.8
767.28644	2.1
771.28198	8.2
785.29407	3.2
789.29565	27.6
790.29279	2.6
803.31384	4.5
807.29602	1.8
821.31934	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	838.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22346	1.3
65.03925	3.4
67.05136	2.6
67.05493	46.0
69.07053	15.7
69.43948	1.3
71.04978	11.2
71.47413	1.7
71.47739	1.6
79.05480	36.4
81.03397	3.6
81.07043	64.4
83.04963	4.2
83.08607	6.4
85.02872	2.1
85.06530	3.0
88.65461	1.5
91.05465	25.3
91.05976	2.8
93.07029	32.2
95.04965	8.6
95.08591	31.7
97.06515	5.1
99.08077	3.2
105.07011	19.7
106.65937	1.7
107.04935	5.6
107.08579	20.6
109.06475	9.6
109.10157	10.7
111.04414	4.3
111.08040	1.7
117.07024	6.4
119.08553	15.6
121.06484	3.3
121.10099	17.1
123.08059	5.2
123.11681	3.5
129.06984	1.7
131.08551	9.5
133.05659	1.4
133.10086	12.7
135.08015	2.5
135.11647	7.6
137.09595	1.5
141.06952	1.9
143.08545	2.2
145.10077	9.9
147.11676	8.7
149.09610	5.1
149.13220	4.7
151.11156	1.9
157.10095	3.0
159.11656	7.7
161.13237	3.2
163.11182	2.2
163.14793	2.6
165.12790	2.2
170.91496	1.7
171.11694	1.7
173.13237	4.0
175.11099	1.8
175.14772	1.5
185.13322	1.4
187.14899	1.8
191.10971	1.5
243.21115	1.4
247.20593	1.8
257.18936	1.9
261.22195	3.0
267.15961	1.6
275.20050	31.4
280.40369	1.5
293.21161	4.2
307.22629	5.3
311.07193	1.5
335.25745	100.0
336.26013	1.8
349.23749	15.3
381.26303	18.7
422.93207	1.5
515.37341	2.1
529.38824	5.8
535.41907	2.2
609.45026	52.0
610.45178	2.7
627.46014	8.1
641.47687	25.4
740.95752	1.7
825.09009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49596	1.1
61.02914	1.1
65.03924	2.5
67.05490	49.3
68.99773	1.3
69.03404	3.8
69.06687	2.0
69.07054	34.4
70.29488	1.8
70.29885	2.8
71.04978	3.1
79.05476	48.9
81.03394	10.6
81.07040	88.6
83.04963	8.5
83.08605	12.4
85.02876	2.2
85.06516	2.6
87.04452	3.9
91.05462	51.9
93.07027	44.5
95.01290	5.8
95.04949	15.2
95.08590	33.2
97.02872	1.4
97.06512	29.7
97.10166	7.9
99.08054	1.4
103.05460	2.5
105.07013	71.5
107.04941	17.7
107.08572	30.7
109.02920	1.8
109.06493	20.8
109.10120	10.5
111.08041	3.5
113.09622	1.5
117.06989	19.1
119.08557	41.2
119.09410	2.4
121.06498	4.3
121.10119	14.4
123.08037	4.5
123.11704	2.5
125.09619	4.7
127.03883	2.0
128.06198	1.5
129.06937	5.2
130.07802	1.2
131.08546	25.0
133.06476	1.6
133.10101	38.8
135.08026	6.2
135.11667	9.9
137.09592	2.5
139.07516	1.1
141.06949	2.1
143.08543	4.1
145.06462	2.0
145.10097	21.0
147.07988	2.1
147.11670	17.2
149.09592	14.7
149.13220	7.8
151.11143	2.7
155.08519	3.7
157.10097	5.2
159.11679	15.0
161.09598	2.3
161.13231	7.5
163.11150	9.0
165.12756	1.4
167.53903	1.3
169.10080	4.4
171.10181	1.3
171.11674	4.6
173.04419	1.4
173.09602	2.1
173.11896	1.4
173.13123	5.3
175.11169	1.9
175.14697	1.4
177.12737	5.1
179.14268	13.8
183.11629	3.3
185.13246	3.0
187.11095	1.8
189.11154	3.7
189.12724	1.5
191.14313	1.2
195.13759	1.8
197.13277	3.1
205.12248	1.1
211.66687	1.2
219.13937	1.5
219.17395	3.5
227.12700	11.5
229.19525	3.0
233.15352	1.1
239.17947	2.9
247.20526	4.7
255.15791	2.0
257.18964	11.7
269.17496	8.5
273.18433	1.5
275.20020	100.0
276.20407	2.4
279.15796	1.3
291.19476	4.3
293.21072	7.2
331.22589	2.9
333.24237	1.6
349.23666	62.9
350.24130	1.5
353.08038	1.1
365.23422	1.8
367.24844	1.9
368.85538	1.2
441.55588	1.0
503.33240	3.0
519.32770	2.1
527.37274	1.9
529.35083	10.6
543.36700	45.4
544.37091	2.4
579.48944	1.1
605.41681	2.3
623.42950	53.7
624.42969	4.9
641.44061	10.2
687.39850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.6
61.02915	1.4
65.03926	4.8
67.05492	80.5
68.05812	1.5
69.03409	5.3
69.07054	32.9
69.87460	7.8
71.04984	6.7
79.05479	66.7
80.05801	1.9
81.03404	10.9
81.07040	100.0
83.04969	15.3
83.08602	39.5
83.09074	2.3
84.97237	1.1
85.02898	2.6
85.06519	6.8
87.04467	1.5
91.05462	90.6
92.05795	1.6
93.07026	72.0
95.01321	1.3
95.04951	21.1
95.08588	50.6
97.02859	2.1
97.06507	12.1
97.10145	7.0
99.04438	3.1
99.08084	5.8
103.05446	3.2
105.07009	86.2
106.07326	1.7
107.04943	17.7
107.08572	52.5
109.02852	3.3
109.06490	20.8
109.10130	44.0
111.04457	1.8
111.08068	8.9
113.06008	2.0
115.05454	2.9
117.06994	24.5
119.08556	60.3
121.06487	6.8
121.10117	29.2
123.08029	7.3
123.11699	10.2
125.09618	5.1
127.03899	3.8
127.07537	2.5
128.06209	3.5
129.06976	16.0
130.07762	1.6
130.28163	1.2
131.08540	34.5
133.06494	5.6
133.10106	73.1
134.25421	1.3
135.08031	11.5
135.11664	20.0
137.09583	5.8
139.11156	2.1
141.06956	3.4
142.07751	2.0
143.08540	14.1
144.09404	1.4
145.06421	3.3
145.10101	29.6
147.08043	4.4
147.11664	34.2
149.09583	16.4
149.13235	7.9
151.07651	1.6
151.11150	25.6
151.12277	2.1
153.06844	1.3
153.08995	1.3
155.08502	5.0
157.10110	12.7
159.07997	2.9
159.11673	21.4
161.09576	5.8
161.13234	16.1
162.07135	1.2
163.11125	11.7
163.14867	3.7
165.09064	1.2
165.12737	6.4
167.08618	2.0
169.10144	4.3
169.12244	3.1
171.11652	12.2
173.09579	3.4
173.13210	11.1
175.11113	6.0
175.14743	7.1
177.12706	4.0
179.10640	2.8
179.14275	3.9
181.10014	2.4
181.12219	1.5
183.11635	6.3
185.09599	1.7
185.11682	2.4
185.13274	8.6
187.11130	3.5
187.14778	5.3
189.11136	2.4
189.12721	4.0
191.10643	2.6
191.14352	1.5
195.11647	2.9
195.13869	1.6
197.11635	1.7
197.13297	3.8
199.14838	6.0
201.12773	3.5
201.16345	2.5
203.14381	1.8
207.13776	1.6
209.13240	2.7
211.14867	3.4
212.15462	1.3
213.16362	3.6
215.12672	2.4
215.17899	1.8
221.13306	1.5
223.14864	2.0
227.12747	3.2
227.17924	1.8
229.19469	3.0
231.21146	3.0
233.15341	1.8
239.17972	3.2
241.19482	13.4
242.19772	1.5
243.21010	1.4
245.18970	2.9
247.20557	2.1
253.14285	60.6
253.21689	1.4
255.17441	3.5
257.18933	10.2
259.20523	40.1
263.20123	4.2
269.17197	1.4
271.15393	3.3
273.18445	12.7
275.20013	49.2
276.20364	1.7
277.21713	3.0
289.18039	2.9
291.19464	15.8
293.21011	10.4
301.21606	1.3
313.21542	2.4
315.23019	8.0
331.22784	2.1
333.24161	41.8
333.28082	2.2
335.25760	3.4
341.24490	1.4
347.22171	4.8
349.23663	51.6
350.24069	1.8
353.28397	2.1
361.23126	1.4
363.21509	1.9
365.23181	22.7
367.24747	22.4
409.31055	2.0
419.24265	1.6
437.30304	2.6
455.31790	2.0
477.52484	1.5
487.34195	2.3
495.35077	1.5
501.35760	2.6
511.34344	10.8
512.07874	1.5
513.36694	3.4
525.35718	1.9
529.35126	14.6
531.38019	4.7
538.26849	1.4
543.36597	4.6
549.38940	3.3
555.04242	1.4
595.43298	1.9
605.42017	9.5
617.64215	1.3
623.42969	63.2
624.43524	3.5
641.43964	52.0
642.44427	2.5
659.44940	4.3
672.06970	1.5
785.46490	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	838.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04959	1.5
60.70457	1.2
65.03922	3.9
65.28914	1.4
67.05496	61.4
69.03413	6.7
69.07058	46.0
71.04980	4.3
79.05480	56.0
81.03400	13.4
81.07043	91.0
83.04964	10.9
83.08594	14.6
85.02878	2.6
85.06494	3.0
87.04465	2.7
91.05465	74.0
93.07030	59.0
95.01314	8.6
95.04959	13.7
95.08590	41.2
97.02881	3.6
97.06517	33.3
97.10168	9.3
103.05466	1.8
105.07015	81.6
106.07320	1.9
107.04945	18.0
107.08577	36.3
109.02869	2.4
109.06507	14.6
109.10149	14.3
111.08068	5.1
111.98561	1.6
113.09639	2.5
115.05424	2.2
117.07011	22.1
119.07728	3.1
119.08560	53.6
120.08942	2.2
121.06510	5.9
121.10121	19.2
123.04417	1.7
123.08080	5.8
123.11678	4.3
125.09612	8.3
127.03850	2.1
128.06210	2.5
129.06981	8.4
131.08545	29.5
133.06523	3.6
133.10110	52.2
135.08034	7.7
135.11684	16.4
137.09607	4.1
139.07565	2.1
140.15436	1.6
141.06941	2.7
143.08539	8.9
145.06461	3.3
145.10097	25.0
147.08025	2.6
147.11678	21.3
149.09613	10.1
149.13206	10.5
151.11201	4.8
155.08572	3.3
157.10069	8.9
159.11678	18.7
161.09624	2.7
161.13252	10.0
163.11188	7.9
165.09050	2.4
169.10127	4.4
171.11623	7.1
173.13211	7.4
175.11153	2.7
175.14772	3.5
177.12761	5.9
179.14302	12.0
183.11707	5.7
185.13217	2.6
187.11174	3.7
187.14774	2.6
189.11182	2.4
195.13710	2.5
197.13240	3.7
223.13306	4.3
227.12703	4.2
229.19501	2.4
239.17981	3.1
241.19495	4.1
247.20569	3.5
253.14388	4.1
255.15866	3.3
257.18942	9.6
259.20468	9.5
269.17395	17.9
273.18506	4.3
275.20023	84.3
276.20468	2.4
291.19479	29.6
293.21060	4.8
328.15363	1.6
331.23013	1.8
333.24222	11.2
335.25674	2.0
349.23694	48.1
350.23895	3.2
355.70190	1.5
365.23404	10.5
367.24728	4.2
413.21329	1.7
525.35583	3.4
529.35291	20.3
543.36737	100.0
544.36908	7.1
605.41992	2.4
623.43042	36.9
624.43561	2.1
641.44287	7.9
687.41022	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	838.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40816	3.1
65.03913	7.2
66.55586	2.9
67.05493	70.5
69.03416	10.6
69.07056	43.9
69.55257	11.2
69.55683	12.8
71.04976	5.0
78.28081	2.8
79.05486	73.9
81.03411	10.9
81.07043	92.6
83.04981	11.6
83.08607	26.8
85.06548	4.1
89.88097	3.0
91.05469	86.3
93.07027	68.7
95.01330	4.5
95.04959	20.4
95.08594	51.6
97.02876	9.7
97.06533	24.2
97.10158	21.8
99.08091	4.3
105.07017	91.2
105.07726	4.8
107.04940	17.8
107.08570	42.4
109.06521	12.2
109.10147	21.9
111.08054	8.5
111.31072	3.1
114.72145	2.6
116.06208	2.9
117.06995	32.1
119.08571	64.6
121.06499	6.1
121.10133	30.1
123.08070	5.5
123.11687	6.9
125.09621	20.6
129.07004	16.6
130.07765	3.5
131.08546	35.6
133.06473	5.3
133.10104	53.2
135.08008	8.8
135.11703	15.5
137.09578	5.3
141.07025	4.8
142.07751	3.7
143.08548	17.6
145.06467	3.6
145.10112	32.0
147.08037	7.0
147.11682	38.2
149.09601	11.7
149.13234	8.5
149.30435	3.0
153.09044	3.5
155.08553	10.1
157.10146	14.0
159.07982	3.6
159.11710	19.0
161.09601	3.9
161.13283	16.0
163.11200	8.0
165.12724	2.9
169.10115	10.0
171.11670	15.9
173.09622	4.1
173.11949	3.2
173.13203	13.8
175.11214	3.8
175.14833	7.8
177.12737	4.5
179.14290	3.5
182.75990	3.2
183.11691	5.9
185.13213	8.1
187.14684	3.2
189.11209	8.4
189.12746	4.4
190.04448	2.9
197.13187	5.2
199.14824	5.3
205.12273	3.4
213.16428	4.8
223.13240	18.5
225.92712	2.8
227.12749	11.4
227.17886	3.5
239.17892	4.4
241.19440	16.0
257.19028	7.7
259.20566	37.2
267.15787	3.6
273.18503	11.5
275.20023	56.2
291.19507	100.0
293.21057	4.3
315.23242	7.7
331.22513	3.1
333.24173	40.8
349.23727	39.5
365.23151	35.3
367.24908	19.4
379.30042	4.3
455.73663	3.0
525.35400	9.7
543.36761	8.4
605.41736	4.1
623.42938	73.0
624.42877	6.2
641.43964	54.4
734.08191	3.1
771.02484	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	837.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.1
65.03936	2.1
65.70369	0.9
67.05492	33.6
68.05829	1.3
69.03405	2.5
69.07051	13.7
70.49837	0.8
71.04969	3.0
71.70073	1.8
72.08137	1.4
79.05476	38.6
81.03409	7.5
81.07039	100.0
82.07375	2.5
83.04967	7.1
83.08605	9.6
84.09360	1.0
85.02879	3.4
85.06517	2.8
86.09685	0.9
91.05457	28.8
93.07024	27.1
95.01318	0.9
95.04952	17.3
95.08582	18.1
96.08907	0.9
97.02885	1.4
97.06503	5.4
97.10154	6.0
99.04456	1.0
99.08056	2.2
101.42697	0.8
105.07015	25.3
107.04931	9.8
107.08571	16.0
109.02896	0.9
109.06499	47.7
109.10136	8.3
110.06828	1.5
111.04424	6.0
111.08060	5.2
113.05984	3.6
115.05408	1.4
117.07003	12.0
119.04949	1.9
119.08560	25.5
121.06487	7.6
121.10124	10.7
123.08037	4.9
123.11690	3.3
125.09608	3.6
127.03962	1.0
128.06184	2.0
129.06992	4.9
131.08528	13.1
133.06482	2.8
133.10104	9.1
135.08014	8.6
135.11658	6.8
137.09601	4.3
142.07721	1.0
143.08533	7.0
145.06422	1.6
145.10104	13.4
147.08038	6.7
147.11647	9.3
149.09584	8.2
149.13304	2.3
151.07486	1.1
151.11208	1.3
153.12706	1.8
155.08589	1.3
157.10115	6.0
159.08052	2.6
159.11676	6.5
161.09599	9.4
161.13226	2.5
163.11154	7.3
165.09117	2.4
165.12750	2.4
167.08545	1.2
169.10156	2.2
171.10266	1.2
171.11652	4.0
173.09482	2.1
173.13249	2.3
175.11169	3.1
175.14836	1.3
177.12766	1.4
181.12206	2.4
183.11671	1.7
185.09502	1.1
185.13312	2.0
187.11107	1.4
187.14818	1.3
189.11227	2.6
191.10626	1.4
193.12253	1.5
195.11687	1.3
199.11098	1.4
199.14751	1.2
215.17978	1.0
217.15863	1.7
220.09486	1.2
223.13307	1.4
227.12790	3.4
227.17889	1.8
229.14058	1.2
237.16106	1.4
245.19006	1.8
247.20531	1.4
249.14789	2.4
255.17427	1.3
257.19009	2.8
267.15811	1.5
273.18433	21.2
275.19995	28.6
276.20483	2.1
289.17844	1.4
291.19485	63.6
292.19827	3.6
293.21204	4.9
295.34366	0.9
309.20471	1.4
338.24133	1.0
347.22180	8.8
349.23715	16.4
365.18781	1.8
365.23169	21.4
367.24792	18.5
457.29236	1.7
478.36288	1.4
513.35608	2.7
521.34479	1.2
537.14972	1.1
557.34528	1.3
621.41431	7.1
639.42426	21.0
657.43512	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	837.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40552	1.8
61.02916	7.8
62.55507	1.5
65.03924	4.5
67.05495	75.8
69.03416	11.2
69.07060	40.7
70.21310	1.7
70.21632	8.0
71.04993	12.3
73.02926	4.3
79.05482	78.6
80.05827	3.0
81.03404	19.1
81.07047	100.0
82.07367	2.2
83.04974	18.0
83.08606	24.5
85.02914	13.0
85.06517	6.5
88.49268	1.5
91.03973	2.6
91.05465	62.1
93.07030	61.3
93.07490	1.3
95.04955	34.7
95.08589	42.4
97.02877	10.4
97.06524	33.2
97.10157	28.7
99.04430	4.1
99.08070	9.4
103.05408	2.7
105.06329	3.3
105.07018	59.2
107.04948	30.9
107.08572	47.5
107.09319	1.6
109.02856	5.1
109.06497	31.1
109.10143	27.7
110.06020	2.1
111.04434	11.6
111.08083	8.7
113.05975	2.4
115.05444	3.5
115.07522	3.3
117.07011	25.6
119.08563	40.5
121.02856	2.0
121.06493	14.3
121.10131	23.8
123.04401	2.8
123.08055	21.6
123.11679	7.1
125.09608	26.8
127.03906	4.7
128.06207	2.5
129.06987	11.9
131.04965	2.0
131.08542	32.9
131.41966	1.6
133.06482	6.8
133.10112	27.9
135.08023	19.7
135.11679	14.3
137.09601	10.6
139.07472	1.7
141.06955	5.1
141.34483	1.6
142.07755	2.5
143.08560	12.9
144.09360	2.4
145.06454	5.1
145.10098	32.5
147.08034	15.0
147.11661	17.3
149.09593	27.4
149.13254	5.6
151.11221	4.0
153.09094	4.4
153.12692	4.6
153.37854	1.7
153.71234	1.6
155.08528	7.1
157.10085	11.3
159.08046	6.9
159.11674	17.0
161.09576	13.9
161.13191	9.1
162.31435	1.8
163.11163	20.5
165.09074	2.3
165.12764	3.7
169.10104	5.0
171.08086	2.4
171.10266	3.5
171.11668	9.2
172.08826	1.8
173.09593	5.5
173.11766	2.0
173.13237	5.2
175.11201	9.5
175.14833	4.0
177.12735	7.5
179.14272	3.2
181.10085	3.1
181.12170	4.9
183.11691	5.6
185.09659	2.7
185.13239	5.7
187.11153	5.9
187.14787	4.2
189.11189	22.3
189.12709	1.9
191.10699	3.5
191.14339	3.9
193.12234	3.4
195.11655	3.4
197.09639	2.1
197.13187	3.3
199.14926	2.3
201.12700	3.0
205.12285	3.0
206.92255	1.7
209.13223	2.6
211.14771	2.8
213.12718	2.3
215.14146	1.9
217.15845	3.5
219.13742	2.8
223.13261	6.7
227.12732	30.2
227.17868	3.3
229.14314	2.8
229.19455	1.8
233.15309	2.5
237.16330	2.2
239.17856	2.3
245.13835	4.5
245.19011	5.9
247.20651	2.3
253.17868	2.6
255.17351	5.6
257.18982	8.2
263.20044	2.9
269.17566	5.0
271.17172	1.7
273.18481	42.2
274.18686	1.9
275.20026	56.9
276.20261	2.5
291.16348	3.6
291.19516	57.4
292.19812	2.1
293.21118	8.5
309.20724	2.2
331.22702	2.3
347.22131	14.7
349.23676	38.2
351.25009	2.1
365.23251	25.6
367.24878	5.4
383.24286	9.3
413.21536	2.3
457.38742	1.8
470.50403	1.9
513.35626	2.6
515.33270	1.8
517.31665	3.1
519.32861	3.3
527.33398	2.7
529.35803	2.0
535.32318	3.4
541.34912	5.7
543.36487	3.5
547.37292	1.9
559.36200	5.6
621.41638	12.5
639.42535	29.6
640.42834	3.0
657.43390	15.1
675.44489	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	836.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82140	1.2
61.89335	1.3
65.03914	2.6
67.05492	33.5
69.03404	6.1
69.07056	31.0
72.06897	1.4
72.36089	1.2
79.05480	30.1
81.03414	8.6
81.07042	47.5
82.71458	1.3
83.04955	8.0
83.08606	8.4
85.06535	2.4
85.78490	1.2
91.05467	34.4
91.63583	1.4
93.07033	29.8
95.01301	6.1
95.04951	9.8
95.08591	23.0
97.02872	6.1
97.06513	20.1
97.10161	7.6
105.07010	48.6
105.07724	2.4
107.04938	14.3
107.08579	15.3
109.06503	9.2
109.10130	8.6
111.08073	2.8
117.07011	13.1
119.08559	27.5
121.06511	3.9
121.10123	6.1
123.08058	4.5
125.09579	6.3
129.06984	4.1
131.08549	17.0
133.06464	2.4
133.10110	26.0
135.08041	5.4
135.11659	5.0
137.09634	2.1
141.06987	2.6
143.08536	4.1
145.06422	2.3
145.10092	14.3
147.08020	2.5
147.11656	12.9
149.09592	4.4
149.13243	2.7
151.11154	2.3
152.57407	1.4
155.08543	1.5
157.10114	2.9
159.11658	8.6
159.33974	1.3
161.09601	2.4
161.13237	6.3
163.11154	4.1
165.09145	1.9
165.12688	1.8
171.11646	3.2
173.13275	1.9
177.12698	2.7
179.14313	8.4
183.11684	2.1
187.14856	1.6
205.12279	2.2
209.33278	1.9
214.68733	1.3
223.13260	6.3
227.12840	2.4
229.19490	1.6
239.17836	1.7
257.19034	4.6
273.18527	9.6
275.20032	63.5
276.20471	2.3
291.19498	40.7
292.20047	1.8
293.21033	5.6
347.22363	2.5
349.12930	1.7
349.23669	31.2
350.24030	1.7
365.23209	28.1
621.41272	3.0
637.78284	1.5
639.42517	100.0
640.43066	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	835.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.9
65.03938	4.2
67.05493	75.8
69.03418	11.3
69.07053	25.1
70.89264	3.9
71.04978	5.9
72.46748	1.6
73.02894	2.9
79.05021	3.0
79.05479	55.1
81.03401	23.0
81.07043	58.6
83.04961	10.2
83.08603	16.8
85.02885	6.8
85.06529	9.7
91.05466	49.3
93.07028	42.6
93.07590	3.2
95.04953	63.9
95.08598	27.1
97.02859	9.5
97.06494	9.5
97.10155	9.3
99.04443	2.5
99.08037	2.2
103.05510	1.7
105.07009	33.5
107.04932	17.2
107.08573	24.6
109.02885	5.6
109.06504	51.5
109.10112	10.5
111.04428	5.1
111.08076	5.4
113.05977	23.7
115.05415	2.2
117.07000	22.2
117.94711	1.6
119.04922	2.3
119.08559	26.3
121.06492	10.6
121.10130	11.8
123.04446	4.4
123.08041	8.8
123.11702	4.3
125.05988	2.2
125.09610	7.2
127.03927	4.8
128.06230	5.4
129.06985	14.1
131.04935	3.1
131.08542	25.9
133.06487	8.1
133.10107	16.3
135.08037	37.2
135.11664	9.2
137.05942	1.9
137.09581	5.7
141.06857	2.2
142.07738	3.3
143.08539	11.7
145.06476	7.1
145.10065	16.4
147.08040	9.9
147.11668	8.5
149.09596	11.5
149.13220	4.2
151.07506	2.2
155.08536	5.5
157.10066	11.1
159.08043	7.4
159.11694	10.1
161.09619	11.5
161.13237	2.3
163.07562	1.6
163.11174	6.0
165.09149	2.4
165.12802	2.7
167.08568	2.1
169.10162	4.1
171.11690	5.1
173.04443	3.8
173.09593	4.2
173.13315	3.1
175.11211	5.0
177.12746	4.6
185.09644	2.4
185.13255	3.4
187.11153	4.2
189.11205	4.1
189.12775	3.3
193.12289	5.6
195.11662	2.9
197.13300	3.1
199.11229	2.9
199.14784	3.8
201.12917	2.0
205.12119	3.1
209.09593	1.5
211.11369	2.7
211.13226	2.9
215.14296	2.2
217.15904	7.9
223.13306	5.7
227.12729	7.8
243.15800	2.4
245.18942	2.4
249.14937	2.3
257.18890	2.2
267.15970	6.4
273.18436	39.1
275.20035	9.9
285.16901	1.8
289.17984	3.6
291.19489	100.0
299.19943	2.0
347.22092	11.0
349.23581	5.4
365.23157	25.2
367.24600	1.8
381.22705	2.1
425.11923	1.6
539.33673	4.5
557.34235	12.4
575.35468	2.7
619.39417	4.0
637.41107	16.8
655.41925	24.8
673.43298	2.2
719.40143	2.7
817.46234	1.9
835.48218	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	829.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.7
66.92813	0.9
67.05489	6.1
69.03423	3.8
69.07056	2.4
69.66379	6.6
73.02901	5.8
79.05494	3.9
81.03395	2.4
81.07056	6.5
83.08611	1.0
85.02884	4.7
91.03945	3.2
91.05479	3.4
92.51994	0.8
93.07021	5.0
95.08571	4.8
97.02894	6.5
98.21487	1.0
101.02388	1.5
105.07036	2.2
106.43156	0.8
107.08579	2.0
109.02883	1.6
109.10147	1.6
109.77342	0.9
119.08549	1.1
121.10133	2.1
127.03925	1.8
131.39459	0.9
133.10167	1.1
135.11722	1.2
169.87921	0.9
182.37093	0.9
199.07451	1.0
239.53827	0.9
242.65483	1.0
243.08592	1.3
318.56696	0.9
333.20419	2.0
335.21655	0.9
512.43823	0.9
519.29272	9.7
534.28967	1.0
535.27484	1.2
551.28339	2.9
817.57434	0.9
824.95874	1.0
829.50476	100.0
830.50818	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.1
67.05491	6.8
69.03413	5.1
69.07048	2.8
70.76024	2.9
71.01370	0.9
71.04979	1.0
73.02902	7.0
79.05504	6.0
81.03423	2.7
81.07059	9.2
83.04941	1.3
83.08614	1.4
85.02892	7.4
86.21982	0.9
91.03944	4.7
91.05466	3.2
93.07040	6.5
94.77020	0.7
95.04963	1.7
95.08578	5.8
97.02887	6.0
98.20725	0.9
99.04465	1.1
101.02387	2.7
105.07051	2.7
107.08608	3.8
109.10161	1.9
119.08562	2.4
121.06464	0.8
121.10153	2.7
127.03920	1.9
131.08621	1.1
133.10100	1.0
135.10612	0.8
135.11720	1.8
143.78740	0.9
145.10133	1.9
149.13264	1.0
185.04262	0.8
204.99092	0.9
243.08519	4.3
333.20331	4.8
335.26010	2.0
519.29260	11.3
551.28302	3.6
591.31311	1.1
684.71967	0.9
829.50610	100.0
830.50671	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.0
65.03922	0.4
67.05493	5.3
69.03420	4.2
69.07063	2.0
71.01340	0.6
73.02908	2.9
79.05487	7.0
81.03418	1.6
81.07047	5.4
83.01138	0.4
83.08624	1.0
85.02894	6.0
87.32483	0.3
88.17543	0.3
91.03945	3.6
91.05470	5.9
93.07035	7.5
95.04967	1.1
95.08583	3.1
97.02883	5.5
97.06540	0.6
97.10126	0.5
99.04458	1.2
101.02343	2.3
105.07016	5.6
107.08582	3.7
108.43546	0.3
109.02877	1.0
109.10162	1.5
113.00042	0.8
117.05551	0.5
117.07021	2.0
119.08579	4.0
121.10111	2.5
127.03931	1.5
129.06992	1.0
131.08582	1.5
133.10117	3.9
135.11693	1.6
143.08553	1.1
145.04938	0.5
145.10130	1.8
147.11682	2.4
149.13258	0.9
157.10155	0.8
159.11703	1.2
161.13283	1.0
169.02621	0.9
171.11714	0.7
185.04282	1.4
185.13467	0.5
203.05280	0.8
236.41545	0.4
241.07027	0.5
243.08411	4.6
259.20673	1.1
301.08878	2.5
313.09158	0.5
315.10553	1.3
317.20944	1.7
333.24280	0.5
355.13571	0.9
369.15253	0.9
382.43704	0.4
383.16742	0.7
385.17896	0.7
397.18344	0.8
465.20804	2.2
519.91425	0.4
525.23242	2.1
535.28772	16.9
537.22375	0.5
607.30719	2.4
649.35541	0.6
691.39935	0.5
759.42529	0.9
829.50598	100.0
830.51056	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	827.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.0
67.05504	4.2
69.03419	1.9
69.07052	3.2
69.54383	4.8
71.05000	0.5
73.02908	2.7
79.05477	4.1
81.03422	1.4
81.07042	4.6
83.04971	0.7
83.08619	1.1
85.02896	4.1
91.03951	2.4
91.05482	5.0
93.07041	6.7
95.04946	1.1
95.08573	3.8
97.02859	3.6
97.06500	1.0
99.04451	0.6
101.02381	1.3
103.03930	0.5
105.07006	5.7
107.04939	1.1
107.08578	1.9
109.10162	1.9
113.00059	0.7
117.06994	1.3
119.08550	4.2
121.10155	2.0
127.03925	0.9
131.08557	1.3
133.10101	3.7
135.11659	0.7
143.17477	0.6
145.10106	1.3
147.11691	1.9
149.09595	0.7
149.13255	1.0
159.11703	1.3
161.13295	1.1
163.11122	0.6
185.04259	0.9
224.88643	0.5
243.08347	2.7
275.20084	1.0
301.09009	0.9
315.10397	0.7
315.19299	4.9
369.15503	0.7
369.94562	0.6
371.21805	0.9
373.10941	1.1
465.21088	1.3
495.22641	0.7
515.56262	0.6
533.27161	9.0
535.28601	8.3
535.36237	0.8
536.28827	0.7
605.29718	1.6
751.73926	0.6
827.49005	100.0
828.49011	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	826.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.4
67.05499	77.2
69.03412	7.7
69.06738	2.9
69.07066	33.6
71.04990	5.5
71.20354	6.0
74.07655	2.3
79.05487	33.8
81.03397	7.4
81.07046	79.9
83.04971	8.1
83.08604	19.9
85.02901	4.1
85.06528	4.1
86.07494	2.2
88.42918	2.4
91.05467	31.8
93.07036	43.3
93.07600	4.7
95.04951	9.3
95.08587	44.7
97.02879	4.1
97.06526	12.1
97.10140	9.3
105.07014	21.6
107.04935	4.3
107.07888	3.3
107.08575	25.4
109.02874	2.5
109.06483	4.3
109.10142	17.8
111.08038	6.6
117.06976	9.0
118.16669	2.2
119.08589	16.8
121.06489	2.9
121.10113	16.7
123.08025	3.3
123.11648	6.9
125.09612	3.8
127.03891	2.7
129.05478	3.4
131.08542	10.8
133.10124	17.3
135.08044	7.3
135.11685	11.5
137.09628	3.0
143.08565	3.3
145.10083	11.4
147.11678	11.1
149.09615	5.7
149.13249	10.8
157.10104	3.1
159.11665	7.8
159.33511	2.4
161.13248	6.7
163.11156	4.0
165.12781	2.6
166.34410	2.3
172.92172	2.6
173.11639	2.5
177.12758	3.8
177.65294	2.4
187.23341	2.7
195.13821	5.2
255.15736	6.1
257.19046	3.8
263.23657	3.5
269.17487	19.7
275.20090	19.9
335.25958	5.2
337.27316	100.0
338.27771	2.4
349.23630	15.4
356.14508	2.5
367.24438	3.2
397.30594	2.6
517.39001	19.6
531.32849	3.9
531.40448	68.4
532.41089	3.1
611.46570	24.2
629.47467	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	824.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	3.9
65.03889	2.6
67.05495	49.3
69.03408	3.1
69.07065	18.8
71.04993	3.1
79.05480	45.9
81.03397	4.3
81.07051	49.3
83.04940	3.5
83.08613	10.9
85.02882	3.5
90.04341	2.5
91.04922	3.4
91.05466	44.8
93.07030	47.8
95.04929	8.2
95.08595	38.7
97.06495	4.9
97.10139	6.0
105.07019	49.7
107.04913	3.2
107.08050	2.1
107.08590	27.9
109.10136	11.8
111.08028	2.8
115.05402	3.2
117.07009	22.0
117.55943	2.3
119.08557	37.5
121.10134	17.5
123.11673	6.9
125.09661	2.8
128.06177	3.5
129.06989	14.6
131.08539	27.2
133.10118	30.0
135.11642	12.6
137.09630	3.5
141.06937	6.1
142.07732	5.1
143.08488	16.1
145.10091	31.5
147.11644	17.9
149.13261	6.0
155.08534	9.2
157.10127	18.8
159.11685	23.4
161.13243	9.2
167.08524	5.7
169.10164	12.7
171.11665	14.2
173.13242	8.9
175.14764	3.5
179.08485	2.9
181.10103	6.9
183.11705	13.0
185.13196	9.2
187.14751	3.6
189.16260	4.6
193.10188	3.8
195.11633	9.4
197.13087	12.1
199.14777	9.9
201.16302	3.3
207.11667	2.9
209.13187	6.9
211.14847	4.6
213.16356	5.7
221.13162	3.7
223.14720	3.1
225.16368	5.1
227.18039	2.6
229.19321	3.3
239.17885	4.9
254.41748	2.3
257.18991	3.3
259.20572	5.6
275.19916	3.1
323.23529	2.7
325.63223	2.6
333.24298	7.3
335.25769	3.6
351.26590	2.6
419.00906	2.3
447.31815	2.8
511.37582	3.1
515.37109	3.7
517.40143	12.0
535.40814	5.4
591.44000	9.9
609.45056	100.0
610.45129	3.5
771.49683	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	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.7
59.11944	0.8
61.02912	2.8
65.03929	4.9
65.04212	0.9
66.04678	0.9
67.05495	94.7
67.53764	0.9
68.05848	1.1
69.03419	9.8
69.07059	33.0
70.15091	5.2
71.04990	4.4
71.08623	1.5
73.02913	1.5
79.05482	79.6
81.03403	11.6
81.07043	100.0
83.04967	13.4
83.08615	12.2
85.02898	6.0
85.06522	4.2
87.04441	1.2
91.03938	1.6
91.05466	57.6
93.07030	86.3
94.07345	1.2
94.53697	0.9
95.04958	13.8
95.08588	57.6
97.02895	6.2
97.06505	11.7
97.10155	10.6
99.04423	2.3
99.08076	3.1
103.05439	2.0
105.04501	1.4
105.07012	44.1
105.07725	2.1
107.04941	7.4
107.08572	46.9
109.02806	2.3
109.06499	9.4
109.10143	23.7
111.04451	1.6
111.08081	5.0
113.09586	0.9
115.05444	2.7
117.06998	18.6
119.08564	31.7
119.09409	2.1
121.06499	3.7
121.10124	30.1
123.08032	3.8
123.11704	8.4
125.09573	7.0
127.03909	3.6
128.06203	2.7
129.05424	1.6
129.06979	6.9
130.07706	1.3
131.08545	27.2
133.06425	1.9
133.10107	23.5
135.08028	3.8
135.11679	20.4
137.09593	3.7
137.13197	1.5
139.11142	1.7
141.07007	1.9
142.07780	1.1
143.08548	6.9
145.04973	2.0
145.06424	2.1
145.10088	20.5
147.08020	2.0
147.11662	13.8
149.09592	10.4
149.13222	11.5
151.11177	2.4
153.09166	1.5
153.12753	1.1
155.08514	4.0
157.10080	6.0
159.11674	14.4
161.09576	2.2
161.13214	6.6
163.11110	6.0
163.14822	3.1
165.12735	1.4
169.10103	2.7
171.10359	1.0
171.11661	5.1
173.11847	1.7
173.13205	7.9
175.14803	2.3
177.12746	3.6
177.16309	1.4
179.14325	2.2
181.12311	1.0
183.11691	2.5
185.13235	2.5
187.14780	4.0
189.11211	3.2
189.16399	1.3
191.14265	1.1
193.12105	1.1
195.11870	1.2
195.13760	2.8
197.13257	2.2
199.14799	2.2
201.16412	1.6
211.14819	1.6
213.16418	1.8
215.17906	1.3
217.15750	1.1
227.12735	11.2
228.63037	1.1
229.14261	1.7
229.19452	2.2
239.17969	4.0
241.19716	1.4
243.21057	3.3
247.20560	2.2
253.17876	1.1
255.15894	6.6
257.19040	9.7
259.20615	1.9
261.22046	9.3
267.15778	1.4
269.17450	17.6
275.20013	33.0
277.21680	1.8
291.19348	1.6
293.21066	3.4
299.23563	1.2
311.43698	0.9
317.24695	2.7
331.22412	1.7
333.24228	2.8
335.25760	96.0
336.26099	2.9
349.23666	31.8
367.24835	10.4
371.16653	1.1
413.21402	1.2
418.12057	1.1
437.34357	1.0
487.34763	1.1
489.35599	1.9
505.35046	1.0
515.37244	16.4
529.38812	53.3
530.38684	2.1
546.41315	1.6
569.41571	1.9
609.44940	26.9
610.44165	1.1
618.71411	1.1
627.46094	6.1
673.43335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	1.6
65.03920	4.5
67.05492	65.2
69.03400	3.8
69.07056	26.8
70.82994	3.0
71.04974	3.1
73.02898	1.0
79.05480	49.2
79.25155	1.0
81.03388	3.5
81.07041	100.0
82.07378	1.9
83.04950	3.5
83.08600	12.0
85.02875	2.6
85.06527	3.7
91.03935	1.3
91.05464	37.7
91.18835	0.9
93.07029	50.9
94.07352	1.3
95.04952	10.2
95.08589	47.2
97.02858	1.8
97.06512	8.4
97.10151	3.7
99.08049	2.3
105.04582	1.0
105.07009	31.6
106.07295	1.0
107.04932	7.8
107.08574	25.9
109.06499	21.5
109.10139	18.0
111.08087	5.4
115.05408	1.1
115.66540	0.9
117.07001	9.8
119.08557	24.6
121.06463	3.6
121.10123	21.6
123.08072	6.2
123.11701	7.6
125.09613	1.1
129.06966	2.4
131.08553	16.1
133.10101	19.9
135.08020	3.1
135.11685	11.7
137.09584	2.7
137.13245	1.7
142.07712	1.3
143.08568	1.7
145.10107	13.0
147.08061	1.1
147.11650	14.1
149.09581	6.4
149.13200	9.0
151.11137	2.7
155.08394	1.1
157.10085	2.8
159.07947	1.2
159.11690	7.9
161.13216	4.6
163.11154	4.8
163.14796	2.1
165.12732	4.0
169.10100	2.0
171.11703	3.2
173.13251	5.2
175.11197	2.3
177.12721	1.4
179.14238	1.4
183.11641	1.2
185.13329	1.4
187.11238	1.7
187.14818	2.4
193.12257	1.1
197.13243	1.9
201.16341	1.3
229.19514	1.0
239.17845	1.5
247.20511	1.7
257.18994	4.4
259.20438	1.4
261.22128	5.3
267.15900	1.5
269.17310	1.0
275.20032	42.4
276.20236	1.4
277.21564	1.1
293.21109	12.4
317.24408	1.8
335.25745	99.2
336.26099	4.2
349.23688	23.0
367.24710	36.1
529.38379	1.5
535.40790	1.6
553.42419	1.8
609.45068	36.7
610.44867	3.8
627.46100	39.0
628.45740	3.6
711.30725	1.2
753.73773	1.0
777.40381	1.3
800.76782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04958	1.6
61.02900	2.1
61.05905	1.8
65.03926	5.8
65.62808	1.6
67.05495	74.1
69.03419	7.1
69.07060	29.2
69.42950	10.6
69.43388	8.0
71.04984	4.8
72.22079	1.7
79.05485	69.6
80.05836	2.3
81.03403	4.4
81.07044	67.8
83.04971	5.8
83.08598	22.6
85.02914	3.7
85.06523	2.9
91.05466	40.6
93.07031	65.6
95.04941	14.1
95.08590	45.9
97.02905	2.3
97.06503	8.9
97.10159	33.2
97.10747	1.3
99.08096	1.9
105.07020	37.9
107.04955	7.8
107.08575	68.5
109.02867	2.3
109.06505	6.5
109.10144	20.9
111.08067	4.2
113.09651	2.2
115.05421	2.4
117.07009	15.7
119.08562	29.4
121.10127	21.9
123.08114	3.3
123.11675	5.6
125.09615	33.1
127.03870	4.7
128.06209	2.3
129.06976	4.5
131.08524	20.5
133.06503	1.8
133.10106	21.5
135.08032	6.5
135.11667	15.9
137.09586	2.3
137.13229	2.6
143.08557	3.9
145.10095	22.5
147.11655	16.4
149.09578	10.2
149.13235	6.2
153.09032	2.7
157.10162	3.4
159.11674	14.0
161.13217	10.6
163.11252	8.5
169.10023	2.8
171.10185	3.2
171.11719	6.3
173.13245	9.3
175.14763	3.4
177.12733	3.5
179.14246	3.0
183.11673	3.1
185.13289	2.9
187.14774	2.9
189.11217	16.2
191.14604	2.1
197.13293	2.0
201.16374	1.8
204.21080	2.2
227.10486	1.3
227.12737	38.2
229.19528	1.9
239.18094	2.7
241.19511	3.5
243.20996	2.2
245.13757	3.3
257.18994	7.9
258.32108	2.0
259.20526	4.7
261.22128	13.1
275.20035	47.1
293.21033	5.4
317.24704	2.3
331.22519	3.3
333.24152	4.3
335.25757	100.0
336.26065	3.9
349.23679	46.5
351.06174	1.9
351.25217	2.9
389.17975	3.7
431.31491	2.2
487.33801	2.3
505.35022	20.5
517.40234	2.6
535.41687	1.9
551.87860	1.7
608.66571	2.2
609.45087	92.2
610.45209	6.2
627.45880	13.1
649.39191	2.8
825.47546	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.2
57.07067	3.9
61.02902	5.7
65.03925	7.4
67.05499	95.9
69.03410	8.5
69.07064	41.6
69.75287	8.3
69.75700	10.7
71.04977	6.7
79.05489	84.4
81.03403	12.5
81.07049	100.0
82.07421	5.9
83.04980	17.0
83.08610	19.9
85.02916	7.4
85.06561	7.5
86.13338	3.1
87.18210	2.5
91.05469	92.9
93.07030	81.6
94.07368	4.7
95.01340	2.9
95.04960	19.2
95.08602	59.4
97.02885	7.3
97.06512	17.8
97.10136	13.6
99.08087	5.9
105.07020	80.9
106.07381	4.3
107.04951	9.3
107.08573	61.6
107.09229	4.9
108.31792	2.7
109.06496	8.2
109.10141	25.0
111.08104	8.6
113.09624	4.4
114.30215	2.3
115.05478	3.4
117.07008	31.3
118.07311	2.8
119.08570	62.1
121.06491	7.0
121.10123	32.2
123.08019	6.4
123.11697	8.9
125.09637	10.5
128.06190	5.9
129.05516	3.6
129.06985	19.3
131.08546	41.1
133.06502	3.3
133.10115	48.1
135.08066	4.3
135.11673	20.7
137.09563	5.4
141.06987	7.6
142.07744	4.6
143.08580	22.7
145.06520	3.1
145.10114	32.8
147.07982	3.9
147.11691	43.7
149.09627	11.9
149.13260	12.2
151.11211	6.7
155.08545	10.7
157.10129	19.9
159.11674	25.8
160.12022	3.1
161.13228	20.1
163.11197	8.9
163.14812	3.0
165.12714	3.2
167.08655	3.8
169.10123	11.2
171.11697	18.3
172.78571	2.6
173.13261	12.6
175.11221	3.6
175.14854	9.0
177.12682	5.1
179.14328	2.8
183.11711	10.3
185.13176	14.8
187.14816	6.5
189.11240	5.6
190.28133	2.7
193.10086	3.8
195.11743	7.6
195.13841	5.2
197.13174	13.4
199.14835	8.6
207.11778	4.8
209.13266	5.6
211.14883	5.2
213.16458	3.2
215.14287	2.9
215.17931	4.1
223.14883	3.4
227.12756	5.4
239.18031	4.8
241.19498	18.9
255.15811	5.5
257.19058	8.9
259.20547	41.0
261.21918	2.7
267.16019	2.9
269.17365	12.6
273.18558	4.6
275.20041	33.8
276.20319	6.8
289.21613	3.1
293.21036	3.8
303.22830	2.7
315.23260	5.7
333.24152	41.0
335.25916	3.5
349.23962	18.0
350.23990	6.2
351.25558	4.2
361.54022	2.8
367.24835	9.2
417.31305	4.4
435.32321	6.1
453.33719	3.5
513.35760	14.1
527.37354	31.0
538.17639	3.3
567.39563	3.3
607.43475	24.1
625.44519	30.8
642.43951	4.9
660.45483	4.5
669.63312	3.0
748.21185	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	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.3
57.07055	3.3
61.02906	2.7
65.03922	4.3
67.05497	58.9
69.03413	4.0
69.07060	28.6
71.04974	5.2
71.69981	1.7
73.06551	1.5
79.05483	61.8
80.05828	1.5
81.03419	5.7
81.07047	100.0
82.07373	2.0
83.04973	7.8
83.08611	13.6
85.02881	4.1
85.06523	4.8
91.05464	70.8
93.07031	59.7
95.04963	15.0
95.08593	43.1
96.08908	1.5
96.95194	1.4
97.02859	1.8
97.06520	10.1
97.10159	2.8
97.36849	1.2
99.08070	3.7
103.05418	2.4
105.07020	73.3
106.07320	1.1
106.36790	1.2
107.04948	9.0
107.08581	32.9
108.08943	1.3
109.06509	20.0
109.10153	15.7
110.06836	1.2
111.08057	3.9
114.76248	1.2
115.05453	1.8
116.48705	1.1
117.06999	22.2
119.08567	55.8
120.08850	1.7
121.06493	6.2
121.10133	26.8
123.08046	7.4
123.11694	7.4
125.09608	2.6
127.07532	1.7
128.06183	1.9
129.06993	11.5
130.07814	1.3
131.08549	29.6
133.06488	2.0
133.10110	41.8
135.08018	5.7
135.11688	16.0
137.09583	5.6
137.13313	1.5
139.11218	1.5
139.91516	1.2
141.06947	2.8
142.07748	1.9
143.08557	8.9
145.10114	23.2
147.08037	4.5
147.11668	45.3
149.09636	10.7
149.13228	13.2
151.11159	4.1
155.08533	3.1
157.10127	11.1
159.08090	1.8
159.11661	20.1
161.09618	2.7
161.13242	19.7
163.11157	9.2
163.14787	2.9
165.12708	4.9
169.10080	4.5
171.11687	10.7
173.09595	1.6
173.13264	10.0
175.11218	5.9
175.14832	8.5
177.12708	3.6
183.11630	2.2
185.13246	8.5
187.14806	3.6
188.15103	1.6
189.12720	2.9
191.14215	1.6
193.12216	2.8
195.11671	2.4
197.13290	2.7
199.14848	3.6
201.16321	3.2
203.17926	2.0
205.15839	1.3
211.14882	1.7
213.16447	2.2
215.17853	2.5
229.19508	1.5
231.21046	4.0
239.17876	3.9
241.19482	19.4
247.20593	3.4
257.18939	8.0
259.17862	2.6
259.20544	48.1
267.15707	1.5
275.20023	49.2
275.23041	2.9
276.20438	3.6
277.21558	3.7
293.21017	14.5
294.21310	1.5
303.68445	1.2
303.71439	1.3
315.23364	5.8
333.24207	82.7
334.24521	4.5
349.23737	16.2
351.25247	4.3
367.24792	47.8
501.36435	1.5
509.62155	1.3
515.37830	3.0
533.40082	6.7
551.40588	5.5
600.38019	1.3
607.43689	10.9
625.44537	32.1
626.44244	2.2
643.45178	5.0
822.51190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	6.1
65.03950	3.1
67.05494	45.7
69.03420	1.5
69.07058	32.9
70.05922	2.3
70.06323	7.2
71.04991	2.6
73.63070	1.3
77.03883	1.6
79.05480	48.3
81.03400	7.4
81.07043	71.9
82.07372	1.5
83.04962	6.4
83.08601	8.2
85.06554	2.0
91.05466	77.4
92.05785	2.4
93.07034	50.2
95.01301	6.8
95.04955	11.5
95.08600	37.6
97.06517	19.2
97.07108	2.1
97.10150	2.2
98.20813	1.8
103.05486	1.8
105.07013	97.5
107.04922	13.3
107.08583	27.2
109.06518	6.9
109.10135	10.9
111.08047	2.6
115.05428	1.9
117.07003	20.7
119.08563	55.0
121.06470	3.1
121.10125	15.3
123.04443	2.0
123.08049	3.6
123.11692	3.5
125.09606	2.7
128.06190	1.7
129.07004	7.4
130.07741	2.0
131.08551	30.6
133.10115	46.5
135.08052	3.7
135.11682	11.0
137.09596	1.5
141.06955	1.8
143.08553	8.0
145.06435	2.9
145.10089	21.9
147.11665	29.9
149.09612	5.1
149.13171	7.6
151.11122	1.7
155.08530	3.2
157.10112	8.5
159.11662	19.5
161.09573	1.5
161.13252	12.9
163.11215	3.9
163.14696	2.0
165.12740	2.3
169.10115	4.4
171.11673	8.8
173.13242	6.4
175.14825	7.0
177.12737	2.8
179.14281	9.5
179.64496	1.5
183.11678	2.7
185.13274	4.4
187.11194	2.1
187.14848	3.4
188.15176	1.5
197.13269	2.0
199.14848	1.7
201.16469	2.1
205.05838	1.2
219.17274	2.3
229.19435	2.1
231.21013	2.3
241.14204	1.8
241.19476	16.3
247.20598	1.6
257.18961	7.8
259.20557	25.9
275.20020	69.5
276.20401	2.8
277.21603	1.6
279.15854	2.4
293.21069	3.2
315.23175	11.2
333.24188	51.7
334.24429	2.2
349.23669	50.6
350.24121	2.1
351.25308	1.8
513.35712	2.7
533.39990	2.4
551.41028	1.6
607.43512	100.0
608.43689	6.5
625.44525	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	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.4
57.07059	2.9
65.03927	2.4
67.05494	59.2
69.03419	3.7
69.07060	18.5
70.15724	6.9
71.04988	3.1
73.06532	1.3
73.11684	1.2
79.05022	2.1
79.05481	42.0
81.03402	5.2
81.07045	65.9
83.04976	11.2
83.08588	8.4
85.02892	2.5
85.06515	5.2
91.05465	47.3
93.07030	46.4
95.04948	10.9
95.08008	2.0
95.08590	36.6
95.87529	1.4
97.06521	7.5
97.10150	4.8
99.08082	2.6
105.06331	2.5
105.07011	36.5
107.04933	7.1
107.08572	34.7
109.06493	7.5
109.10133	44.3
111.04426	2.1
111.08044	3.7
113.05992	1.6
115.05450	1.9
117.06985	12.2
119.08559	21.4
121.06503	6.8
121.10120	19.4
123.08037	5.4
123.11690	8.1
125.09627	3.9
127.07526	2.7
128.06168	2.2
129.06984	3.8
131.08545	17.2
133.06459	5.8
133.10104	58.8
135.08044	9.4
135.11676	13.8
137.09612	4.1
143.08531	7.0
145.10146	10.3
147.08009	3.3
147.11681	9.1
149.09648	8.0
149.13242	5.5
151.11163	32.8
157.10103	5.1
159.07986	2.4
159.11644	9.3
161.09618	9.1
161.13194	5.3
163.11153	3.0
163.14781	3.9
164.13397	1.4
165.76044	1.2
169.10092	2.8
169.12270	8.4
171.11661	3.6
173.13188	4.4
175.11089	2.7
175.14806	3.0
177.09090	2.6
179.10663	2.1
185.13249	3.0
186.75703	1.3
187.14807	2.2
189.12712	4.0
191.14359	1.5
193.12204	1.6
195.11639	2.1
215.12758	8.7
223.13191	2.4
227.18048	2.2
237.16266	1.5
243.21037	4.2
245.18947	8.2
251.12709	4.4
253.14322	100.0
254.14592	3.7
255.17322	5.5
259.20517	2.3
261.22110	13.1
263.20084	7.1
271.15408	3.8
273.18436	39.2
275.20016	4.4
291.19479	39.1
292.19763	1.4
309.20612	5.6
317.24628	2.6
320.25790	7.3
333.24240	2.3
335.25735	71.2
336.25922	2.3
347.22101	15.8
349.23785	1.8
365.23175	56.3
365.27777	3.1
366.23434	4.0
383.24219	1.6
384.14035	1.5
405.29883	2.6
421.76547	1.4
428.12720	1.4
439.31961	1.8
457.32684	1.8
513.35529	7.8
531.36938	11.3
532.36560	1.9
600.45013	1.6
607.43549	6.8
625.44550	79.6
626.44727	6.9
822.47937	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	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	9.5
61.58544	2.0
67.05497	67.4
69.03394	3.8
69.07056	17.9
71.04965	5.2
71.71570	3.7
79.05481	41.6
81.03412	3.2
81.07045	70.9
83.04953	10.6
83.08604	8.1
85.06505	4.7
85.18365	2.3
89.50130	2.6
91.05473	52.2
93.07034	51.2
95.04972	11.1
95.08590	44.8
97.06501	7.1
97.10133	2.7
105.07007	36.3
106.52209	2.3
107.04922	4.1
107.08574	45.6
109.06505	6.1
109.10139	53.3
111.08064	5.3
113.05992	3.8
117.07014	8.8
119.08563	16.1
121.06480	4.4
121.10113	17.9
123.07977	3.3
123.11687	10.3
125.09582	2.9
129.07002	2.5
131.08557	11.7
133.06451	2.9
133.10104	75.3
135.08029	5.8
135.11716	12.9
137.09578	4.3
143.08525	4.5
145.10109	10.2
147.08040	3.7
147.11670	9.7
149.09627	5.2
149.13274	7.1
151.11169	35.0
157.10098	2.8
159.11678	6.8
161.09518	5.9
161.13226	5.4
163.11243	2.6
169.12164	6.0
171.11694	5.0
173.13278	4.0
175.11191	3.1
175.14882	2.8
177.12793	2.5
181.12024	2.3
185.13226	4.2
215.12718	3.7
227.18036	3.7
243.21135	3.7
245.19008	3.9
253.14326	100.0
254.14558	2.7
261.22113	12.4
263.20032	4.9
273.18494	19.4
277.21793	2.8
291.19449	24.7
309.20566	4.0
335.25729	83.4
336.26022	4.5
347.22073	8.5
365.23254	29.6
513.35461	6.6
531.36713	28.0
532.36786	3.7
607.43207	5.3
625.44464	52.5
626.44611	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	822.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	9.1
57.07043	2.1
59.04983	1.1
61.02900	0.9
62.97521	0.6
65.03938	3.1
67.05492	56.6
69.03421	9.6
69.07056	29.6
69.35269	4.5
69.35697	2.6
71.04954	2.6
77.03871	1.0
79.05479	44.7
81.03406	4.9
81.07042	53.7
83.04965	5.8
83.08173	1.0
83.08606	11.3
85.02853	1.4
85.06509	1.2
91.05464	27.6
93.07025	42.8
94.07334	0.7
95.04957	11.1
95.08588	36.8
96.08886	0.7
97.02878	9.6
97.06508	3.5
97.09577	1.0
97.10149	12.7
99.08074	1.1
103.05458	0.7
105.07011	22.6
107.04934	6.2
107.08569	24.6
109.06499	3.8
109.09418	0.9
109.10139	16.0
111.08036	2.3
115.05414	1.2
116.06152	0.7
117.06992	8.9
119.04883	1.9
119.08561	15.7
120.11021	0.6
121.06493	3.2
121.10117	17.3
123.04352	1.1
123.08062	4.1
123.11674	3.3
125.09615	9.0
128.06235	0.7
129.06924	3.0
130.07768	0.6
131.08545	12.4
133.06468	3.3
133.10095	9.3
134.07249	1.4
135.08041	3.4
135.11682	8.5
137.09543	1.7
137.13179	1.0
143.08543	3.4
145.06398	0.9
145.10092	8.9
147.07999	5.6
147.11665	5.2
149.09573	2.6
149.13216	5.0
151.11087	1.0
155.08534	1.2
157.10101	2.6
159.11656	5.6
161.09573	2.7
161.13199	2.5
162.10303	0.8
163.11124	2.1
163.14795	1.3
165.09062	2.0
165.12747	1.3
169.10060	0.8
171.10257	0.9
171.11664	1.7
172.54512	0.6
173.09456	0.6
173.13223	2.7
175.11168	1.8
175.14790	1.2
177.12730	1.7
183.11621	0.7
187.14771	1.3
187.90167	0.7
189.11201	4.6
193.12238	0.6
195.13779	0.8
199.14763	0.9
205.12204	1.4
211.13185	1.4
223.11060	1.0
223.13252	18.0
227.12668	2.8
227.17886	1.2
243.21030	2.2
245.18927	1.7
249.14853	2.4
255.17476	0.9
259.20651	0.8
261.22107	8.8
263.20197	1.1
267.15799	0.7
273.18442	12.6
275.20145	1.0
285.16901	0.9
291.19492	100.0
292.19858	2.8
302.40863	0.7
309.20493	1.2
317.24835	2.9
333.24036	0.8
335.25745	80.9
336.26083	2.0
347.22046	1.9
365.23172	40.5
366.23499	0.9
502.16531	0.7
545.38379	2.7
607.43542	2.1
625.44519	76.2
626.44763	5.2
814.98248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	0.6
57.03427	5.5
58.07729	0.4
59.04995	0.6
61.02907	1.1
65.03918	2.0
67.05494	39.6
69.03419	7.2
69.07056	24.3
70.02859	3.3
71.02959	0.5
71.04967	1.6
75.46700	0.5
77.03901	0.5
79.05482	28.8
81.03394	3.6
81.07044	34.1
82.07393	0.5
83.04955	3.3
83.08602	8.4
85.02901	0.6
85.06461	0.5
85.23918	0.5
91.05461	17.9
93.07030	27.7
95.01315	0.5
95.04956	8.6
95.08588	22.1
97.02874	6.8
97.06515	3.5
97.09567	0.9
97.10152	10.4
99.08058	0.5
103.05462	0.6
105.07017	13.2
107.04945	4.9
107.08578	15.5
109.02882	0.6
109.06478	2.2
109.10135	12.3
111.04432	0.8
111.08044	2.3
113.09617	0.5
115.05412	0.7
117.06989	5.9
119.04913	0.8
119.07725	0.9
119.08558	12.9
121.06470	2.9
121.10131	10.4
123.08059	2.9
123.11663	2.3
125.09615	7.3
128.06233	0.8
129.06972	2.9
130.07767	0.9
131.08537	8.2
133.06442	2.9
133.10112	5.9
134.07188	0.8
135.08012	2.3
135.11681	6.0
137.09595	2.2
137.13277	0.5
143.08568	3.0
145.06505	0.7
145.10092	6.2
147.08052	4.5
147.11679	3.8
149.09570	1.5
149.13219	3.1
149.93898	0.5
151.11165	1.4
157.10120	2.4
159.08092	0.7
159.10527	0.6
159.11676	3.2
161.09587	1.4
161.13210	2.4
163.11148	1.4
163.14789	0.8
165.09065	1.4
169.10040	1.1
171.11577	1.2
173.11852	0.6
173.13226	2.8
175.11159	1.6
175.14825	0.7
177.12697	1.6
177.16309	0.8
179.10699	0.7
181.12091	0.7
185.13217	1.0
187.14732	1.0
189.11203	3.5
189.12685	0.7
193.12225	0.7
193.66689	0.5
195.11577	0.6
195.13751	0.6
199.14786	0.8
203.10666	0.5
205.12231	1.1
211.13283	0.9
212.32639	0.5
216.97870	0.5
223.13245	15.6
223.15321	0.9
227.12721	4.4
227.17824	0.7
243.21069	2.5
244.90034	0.5
245.18967	1.6
249.14725	2.4
255.17407	0.9
261.22104	8.8
267.15860	0.9
273.18454	12.4
274.18573	0.8
275.20108	1.4
291.19495	100.0
292.19846	3.2
309.20447	0.7
317.24771	1.7
320.25500	0.6
333.24194	0.6
335.25751	62.7
336.26050	3.3
347.22177	1.5
365.23190	52.9
366.23633	2.6
496.66806	0.8
545.38391	3.2
551.40405	0.8
607.43475	2.0
625.44525	57.9
626.44659	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	822.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	21.5
57.07055	2.2
59.04979	1.4
61.02912	3.1
65.03924	5.2
67.05495	78.2
69.03416	12.0
69.07059	28.1
69.19083	1.1
71.04988	10.0
77.03908	1.5
79.05482	70.2
81.03403	100.0
81.07043	98.8
82.03711	1.8
82.07364	1.4
82.79781	1.2
83.04966	25.0
83.08607	36.5
85.02881	6.1
85.06538	5.2
91.03944	2.1
91.05464	62.7
92.05791	1.7
93.06432	2.5
93.07028	53.3
94.07356	1.5
95.04951	49.9
95.08587	34.4
97.02869	8.9
97.06512	19.3
97.10155	34.8
99.04454	3.6
99.08071	3.9
103.03916	1.2
103.05435	2.1
105.07014	51.0
107.04932	20.8
107.08576	38.7
109.02845	1.5
109.06497	16.5
109.10134	27.3
111.04427	18.3
111.08060	18.3
113.05987	2.7
115.05433	4.5
117.06993	19.8
117.07772	1.3
119.04939	3.2
119.08563	46.0
120.30286	1.2
121.02854	1.5
121.06491	14.6
121.10123	25.4
123.04422	3.6
123.08042	27.9
123.11688	5.3
125.05974	3.2
125.09615	29.4
127.03891	1.8
128.06207	3.8
129.06995	18.1
131.04849	2.2
131.08548	33.1
133.06477	9.3
133.10115	40.9
135.08026	13.4
135.11668	13.3
137.05971	3.0
137.09598	11.5
139.11198	3.1
141.06981	4.8
142.07793	5.1
143.08534	11.2
143.10649	1.2
145.06465	6.6
145.10103	22.0
147.08029	15.3
147.11667	18.6
149.09596	14.5
149.13239	4.5
151.07497	2.0
151.11176	11.6
153.07034	1.4
153.09085	7.8
153.12730	5.9
155.08546	4.3
157.06491	2.0
157.10124	19.3
159.08054	3.4
159.11668	11.4
161.09598	17.3
161.13216	1.8
163.07529	1.6
163.11139	24.4
165.09129	4.6
165.12775	2.0
167.08540	2.0
169.10104	4.4
171.08086	2.1
171.10252	2.1
171.11681	5.5
173.09581	6.5
173.13144	3.2
175.11139	14.7
177.12701	3.0
179.10661	4.4
181.10117	2.4
181.12222	8.7
183.11684	2.6
185.09625	3.1
185.13213	5.3
187.11208	3.7
189.09343	1.8
189.11189	21.1
189.12730	2.1
191.10643	6.1
191.14317	1.5
193.12213	29.9
195.11807	2.0
195.13759	2.1
197.13269	2.1
199.14880	1.6
203.14290	1.9
205.12282	2.1
207.11627	2.2
207.13771	2.1
209.11598	1.8
209.13329	1.6
211.13103	1.7
215.12732	3.6
219.13763	4.7
221.15347	1.7
223.13283	4.6
225.12798	1.7
227.12720	20.9
227.17801	1.8
228.13029	1.4
229.14273	2.5
231.17400	2.1
245.18971	5.7
249.14813	5.1
253.14346	5.3
255.17450	3.6
267.15875	95.4
268.16336	2.6
269.17490	5.7
273.18460	39.1
274.18692	1.9
275.20013	2.2
282.33716	1.2
283.15338	5.3
289.17865	1.7
291.19492	66.1
292.19418	3.0
299.14856	1.7
309.20557	11.1
313.21588	3.6
317.15860	18.6
329.21124	2.8
331.22757	1.5
341.20984	1.4
347.22086	12.2
349.23544	2.4
365.23199	32.7
366.23331	2.0
383.24286	18.6
403.24603	1.9
407.24872	1.3
433.25858	2.8
443.27905	1.9
445.29782	1.7
447.27771	6.6
459.27258	2.5
461.29202	6.0
463.30551	12.6
464.30603	1.4
465.30057	6.8
483.30820	4.9
495.29752	1.5
501.32083	2.6
521.32715	2.1
539.33588	18.7
543.33209	2.1
557.34650	93.0
558.34894	8.0
561.33655	2.4
575.35681	56.3
575.44702	3.1
576.35864	3.4
589.34033	2.9
599.35077	2.2
607.34705	13.5
625.35590	5.8
692.33649	1.5
822.48590	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	821.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	8.7
57.07046	3.3
61.02907	7.0
65.03924	4.0
67.05493	61.3
69.03407	9.0
69.06688	1.9
69.07055	24.5
70.42361	6.9
71.04956	6.0
73.02901	3.7
77.03885	2.0
77.77558	1.6
79.05474	53.2
80.05807	1.8
81.03401	14.7
81.07041	100.0
83.04966	10.6
83.08602	15.4
85.02875	9.5
85.03683	1.7
85.06521	3.9
91.03947	1.9
91.05463	57.2
91.06040	3.2
93.07026	46.5
95.04955	20.1
95.08590	35.8
97.02856	9.0
97.06515	24.5
97.10148	8.7
99.04383	2.4
99.08066	3.0
103.05450	2.5
105.07008	49.1
107.04919	16.7
107.08578	32.9
109.02843	1.8
109.06500	14.8
109.10133	18.2
109.95316	1.7
111.04418	2.3
111.08054	5.7
112.31981	1.5
115.05434	3.3
117.06987	21.4
119.08552	37.5
120.08864	1.5
121.06465	8.6
121.10105	21.0
123.08056	8.7
123.11654	7.8
125.09594	9.8
127.03899	3.2
128.06204	2.1
129.06985	8.2
131.04848	1.9
131.08548	22.5
133.06474	2.6
133.10094	29.7
135.08025	10.1
135.11632	11.1
137.09578	5.8
139.07545	1.6
139.11101	2.0
141.06924	2.8
143.08507	6.9
145.06436	2.3
145.10106	18.2
147.08003	2.6
147.11658	20.8
149.09615	18.1
149.13176	8.3
151.11142	4.9
153.09033	2.6
155.08527	3.5
157.10162	7.5
159.11667	12.6
161.13185	6.5
163.11140	10.7
165.12709	6.4
169.10112	5.0
171.10176	2.9
171.11630	5.4
173.04362	3.0
173.09563	1.9
173.13263	6.7
175.11153	5.9
177.12738	5.2
179.14317	3.0
183.11620	3.9
185.13219	2.7
187.11133	1.9
187.14777	2.0
189.11156	4.9
189.12741	3.0
193.12170	2.1
197.13187	3.9
205.12109	2.1
223.13051	2.1
227.12668	9.6
229.19484	3.9
233.93939	1.8
239.17900	5.4
247.20480	7.3
253.14613	1.8
253.17798	2.2
257.18909	12.7
258.04221	1.6
267.15686	3.7
269.17365	2.3
275.20007	98.2
276.20325	2.8
293.21017	17.2
303.67377	1.7
331.22470	3.0
349.23663	63.3
350.24026	3.7
367.24744	26.9
391.24646	1.7
519.33179	2.8
543.36340	7.9
544.36865	1.9
545.38556	2.5
549.39282	2.9
561.37640	4.4
623.43158	16.1
624.43164	1.9
641.44055	23.0
642.44110	2.7
659.45160	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.0
61.02916	7.3
65.03932	4.1
67.05495	60.9
69.03429	10.2
69.07058	25.0
70.03882	8.5
71.04974	5.4
73.02895	3.6
76.62080	1.4
77.03936	1.6
79.05480	60.8
79.05931	3.3
81.03395	12.4
81.07043	69.4
83.04968	12.8
83.08606	31.0
85.02911	9.4
85.06532	4.9
85.80906	1.4
91.03929	1.7
91.05467	50.5
91.15295	1.3
93.07030	48.0
95.04951	43.0
95.08589	33.8
97.02875	7.0
97.06517	28.9
97.10159	16.9
99.04420	4.2
99.08048	2.6
103.05434	2.8
104.86530	1.6
105.07011	48.5
107.04944	22.6
107.08573	44.6
109.02844	3.2
109.06515	15.9
109.10151	16.0
111.04452	6.4
111.08051	7.4
115.05443	2.3
115.07562	2.2
117.07008	18.8
119.08567	35.6
121.06481	9.7
121.10120	21.1
122.78266	1.5
123.04404	1.4
123.08038	7.7
123.11692	5.8
125.09587	15.5
126.09989	1.6
127.03924	3.9
127.07545	1.7
128.06212	2.4
129.06972	7.9
131.08536	24.8
133.06483	3.3
133.10106	26.2
135.08026	10.8
135.11665	11.9
137.09618	6.1
139.11168	2.7
141.06990	3.0
142.07797	1.4
143.08508	8.2
145.06496	3.2
145.10110	25.2
147.08047	4.0
147.11665	19.6
149.09598	30.3
149.13286	4.1
151.11147	4.3
153.12715	1.9
155.08536	4.6
157.10088	9.0
159.08087	2.9
159.11687	14.0
161.09615	2.6
161.13263	7.8
163.11143	23.3
165.12724	5.5
169.10098	5.2
171.10284	2.4
171.11713	5.8
173.04431	2.7
173.09615	2.3
173.11777	3.4
173.13280	8.5
175.11182	3.6
177.12761	5.8
183.11719	3.2
185.13226	4.7
187.11227	5.1
187.14752	3.1
189.11180	12.8
193.12236	1.6
195.12047	1.5
195.13911	1.6
197.13283	3.0
201.12720	2.6
205.12231	5.6
207.13853	1.8
209.13255	1.7
215.14351	2.1
223.13258	19.2
227.12743	28.5
227.14809	2.4
229.14281	1.9
229.19551	4.7
233.15451	1.8
239.17906	6.1
245.13863	3.9
247.20506	4.2
253.18008	2.4
257.18921	17.7
259.20535	1.6
269.17535	2.9
273.18488	4.3
275.20020	100.0
276.20395	2.5
291.19513	4.4
293.21027	25.9
331.22696	3.6
349.23666	67.0
351.25409	1.9
367.24835	24.9
413.21567	3.2
513.35596	2.3
519.33081	4.7
527.37103	3.0
537.34113	2.1
543.36481	4.5
547.36859	1.6
561.37964	7.4
567.39020	1.8
623.42932	19.5
641.44049	25.3
642.44885	2.2
659.44788	6.5
701.99695	1.6
777.19733	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	821.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03157	1.3
57.03426	19.5
57.07059	1.5
61.02915	73.0
65.03910	1.9
67.05139	1.6
67.05493	33.0
69.03045	1.6
69.03416	27.8
69.07053	8.7
70.06555	1.3
71.01336	4.0
71.04985	5.6
73.02518	1.5
73.02903	23.6
76.00236	1.0
79.05479	24.2
80.05809	1.2
81.02945	1.1
81.03405	22.4
81.07043	32.2
82.07347	1.1
83.01308	1.6
83.04955	3.7
83.08604	4.3
85.02889	100.0
85.06513	1.5
87.04444	2.6
88.46245	0.9
91.03941	56.2
91.05462	15.3
93.07027	23.3
95.04945	6.5
95.08588	25.1
97.02874	69.3
97.06521	3.3
97.10122	1.6
98.03213	0.9
99.04440	13.8
99.08077	1.5
101.02356	5.4
103.03915	9.1
105.07008	16.5
106.07323	1.0
107.04913	2.0
107.08576	14.4
108.08857	0.8
109.02865	12.4
109.06493	3.1
109.10145	14.8
111.04420	3.6
111.08031	1.6
113.05984	1.5
115.03931	7.7
115.05443	0.8
115.88984	1.0
117.05463	2.2
117.06973	5.4
119.08541	10.6
121.06506	1.1
121.10121	10.1
123.08042	1.3
123.11684	5.6
125.09578	1.5
127.03893	35.7
127.07505	0.9
129.05472	4.1
129.06946	2.2
131.08556	9.8
133.10100	7.5
135.08067	1.8
135.11671	9.1
137.09615	0.9
137.13249	1.7
143.08498	2.6
145.03827	1.8
145.04936	27.1
145.10110	8.4
147.08023	1.7
147.11662	6.4
149.02269	0.9
149.09607	2.7
149.13249	5.2
151.11134	1.1
155.07130	1.2
157.10104	2.2
159.06477	2.6
159.07906	1.0
159.11642	6.0
161.13248	5.6
163.05994	17.2
163.11179	1.7
163.14835	2.9
165.12711	1.3
167.08594	1.0
169.10123	1.1
171.06546	1.1
171.07921	1.1
171.11610	1.8
173.13205	4.7
175.14816	1.9
177.12675	1.6
177.16351	1.1
183.06480	9.3
183.11673	2.0
185.13246	2.1
187.11029	0.9
187.14799	1.7
197.13202	1.0
199.14699	1.7
201.07542	5.5
219.08597	0.9
228.23022	1.1
241.19540	1.0
243.20998	4.2
257.72784	0.9
259.20477	2.1
261.22079	13.3
271.07898	1.0
273.18616	0.9
273.22147	1.5
275.20117	4.0
277.21570	1.8
285.22058	1.3
291.19498	1.2
293.20645	1.0
303.23105	2.5
315.23236	1.6
317.24539	1.1
327.22986	2.3
335.25739	49.3
336.25894	2.4
345.24033	2.0
349.23596	2.3
351.23285	1.5
353.26895	1.9
363.25064	2.5
369.24097	3.5
377.26801	3.1
387.25171	1.4
405.26212	1.2
419.27542	1.5
443.27591	4.7
444.28598	0.9
461.29053	4.9
479.29901	9.2
483.79822	1.0
497.30902	2.9
503.33267	0.9
565.71051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48177	0.5
67.05475	1.0
69.03404	1.4
69.46191	0.5
69.65849	4.4
70.06563	2.4
78.01069	0.5
79.05457	1.5
81.03394	1.6
81.07051	0.7
82.06558	0.6
85.02879	1.5
86.09682	0.8
89.03902	1.1
91.05471	1.2
93.07024	1.7
94.06559	2.8
95.04932	1.3
95.07303	1.2
96.08084	2.7
97.02866	0.8
97.06542	0.5
98.21424	1.0
103.05432	1.1
105.06962	0.8
107.04918	0.7
108.08092	3.4
109.10112	0.6
110.06049	0.6
110.09675	5.1
116.04980	2.8
117.09376	0.5
118.06507	0.6
119.08553	0.7
120.08087	3.4
121.06450	0.7
122.06040	5.0
123.04407	0.8
124.07578	4.2
130.60237	0.5
131.04900	0.5
134.05997	1.0
136.07562	8.4
137.05956	5.8
138.06290	0.8
138.09119	6.4
144.04411	5.5
146.05974	1.9
147.04370	0.8
148.07507	2.1
149.05945	0.8
150.05490	1.2
150.09160	0.7
151.03871	1.0
152.07027	0.8
155.07253	0.6
155.08511	0.8
159.08009	1.0
160.03925	1.3
162.05441	3.5
164.07079	1.2
166.07318	0.8
166.08630	11.9
166.10028	0.8
167.07047	4.9
170.09550	3.3
172.03911	36.5
172.11194	1.5
173.04414	1.1
174.05531	1.1
175.08693	1.3
177.05441	1.3
180.07898	0.6
181.04913	1.4
183.06758	0.9
186.09074	0.6
187.07375	0.8
187.12328	4.8
190.04950	7.2
191.06969	1.2
196.66393	0.7
198.09120	22.0
200.09355	2.0
200.10860	1.2
204.06535	54.0
205.06915	1.1
209.08116	1.3
212.10767	4.2
215.11763	18.9
225.06537	0.9
225.10143	1.6
226.08640	6.2
226.10660	1.1
227.08177	1.0
227.11790	2.2
228.08875	1.2
229.09702	0.8
229.13353	0.9
231.11240	1.2
239.11810	0.8
240.10114	2.1
241.09657	1.7
241.13309	1.6
242.10434	1.9
243.11263	99.9
244.11662	2.6
249.09180	0.6
251.11711	0.8
253.09500	0.9
255.11234	9.1
256.11966	0.8
257.12845	5.5
263.07178	0.6
267.07501	0.8
267.11337	0.8
269.09082	1.5
269.12619	0.8
273.03784	0.7
279.11420	1.2
281.09003	0.9
283.10687	1.6
284.11475	0.7
285.12296	87.9
286.12704	2.6
297.12317	1.4
301.11804	7.7
302.12564	1.2
303.13358	100.0
304.13559	2.6
307.10089	1.2
309.08536	0.9
325.11725	8.3
326.59940	0.6
327.09592	1.0
337.10922	0.9
339.12720	1.1
343.12869	1.4
357.14429	10.9
358.15042	2.3
359.15878	2.4
369.13309	1.5
373.10217	0.8
387.11581	2.7
418.17438	1.7
430.17636	1.2
462.16470	2.4
470.17081	1.3
474.16412	2.4
476.18198	2.5
487.16998	1.8
488.17865	0.8
494.19141	2.4
519.19617	0.9
547.19781	0.6
583.25372	5.8
589.99792	0.6
591.21704	0.8
599.25018	1.6
609.22974	1.9
623.24548	1.0
627.24390	14.7
641.26013	9.8
659.26929	1.8
789.28613	0.7
803.30646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	7.2
57.07064	1.7
61.02902	1.9
65.03928	3.6
67.05490	41.1
69.03402	7.2
69.07056	16.3
69.94859	3.6
69.95267	1.9
71.04958	4.4
71.08593	1.0
72.77073	0.9
74.46308	1.0
79.05480	52.1
81.03395	12.1
81.07040	100.0
83.04969	9.9
83.08617	11.2
85.02871	6.0
85.06522	2.8
91.05459	46.3
93.07026	34.4
95.04952	16.3
95.08586	25.0
97.02860	4.5
97.06507	9.3
97.10148	7.1
98.21367	1.3
99.04439	3.1
99.08056	1.7
103.05452	2.1
105.04488	1.3
105.07013	37.5
107.04938	11.7
107.08569	21.6
109.02850	2.1
109.06497	45.1
109.10131	13.1
111.04398	4.6
111.08064	6.2
115.05404	4.8
116.06204	1.9
117.06994	22.6
119.04862	1.5
119.08561	30.5
120.08872	1.3
121.06510	7.3
121.10119	13.3
123.08045	10.7
123.11673	3.4
125.05990	1.5
125.09624	6.3
127.03873	2.1
128.06184	7.5
129.06985	14.9
130.07764	3.3
131.08536	30.6
133.06454	5.0
133.10104	18.1
135.08038	7.1
135.11665	6.9
137.09572	5.0
139.11192	1.3
141.06972	5.3
142.07736	3.3
143.08524	23.0
145.04930	1.1
145.06445	2.8
145.08971	2.2
145.10100	31.7
147.08040	9.5
147.11656	11.4
149.09602	9.5
149.13251	3.9
151.07504	1.7
151.11142	2.2
153.07047	1.3
154.07765	1.8
155.08485	4.6
157.06429	1.3
157.10075	12.0
159.08058	3.8
159.11705	11.6
161.09592	10.0
161.13223	3.2
161.27211	1.1
163.11159	7.0
165.06953	1.7
165.09108	1.7
165.12764	2.3
167.08513	2.7
169.10106	6.1
171.07956	1.7
171.10413	1.2
171.11626	7.1
173.04373	2.7
173.09581	2.9
173.11853	1.2
173.13219	2.7
175.11166	5.9
177.12704	4.2
180.09396	1.5
181.10091	3.8
181.12189	1.2
183.11661	3.8
185.09521	2.0
185.13240	3.6
187.11116	3.2
187.14757	1.3
189.11238	2.2
191.10670	1.6
191.14265	1.7
195.11661	4.6
197.13213	2.8
199.11121	2.5
201.12682	1.9
203.14423	1.2
205.12056	1.4
209.13217	1.9
211.14888	2.0
213.12677	1.4
213.16443	1.4
219.13702	1.2
223.13254	1.6
227.12752	4.0
227.17847	1.3
229.14227	1.9
237.16403	5.6
239.17984	1.4
245.18977	1.9
247.20482	1.7
249.14832	2.5
255.17439	7.8
257.19031	3.3
257.21753	1.0
269.17380	2.0
273.18448	35.0
275.20010	25.9
276.20468	1.3
291.19482	40.1
293.21088	3.4
329.21024	2.2
331.22672	1.5
347.22101	17.8
349.23657	13.2
365.23215	8.4
367.24719	9.8
413.21735	1.9
515.33514	2.2
519.32751	2.0
541.34991	2.9
542.14899	1.1
559.36072	6.5
621.41473	10.0
639.42395	20.2
657.42993	4.2
819.47595	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	819.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.3
57.07069	1.2
59.04984	1.3
61.02929	5.1
65.03933	5.2
67.05495	68.7
69.03417	21.0
69.07059	33.2
71.01346	2.5
71.04420	1.0
71.04992	7.9
71.08604	1.4
71.69964	1.2
71.70706	1.1
73.02908	3.2
76.28564	0.9
77.03910	1.6
79.05482	54.9
81.03406	36.1
81.07043	100.0
83.04969	11.8
83.08607	21.9
85.02898	14.0
85.06525	3.7
91.03938	1.7
91.05464	51.7
92.05782	1.4
93.07032	45.7
95.01323	1.1
95.04954	34.8
95.08591	38.3
97.02885	14.2
97.06515	14.4
97.10153	16.0
99.04435	2.8
99.08086	4.0
103.05434	2.1
105.07014	46.2
105.07725	2.2
107.04940	19.9
107.08585	29.8
109.02864	7.6
109.06503	26.5
109.10137	17.2
110.80547	1.3
111.04453	4.8
111.08076	6.4
113.05978	1.6
115.05424	2.6
116.06226	1.8
117.06995	17.8
119.04929	2.3
119.08564	37.3
121.06487	10.0
121.10128	21.0
123.04429	5.8
123.08047	12.1
123.11702	7.4
125.05988	1.2
125.09608	11.4
127.03878	10.3
128.06216	5.0
129.05463	1.7
129.07007	9.2
130.07774	1.5
131.04948	1.4
131.08553	22.4
133.06512	7.0
133.10110	23.6
135.08026	11.6
135.11652	7.9
137.05923	1.6
137.09598	5.7
137.13245	1.7
139.07524	1.9
139.11171	1.5
141.06949	3.4
142.07771	2.0
143.08540	9.1
143.77715	1.2
144.09334	1.0
145.06465	3.6
145.10094	20.6
147.08018	11.1
147.11665	18.2
149.05920	1.6
149.09575	13.2
149.13254	8.4
151.07553	2.1
151.11154	3.7
153.09082	2.4
155.08549	5.3
157.06468	2.2
157.10083	10.0
159.08046	4.1
159.11684	12.8
161.09595	7.8
161.13240	3.9
163.07570	1.2
163.11172	10.9
163.14822	1.4
165.09138	3.1
165.12770	6.1
167.08591	1.5
169.10121	3.6
169.12241	1.4
171.08052	1.5
171.11639	5.2
173.04408	5.3
173.09557	4.8
173.13249	5.7
175.11235	8.0
175.14790	1.9
177.09058	1.9
177.12740	3.9
179.10619	1.2
179.14322	2.4
181.10149	1.8
181.12202	2.0
183.11708	1.8
185.09521	2.2
185.13277	2.7
187.11160	3.6
187.14824	2.5
189.11223	7.2
189.12784	2.8
191.10564	2.1
191.14326	1.3
193.12201	6.6
195.11642	1.6
195.13792	1.2
197.13321	1.9
199.11142	2.9
201.12701	1.4
203.10635	1.4
203.14313	2.0
205.12274	1.8
207.13795	1.2
211.11322	1.4
211.13225	5.2
213.12849	1.8
219.13896	1.3
221.11717	1.1
223.13243	7.5
225.10999	1.2
225.12912	1.3
227.12715	9.5
229.14301	1.2
229.19388	1.7
239.18030	2.5
245.18932	2.3
247.20634	5.0
249.14793	4.8
253.14325	2.4
255.17477	2.7
257.19009	4.9
263.20117	1.0
267.15836	5.1
269.17502	1.9
271.16803	1.0
273.18448	23.9
275.20013	53.5
279.16037	1.0
291.19507	44.2
292.19641	1.2
293.20966	10.1
315.19620	1.5
323.98499	1.1
347.22266	7.5
349.23715	20.7
350.24078	1.4
355.22415	1.4
357.20575	1.3
365.23175	14.2
367.24786	9.7
379.10535	1.2
395.29575	2.0
407.24341	1.3
426.63434	1.1
435.23514	2.8
493.27966	1.3
509.27258	2.4
519.32532	1.5
529.35840	2.1
541.35364	5.9
547.38080	1.4
559.36310	8.5
589.37042	1.5
621.41345	4.0
639.42474	23.2
657.33160	1.9
657.43488	23.8
681.43536	2.1
703.40240	2.5
721.41516	2.5
783.46136	1.2
801.47186	3.1
819.48639	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	819.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	14.6
57.07043	3.0
57.36373	1.3
59.04979	2.3
59.63303	1.5
61.02912	8.8
65.03915	6.6
66.04697	1.6
67.05492	81.5
68.03066	1.5
68.05814	1.9
69.03422	17.2
69.07060	32.7
69.84701	10.8
71.04996	9.8
71.08602	1.8
73.02892	5.2
75.65559	1.6
79.05478	71.9
81.03406	33.0
81.07041	100.0
83.04973	17.6
83.08607	21.7
85.02877	15.3
85.06510	5.3
91.03947	2.0
91.05459	62.4
93.03352	1.8
93.07031	56.0
95.01346	1.7
95.04951	29.4
95.08002	2.8
95.08591	40.9
97.02870	17.1
97.06519	25.0
97.10145	19.8
99.04417	6.9
99.08072	8.6
101.02377	1.8
101.05996	1.5
103.05421	3.8
105.04496	2.3
105.07009	54.1
107.04933	17.6
107.08580	44.4
109.02826	6.9
109.06505	27.2
109.10146	24.6
110.06799	2.1
111.04471	7.4
111.08051	7.6
113.05971	4.3
115.05404	3.5
115.07538	2.3
117.06995	29.9
119.08566	40.3
121.06483	10.0
121.10136	22.0
123.04409	4.1
123.08054	21.4
123.11679	5.4
125.09609	18.0
127.03926	10.0
127.07552	2.0
128.06201	5.4
129.05441	2.3
129.06964	16.3
130.07648	2.1
131.04955	2.7
131.08540	30.6
133.06425	5.3
133.10110	25.5
135.08051	12.6
135.11678	15.5
137.06001	3.1
137.09619	8.1
139.07458	1.8
139.11107	2.4
141.06946	5.9
142.07707	2.8
143.08530	14.9
145.06450	6.0
145.10101	28.1
147.08026	13.0
147.11641	20.1
149.09593	15.8
149.13194	5.4
151.07507	2.7
151.11082	3.7
153.09093	3.8
153.12741	2.8
154.80873	1.8
155.08534	7.0
157.06506	2.3
157.10112	13.1
159.08015	6.1
159.11667	17.2
161.09619	12.6
161.13206	7.0
163.11119	16.2
165.05482	1.5
165.06934	2.8
165.09061	4.5
165.12714	4.4
165.22507	1.6
165.63052	1.8
167.08511	5.7
169.10083	6.0
171.10237	3.0
171.11642	9.5
173.04407	6.3
173.09598	5.3
173.11801	3.1
173.13220	7.5
174.53302	1.6
175.11153	7.7
175.14745	1.9
177.12753	6.8
181.10109	2.9
181.12222	2.7
183.11620	6.5
185.09554	2.0
185.13237	5.8
187.11153	5.0
187.14761	3.9
189.11185	13.3
189.12738	4.1
189.16380	1.7
191.10597	4.2
193.12173	3.7
195.11671	3.5
195.13786	2.5
197.13260	4.1
198.94940	1.6
199.11168	3.9
199.14745	2.4
201.12695	3.7
207.13794	2.0
211.14867	2.1
213.12656	2.0
213.16379	3.7
217.15729	2.5
217.19446	2.1
219.13734	1.7
223.13208	4.3
227.12723	16.4
227.18002	3.2
229.14229	4.0
229.19562	2.2
231.13628	2.3
237.16335	2.5
239.17993	3.8
243.17418	2.1
245.18933	4.4
247.20509	4.0
249.14838	1.7
255.17355	5.3
257.18924	12.1
263.20193	2.5
267.15839	2.6
269.17380	3.2
273.18475	33.1
275.20041	51.3
276.20364	2.7
291.19485	54.7
293.21109	7.3
309.20514	3.4
326.65820	1.7
329.21146	1.8
331.22348	2.8
334.61890	1.7
341.20944	1.9
347.22208	10.2
349.23676	27.1
350.24069	2.1
365.23065	24.6
367.24677	5.5
383.24258	2.7
399.21713	1.9
413.21420	1.6
493.27747	2.5
517.31384	2.3
519.32886	2.1
529.35785	2.2
541.35010	4.9
543.36292	3.1
555.36072	2.0
559.36432	6.1
565.39130	2.1
621.41449	13.6
639.42438	30.8
640.42627	2.5
657.43665	17.2
702.71582	1.9
703.40283	2.6
721.41949	1.8
801.46753	3.8
819.48578	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	819.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	26.7
57.07064	2.4
58.76484	1.9
59.04969	1.6
59.39661	1.8
61.02911	8.2
64.60833	1.9
65.03929	6.3
67.05493	92.2
68.05845	3.5
69.03421	16.7
69.07056	32.3
69.78376	4.9
69.78772	12.1
71.04996	11.6
73.02886	3.7
79.05480	69.9
81.03407	31.0
81.07041	100.0
82.07371	3.5
83.04954	15.2
83.08599	21.0
85.02894	12.4
85.06541	8.4
91.03928	2.5
91.05463	74.8
93.07028	62.9
95.01286	3.2
95.04955	51.2
95.05573	2.5
95.08592	46.0
97.02868	12.6
97.06514	25.7
97.10146	16.2
98.20684	2.8
99.04436	6.2
99.08080	14.1
99.35444	2.0
101.02394	2.1
103.05437	2.3
105.06329	4.3
105.07009	57.1
106.07355	2.3
107.04935	28.4
107.08578	47.5
109.02866	5.9
109.06498	42.6
109.10126	26.9
110.10415	2.5
111.04417	6.0
111.07178	1.7
111.08051	8.8
113.05994	12.1
115.05458	4.0
115.07552	1.9
117.07001	25.6
117.50340	1.8
117.74636	1.9
118.07349	2.2
119.04922	2.9
119.08567	45.0
120.08933	2.0
121.06478	10.9
121.10120	23.9
123.04452	2.7
123.08070	11.8
123.11704	4.1
125.09615	17.0
127.03917	10.8
127.07508	4.4
128.06163	5.6
129.06976	14.1
130.07747	2.8
131.04955	2.4
131.08553	34.0
133.06491	6.0
133.10098	32.0
135.08022	23.9
135.11687	16.1
135.68884	2.0
137.09566	7.5
139.07509	2.7
141.06941	5.3
142.07745	3.6
143.08537	17.2
145.06491	3.2
145.10094	28.6
147.08031	14.8
147.11679	17.0
149.09569	20.8
149.13293	10.4
151.07500	2.8
151.11208	4.4
153.09026	3.0
155.08539	9.3
157.10127	14.9
159.08031	8.6
159.11655	18.5
161.09599	14.1
161.13261	7.2
163.11131	13.1
165.12688	4.2
167.08475	3.6
169.10088	10.5
171.08022	2.8
171.11702	9.8
173.04399	4.0
173.09601	5.6
173.11838	3.0
173.13272	8.0
175.07626	2.0
175.11131	6.9
177.12738	7.4
179.08534	2.1
179.10583	4.0
181.10107	3.5
181.12326	2.9
183.11700	7.0
185.09599	2.0
185.13246	4.5
187.11131	7.1
187.14859	2.4
189.11179	6.7
189.12749	4.0
191.10620	2.7
191.14297	3.9
193.12189	2.4
195.11681	5.2
195.13748	3.2
197.13251	4.2
199.11229	4.9
199.14832	3.3
201.12778	3.1
203.14487	2.2
205.12119	3.4
213.12848	2.3
217.15906	7.1
219.13646	2.5
223.13292	8.9
224.13722	2.8
225.12679	2.1
227.12637	12.4
227.17993	3.0
229.14326	8.8
229.19566	3.3
230.14656	2.6
233.15329	2.8
239.18004	3.7
241.19182	2.1
245.19089	3.9
247.16751	2.4
247.20511	4.1
249.14738	2.9
255.17537	5.9
257.18884	10.6
259.20633	2.3
269.17398	3.0
273.18460	32.4
275.20032	53.8
276.20425	5.0
283.15292	2.3
285.16891	2.2
289.18265	2.8
291.19501	62.5
292.19772	2.1
293.21054	8.4
297.17261	2.2
329.21136	3.7
331.22430	3.2
333.20566	2.1
347.22177	13.4
349.23788	24.3
350.24081	2.4
365.23404	14.2
367.24731	9.0
368.24963	2.4
389.23169	2.2
455.32123	2.2
471.31400	2.3
504.34326	3.5
519.32776	2.3
529.35944	3.9
541.34918	4.3
543.36566	3.3
559.35864	7.4
569.38562	2.8
621.41693	14.4
639.42542	32.1
657.43549	19.0
703.40033	3.0
734.87317	2.1
765.44543	3.0
783.45807	3.4
801.47485	4.1
819.47791	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	819.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
61.02893	0.4
67.05478	0.7
69.03400	0.7
70.06550	0.7
71.43900	0.6
72.08129	0.4
79.05453	1.2
81.03392	1.8
81.07037	1.6
85.02901	2.4
87.79337	0.3
91.05477	1.4
93.06991	1.3
95.04928	0.5
95.08563	1.4
95.09100	0.3
97.02851	1.2
103.03828	0.4
103.05413	0.3
104.33571	0.3
105.06971	1.8
107.01309	0.4
107.08540	1.1
109.02848	1.5
109.10146	0.4
117.06976	0.4
119.08556	2.5
121.02834	0.4
121.06451	0.3
121.10136	1.5
125.80482	0.3
127.03895	0.4
131.08495	0.3
133.10037	0.7
135.11671	0.4
137.05905	0.9
145.06398	0.4
145.10039	0.6
147.11662	0.4
153.01788	1.5
155.04861	0.3
157.10010	0.4
159.11609	0.5
161.05916	0.3
161.13155	0.6
167.07019	1.5
169.02789	0.4
171.04332	0.4
177.05525	0.4
177.09193	0.3
183.04431	0.4
187.03883	0.4
189.16403	0.8
201.05205	0.4
211.03958	1.7
215.03455	0.5
217.05035	0.4
217.15819	0.7
219.02797	1.3
221.05939	0.9
225.05438	2.9
229.04955	3.2
231.02872	0.8
239.03334	1.0
239.07047	0.4
241.04810	0.5
243.02812	0.8
243.06499	0.8
245.04367	1.4
253.04884	1.3
256.03613	0.5
257.04422	23.4
258.04758	0.8
260.03128	4.9
261.03888	8.2
263.01816	2.1
265.05011	0.5
267.02838	1.8
267.06332	0.6
269.04330	0.4
271.02841	0.6
271.05984	8.8
273.03891	100.0
274.04465	6.7
275.05264	0.6
277.04898	0.7
279.06366	0.4
281.04373	3.3
283.05972	0.9
284.03055	0.6
285.03931	14.5
285.07425	1.7
286.04340	1.0
287.01849	1.1
287.05490	1.2
295.06033	3.3
297.03891	3.7
298.04663	1.0
299.01944	2.3
299.05423	28.1
300.05823	1.1
301.03348	1.2
303.04950	68.5
304.05219	2.7
305.04355	0.3
310.04745	0.5
311.05478	2.9
313.03592	0.5
313.07001	6.4
315.05307	0.5
323.05469	4.6
325.03308	0.8
327.04944	37.9
328.05243	1.6
339.04938	12.4
340.05362	0.8
341.06516	1.9
351.04938	11.6
352.05447	0.6
357.05988	20.4
358.06354	1.4
359.57544	0.3
361.19846	0.4
367.11734	0.5
369.06012	19.1
370.06448	0.8
387.07050	19.4
388.07358	0.8
405.08109	44.4
406.08255	2.0
423.09161	7.8
600.52161	0.3
639.24255	0.4
681.25092	0.8
772.42761	0.4
783.29004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
65.03901	0.6
67.05471	1.5
69.03424	2.6
69.07065	2.0
70.06562	1.0
70.08100	2.3
71.01337	0.5
71.04963	0.6
73.02889	0.5
79.05480	4.3
81.03401	3.8
81.07059	2.2
83.04977	6.6
85.02884	3.2
91.05473	4.1
93.07043	2.7
95.04970	2.9
95.08564	1.0
97.02835	1.4
97.06533	3.9
99.04412	0.9
103.03919	1.0
105.07018	11.2
107.01238	0.7
107.04948	1.0
107.08566	2.3
109.02856	2.3
109.06470	1.5
110.74075	0.4
110.77023	0.4
115.05402	0.9
117.06997	2.3
119.04909	0.7
119.08560	2.4
120.08887	0.4
121.02816	0.6
121.06476	3.8
121.10145	0.8
123.04388	0.8
125.05964	4.8
126.58203	0.4
127.03882	1.1
127.05454	0.4
128.06151	0.8
129.06934	1.9
130.07819	0.8
131.04938	0.6
131.08571	2.1
133.06487	2.5
133.07335	0.5
133.10089	1.1
134.33305	0.4
135.04391	1.0
135.11678	0.6
137.05846	1.0
141.06950	0.9
143.06985	1.6
143.08528	1.3
144.09277	1.0
145.04922	0.7
145.06422	2.0
145.10106	8.9
147.08051	1.0
147.11661	0.8
151.07500	1.2
153.01804	3.4
153.06850	0.5
154.07741	0.6
155.04866	0.6
155.08401	0.6
156.09390	0.4
157.10092	0.5
158.07236	1.1
159.08000	0.9
159.11641	4.3
161.09605	0.5
163.03926	0.6
163.11134	3.8
165.06956	0.7
167.06958	1.7
169.10089	1.8
171.04352	1.0
172.08771	0.7
173.05937	0.5
173.09581	5.6
175.07443	0.6
178.54813	0.4
183.04352	1.2
185.08064	1.2
185.09555	0.6
187.03738	0.7
187.11174	8.7
189.12790	0.6
191.10649	3.0
193.06516	1.1
197.05928	1.2
197.09506	1.2
199.03909	0.8
201.05367	1.2
205.12195	2.9
205.13858	0.4
209.08089	0.4
211.03885	5.5
212.67876	0.4
215.03300	0.4
215.10648	7.2
217.04956	0.8
219.02882	2.5
221.05963	4.4
225.05434	3.1
229.04919	5.4
231.06421	0.5
233.11703	5.0
239.03358	2.0
239.07118	0.7
243.02788	0.6
243.06516	0.7
244.30894	0.4
245.04396	2.2
249.05417	1.6
249.11232	0.8
251.12692	1.7
253.04910	2.9
255.02885	1.2
256.03650	1.0
257.04425	39.3
258.04745	1.5
260.03101	6.2
261.03897	6.6
263.01813	5.6
267.02899	3.6
267.06226	2.1
269.04364	1.4
271.02835	0.9
271.05972	11.5
273.03897	61.9
274.04599	7.3
275.05319	1.2
275.12946	0.7
277.04880	2.4
279.06384	0.8
281.04446	4.2
283.05881	0.5
284.03067	0.9
285.03934	34.0
285.07379	3.6
286.04263	1.9
287.01807	2.3
287.05460	1.4
289.03101	0.5
295.05978	12.3
297.03882	7.3
298.04596	3.7
299.01999	1.5
299.05450	27.9
300.05753	0.8
301.03381	1.9
303.04950	100.0
304.05200	3.2
305.04266	0.7
309.03903	2.3
311.02054	0.8
311.05493	2.6
313.03610	0.8
313.07007	15.9
314.07315	0.8
315.04837	2.1
323.05463	14.4
324.05927	0.7
325.03436	2.5
325.06693	0.7
327.04950	38.7
328.05331	1.1
329.02802	0.8
335.05347	1.0
335.14816	1.4
337.10422	0.5
339.05099	3.1
341.06424	2.7
345.05902	0.8
351.04938	29.1
352.05399	0.9
353.06433	6.5
353.15747	0.5
357.05875	1.7
365.06619	0.9
365.84949	0.4
369.06003	80.0
370.06360	3.4
387.07043	7.9
393.06137	0.9
405.08087	3.9
459.07181	0.6
475.09308	0.6
486.02045	0.5
493.11313	2.5
511.12256	5.5
529.13293	5.8
555.17206	0.5
589.86652	0.4
591.18304	0.5
595.76062	0.5
601.17126	1.7
619.18152	2.5
637.18896	3.8
655.19910	1.4
745.19415	0.6
763.21948	0.5
781.23175	0.8
795.95483	0.5
799.24567	1.2
817.25598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.8
65.03907	0.4
67.05465	1.0
69.03426	1.9
69.07056	1.8
69.39941	0.7
69.40344	3.6
70.06573	0.4
71.04974	0.4
73.02891	0.4
79.05486	3.9
81.03410	2.8
81.07047	1.8
83.04592	0.3
83.04964	3.8
85.02892	3.0
91.05023	0.3
91.05470	4.3
92.99765	0.3
93.07023	3.6
95.04946	2.6
95.08568	0.7
97.02856	1.4
97.06522	3.4
99.04427	0.9
103.03890	1.0
103.05423	1.0
105.03365	0.7
105.06337	0.7
105.07013	11.1
107.01287	0.9
107.04923	1.2
107.08569	2.4
109.02857	2.3
109.06525	1.8
115.05421	0.8
117.06999	1.9
119.04897	0.6
119.08539	1.9
120.24535	0.3
121.02802	0.4
121.06486	4.8
121.10118	0.7
123.04395	0.5
125.05961	2.2
127.03918	0.6
128.06177	0.7
129.06955	1.5
130.07759	0.9
131.04829	0.4
131.08545	3.5
133.06488	2.2
133.10106	1.3
135.04382	1.0
135.08005	0.4
135.11662	0.6
137.05916	1.5
141.06926	0.9
142.07767	0.4
143.06996	1.2
143.08504	1.3
144.05663	0.5
144.09293	0.7
145.04906	0.4
145.06477	1.8
145.10101	10.6
147.08003	0.8
147.11621	0.8
151.03847	0.5
151.07565	0.5
153.01785	3.9
153.06975	0.5
154.07707	1.0
155.04839	0.9
155.08493	0.6
157.06465	0.4
157.10101	0.8
158.07205	1.7
159.08058	2.1
159.11673	5.2
161.09552	1.4
161.13159	0.8
163.11177	4.0
167.07050	0.4
169.10092	1.3
170.04723	0.3
171.04337	0.8
172.08795	1.0
173.06023	0.6
173.09587	6.9
179.08537	0.7
183.04379	1.1
185.09694	0.4
187.03821	0.6
187.11139	10.0
188.11391	0.5
189.12686	1.0
191.10666	2.9
193.06403	0.8
197.06108	0.5
197.09613	1.1
199.03876	0.6
201.05431	1.3
205.12257	2.9
211.03874	5.7
215.03336	0.6
215.10655	10.7
217.04953	0.9
219.02901	2.7
221.05939	3.1
225.05426	3.5
229.04910	5.5
230.05359	0.5
231.10091	0.4
233.11713	6.3
239.03363	2.7
239.06998	0.6
241.04973	0.5
243.02850	1.3
243.06483	1.1
245.00760	0.5
245.04312	1.8
249.05383	1.0
251.12782	0.9
253.04935	2.6
255.02853	1.0
256.03665	0.4
257.04410	39.2
258.04779	1.8
260.03143	6.8
261.03876	8.5
263.01794	5.8
267.02832	3.6
267.06390	1.4
269.04395	1.9
270.05255	0.8
271.02927	0.7
271.05972	11.7
272.06354	0.5
273.03894	62.6
274.04596	7.3
275.05402	0.7
275.12677	0.5
277.04929	2.4
278.05750	0.5
279.06555	0.8
281.04419	5.0
283.05923	0.6
284.03110	1.2
285.03931	33.9
285.07422	5.5
286.04227	1.4
287.01810	2.2
287.05368	1.7
295.05981	11.8
296.06256	0.7
297.03867	7.7
297.07260	0.4
298.04648	4.3
299.01877	2.5
299.05417	26.5
300.05783	1.1
301.03317	1.2
303.04944	100.0
304.05350	4.0
305.04318	1.0
307.06006	0.5
309.03912	2.6
310.04672	0.4
311.02133	0.7
311.05261	2.0
313.03494	1.0
313.06979	13.5
314.07318	0.8
315.04929	0.9
317.13663	0.7
323.05466	14.1
324.05823	1.0
325.03540	2.7
325.07074	0.6
326.04074	0.4
327.04935	38.8
328.05359	1.3
329.02826	1.0
335.05591	0.7
335.14783	1.5
339.04932	3.2
341.06433	2.4
350.03894	0.7
351.04938	29.5
352.05258	1.7
353.06564	5.1
353.15836	0.5
357.06085	2.3
363.05078	0.5
365.06436	0.7
369.05994	76.4
370.06262	3.7
376.36234	0.4
381.05905	0.4
387.07062	9.6
388.07019	0.5
393.05911	0.6
395.17020	0.5
405.08151	5.1
409.05515	0.4
452.34882	0.4
457.07526	0.7
475.08542	1.1
493.11288	0.8
511.12186	3.4
529.13342	6.0
530.14050	0.4
535.19958	0.4
547.42310	0.5
573.17401	0.5
574.45648	0.4
583.16266	0.8
601.16766	1.0
619.17938	3.9
637.19208	4.2
655.20465	1.5
763.22040	0.7
781.22803	1.1
799.23950	1.3
817.25793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.1
65.03915	0.1
66.04701	0.1
67.05505	0.1
69.03387	0.2
69.13532	0.1
69.37167	0.3
69.37585	1.0
70.06573	0.3
78.04694	1.1
79.05476	1.1
81.03403	0.3
81.07043	0.3
85.02876	0.3
91.05447	0.7
93.07020	0.4
95.04949	0.6
95.08545	0.1
97.02828	0.1
98.20660	0.2
103.05415	0.6
105.03341	0.2
105.06331	0.2
105.07008	3.0
106.04172	0.6
107.04923	1.1
115.05423	0.5
117.06985	0.1
118.04089	0.2
119.08545	0.2
121.02856	0.2
121.06484	0.6
123.04408	2.7
124.05186	1.2
131.04904	0.2
133.06458	2.8
134.03552	0.2
135.08066	0.1
137.05965	0.4
143.05949	0.3
145.06389	0.1
149.05937	0.7
151.03874	0.7
151.07462	0.2
152.04637	1.1
161.05943	4.8
163.07353	0.1
165.05362	0.2
166.06210	0.2
167.06999	100.0
168.07343	1.1
175.07462	0.2
177.05455	0.1
178.06192	0.2
179.07021	0.5
181.08553	4.7
191.06987	0.6
193.08565	10.4
194.08870	0.2
195.10130	0.4
205.08618	0.6
207.09995	0.2
209.08032	0.3
211.09605	12.7
223.09599	1.9
235.09613	0.2
239.09062	0.2
242.74057	0.1
249.11200	0.2
253.10574	0.1
319.11841	0.1
337.12589	0.1
385.16327	0.5
403.17239	0.3
463.17407	0.1
595.28168	0.1
625.63324	0.1
776.57770	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	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	12.3
64.69833	4.7
67.05498	81.7
69.07060	24.3
69.47401	51.3
73.97468	4.7
78.91891	4.2
79.05485	67.9
81.06596	8.0
81.07045	78.0
83.08594	11.4
91.05477	74.7
93.07037	78.2
95.08604	55.0
98.21475	11.0
105.07017	59.1
107.08604	37.5
109.06524	6.0
109.10123	21.2
117.06998	20.3
119.08555	50.2
121.10100	30.2
123.11710	6.3
129.07063	5.9
131.08530	32.6
133.10103	31.3
135.11642	18.3
143.08505	10.2
145.10115	30.1
147.11696	40.0
149.13231	10.1
157.10083	13.6
158.14307	4.5
159.11667	21.2
161.13226	27.7
163.14775	9.2
171.11713	13.7
173.13293	14.6
175.14763	10.4
185.13228	9.9
187.14720	7.3
215.17807	6.2
231.21083	6.1
241.19534	26.8
257.19119	9.4
259.20560	59.3
261.22028	12.2
306.27890	10.3
315.23132	7.9
333.24170	57.6
335.25757	100.0
336.26187	6.1
489.05920	5.4
519.42157	6.4
551.22260	6.8
593.45740	6.5
611.46771	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	4.9
62.82808	2.5
63.35173	2.2
67.05495	46.6
69.07050	14.9
79.05478	23.5
81.03353	2.6
81.07045	42.3
83.04955	4.2
83.08597	7.6
85.06516	2.6
91.05463	31.8
93.07024	30.3
95.01297	5.3
95.04938	5.9
95.08596	29.7
97.06497	11.6
97.10154	4.2
98.20663	5.7
105.07017	41.2
107.04914	7.0
107.08572	15.8
109.06543	5.1
109.10129	9.4
113.09601	2.9
117.06984	11.0
119.08550	27.6
121.10131	10.1
123.08012	3.3
131.08577	13.6
133.10100	21.5
135.08044	4.5
135.11665	5.6
145.10080	10.2
147.11649	10.3
149.09558	3.1
149.13167	3.3
159.11703	5.3
164.89166	2.7
173.13225	3.1
179.14279	7.2
219.17447	8.4
266.97653	2.8
275.19983	37.0
293.05722	2.6
306.28015	2.6
335.25824	62.8
349.23703	17.6
442.47525	2.8
609.45050	100.0
610.45099	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	807.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
61.02896	0.8
65.03921	0.7
66.08560	0.6
67.05481	1.3
69.03418	3.1
70.06568	0.6
70.46301	1.0
70.46719	2.0
70.59881	0.5
72.90076	0.6
73.02908	0.7
79.05480	3.3
79.05928	0.5
80.04977	0.7
81.03410	1.8
81.07038	0.7
82.06570	0.8
85.02901	4.8
91.05466	1.9
93.05766	1.0
93.07027	3.1
94.06556	6.6
95.04946	0.8
95.07337	2.4
96.04437	0.6
96.08112	6.3
97.02871	2.1
97.06519	0.9
99.04462	1.0
103.05445	0.8
105.07005	1.0
106.06528	1.8
107.07345	1.7
108.04462	1.1
108.08101	14.6
109.02882	1.0
110.05958	0.8
110.09657	10.6
116.04965	1.4
117.07018	0.9
118.06535	1.0
120.04444	2.5
120.08089	10.4
121.08884	1.1
122.06004	9.7
122.09626	4.1
124.07564	5.2
132.08054	1.4
134.06013	2.8
134.09665	0.8
136.07556	25.9
137.05971	1.1
137.08339	1.0
138.05505	1.1
138.09116	16.1
138.10135	0.9
144.04440	2.8
146.05995	7.3
146.09662	0.8
148.07545	14.2
150.09117	11.4
152.07040	24.7
158.05989	0.6
160.04015	0.7
160.07558	1.2
162.05486	2.6
162.09084	0.7
164.07059	7.9
165.07793	0.7
166.08620	36.1
167.07047	2.1
167.09155	0.8
172.03908	23.8
174.05530	2.2
174.09138	1.5
176.07074	2.9
178.04991	0.7
181.04915	1.2
182.08170	1.8
184.09843	1.1
190.04967	13.9
194.08153	1.4
197.10770	2.3
198.11504	3.1
199.12350	0.9
204.06534	33.4
206.08165	0.7
208.09908	0.7
209.10788	1.9
210.11485	3.9
211.08698	1.0
211.12250	5.7
212.09322	1.1
212.13058	1.7
213.10187	1.1
213.13808	1.3
218.08130	2.0
221.10666	1.3
222.07555	0.8
223.08807	1.0
223.12212	5.5
224.09436	1.0
224.12997	0.9
225.10150	7.4
225.13925	2.0
226.10892	6.8
227.11761	4.0
229.09691	1.1
229.13428	2.2
235.08623	1.9
235.12320	2.1
236.09470	1.9
237.10205	8.6
237.13846	1.2
238.10899	6.5
239.11761	9.9
240.12543	1.1
241.09673	1.5
241.13321	1.7
242.10466	1.1
243.14964	0.8
248.09348	1.7
249.10170	6.3
250.10901	5.6
251.08197	1.9
251.11769	15.9
252.08942	1.6
252.12532	3.4
253.09807	3.2
253.13284	5.4
255.11287	4.1
256.11935	3.1
257.12830	2.2
259.14365	1.3
261.10052	0.9
262.10815	3.0
263.08008	0.9
263.08612	1.0
263.11765	15.0
264.08783	4.4
264.12479	3.4
265.09784	6.0
265.13367	8.5
266.10489	5.6
266.13412	1.0
267.11240	19.0
268.11990	1.4
269.12830	6.4
270.13400	0.7
271.10858	2.4
271.14453	4.8
273.04156	1.2
273.12247	4.2
276.08841	0.8
277.09738	2.5
277.13318	1.3
278.10510	3.8
278.13333	0.7
279.11227	28.6
280.11850	5.6
281.12775	10.3
281.15768	1.0
282.10059	1.5
282.13400	1.4
283.10800	6.0
283.14102	1.4
284.11505	8.6
285.12277	33.3
286.12775	2.0
287.13885	2.4
289.15509	2.2
291.11227	11.7
292.12054	3.0
293.09497	1.6
293.12744	12.0
294.13290	0.8
295.10760	3.6
295.14459	1.8
296.11517	6.0
297.12299	43.1
298.13013	4.4
299.13797	6.1
303.05106	0.7
303.11203	0.7
304.08411	0.9
307.10788	2.1
309.12280	17.3
310.12961	3.6
311.10266	4.5
311.13879	3.6
312.11041	1.6
313.11868	2.4
316.14426	1.0
319.10666	7.5
321.12244	12.8
323.10233	11.5
323.13818	1.0
324.10638	1.2
325.11768	20.7
326.12500	2.5
327.05334	0.8
327.13333	9.9
328.14105	1.4
329.14822	0.7
330.16010	1.5
332.17596	0.7
337.11774	44.7
338.12341	2.7
339.13290	7.1
340.14041	1.3
341.11353	1.9
341.15073	1.0
343.12894	2.8
344.13882	0.9
344.17566	1.5
346.19202	1.1
355.12997	2.6
356.13751	1.0
357.14447	11.8
358.15375	1.5
359.16013	2.3
359.20200	0.8
360.17004	1.0
361.51440	0.7
362.18637	0.9
367.12668	1.6
369.14407	4.4
370.15244	1.5
371.16095	2.1
372.16953	1.0
373.13968	2.8
385.14053	2.1
386.14380	1.0
386.18900	1.0
388.16623	0.8
390.18097	2.1
392.19843	1.4
396.16296	0.7
398.18692	0.8
399.15469	1.5
400.16315	2.2
401.17230	0.9
402.18213	2.2
404.19757	2.8
412.16406	1.6
414.18182	1.5
416.20200	1.1
418.17477	1.9
420.19119	1.8
421.19980	1.6
422.20813	2.5
430.17413	7.1
432.19131	6.3
433.19708	0.8
434.21307	0.7
436.18707	1.6
442.17654	3.1
444.19064	1.9
446.21011	4.3
448.18625	25.0
449.19324	13.3
450.20184	11.3
460.18622	15.4
461.19290	1.9
462.20203	3.6
463.21054	1.3
472.18784	2.3
474.20380	3.7
475.20923	0.7
476.18039	5.9
477.18921	7.9
478.19601	6.5
480.21191	2.5
487.17093	3.5
489.18472	1.1
490.19647	32.5
491.20193	2.9
492.21277	8.2
506.22849	2.2
519.19427	1.0
522.22321	18.4
523.23230	2.8
567.25623	1.5
571.25989	0.7
594.24683	1.9
595.25311	10.0
608.26611	1.0
611.24738	2.7
612.25262	5.7
613.26471	100.0
614.26636	5.2
634.23633	1.0
636.25653	1.2
640.24780	0.7
645.29138	10.7
652.24847	17.0
653.25818	9.7
654.26495	5.3
684.27502	11.1
685.28339	4.9
686.28387	0.9
754.20953	0.7
757.30518	1.5
775.31647	21.8
776.31543	2.0
807.33612	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	806.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	1.1
57.03426	10.9
61.02922	0.9
65.03927	2.6
67.05491	34.5
69.03400	3.3
69.07052	16.3
69.46097	1.8
69.46514	5.1
71.04985	3.7
79.05476	32.1
81.03400	62.5
81.07040	67.3
83.04957	6.9
83.08602	18.9
85.02867	0.9
85.06522	2.9
87.18961	0.7
89.11481	0.7
91.05463	31.5
93.07027	22.9
94.03433	0.9
95.04951	25.1
95.08583	18.7
97.02878	3.0
97.06509	7.3
97.10162	5.3
98.21461	1.3
99.04409	1.0
99.08085	1.9
101.39479	0.7
103.05378	0.9
105.07009	28.9
107.04926	9.3
107.08573	16.2
109.06493	15.9
109.10143	9.3
111.04410	1.7
111.08037	7.3
113.06019	0.9
115.05402	1.4
117.06997	8.1
119.08556	24.7
119.09412	1.4
120.08891	0.9
121.06502	5.4
121.10120	14.3
123.04432	1.5
123.08035	7.5
123.11669	4.9
125.09590	4.9
127.07493	0.8
129.06966	8.4
131.08543	15.1
133.06416	3.9
133.10106	17.3
135.08026	4.0
135.11682	4.9
137.09569	5.3
141.07062	1.1
142.07730	2.3
143.08487	2.2
145.06409	1.1
145.10095	9.7
147.08028	4.8
147.11659	19.8
149.09587	9.2
149.13261	4.5
151.11179	2.3
155.08534	1.9
157.10081	12.1
159.08040	1.7
159.11650	7.2
161.09525	1.9
161.13248	2.8
163.11162	6.0
163.14795	1.0
165.12700	4.6
169.10150	2.0
171.11652	2.6
173.09563	1.8
173.13240	3.7
175.11147	10.1
175.14873	1.0
177.12712	2.3
183.11635	1.1
185.13211	1.2
187.11142	1.9
187.14746	1.1
189.11212	1.9
189.12743	1.1
193.12215	15.7
199.14705	1.0
201.12740	1.0
205.12228	1.4
205.15804	0.9
207.13673	1.1
211.13226	1.8
215.17786	0.8
227.12700	1.9
229.19424	1.6
239.17796	1.6
239.48077	0.9
243.15912	1.2
247.20403	1.7
249.14874	1.2
253.14188	1.7
257.18887	3.2
267.15863	94.3
268.16168	2.2
273.18546	1.8
275.20004	29.1
276.20441	1.3
285.16913	1.3
291.19537	0.9
293.21063	11.4
299.20145	1.2
315.23090	1.2
349.23636	17.0
367.24734	34.7
368.25195	1.1
373.23648	1.4
421.30765	1.0
439.31949	1.0
449.30560	4.2
462.91638	0.9
467.31442	6.7
485.32492	3.2
509.64511	0.8
523.34033	2.5
541.35187	49.6
542.35504	4.1
553.32483	1.1
559.36194	100.0
560.36487	6.7
583.35608	1.0
604.84668	0.9
782.41254	0.9
807.39374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	23.0
59.04980	4.4
61.02900	3.5
65.03915	5.7
67.05492	89.2
69.03416	14.9
69.06686	3.0
69.07055	48.4
70.27752	9.4
70.28130	3.7
71.04980	30.4
72.37906	1.9
72.75198	1.9
73.02895	4.2
77.03919	1.6
79.05482	76.4
80.33716	2.0
81.03406	85.7
81.07044	100.0
83.04966	20.6
83.08607	37.6
85.02884	8.9
85.06524	9.2
91.05467	81.5
92.05783	3.0
93.07031	69.1
95.04948	33.1
95.08589	42.3
97.02878	10.9
97.05953	2.7
97.06519	38.0
97.10159	22.6
99.08089	5.2
105.04520	2.6
105.07011	57.1
107.04936	20.0
107.08578	50.5
109.02849	3.3
109.06506	15.0
109.10151	26.2
111.04430	6.1
111.08057	12.5
113.09667	2.2
115.05428	4.7
115.07539	7.7
117.06994	22.4
119.08569	37.1
121.06483	11.5
121.10121	24.7
123.04405	2.6
123.08039	8.5
123.11702	9.8
125.09609	20.7
127.03893	4.9
128.06166	2.8
129.06979	18.6
130.07751	2.1
131.08543	25.4
133.06462	6.6
133.10117	37.2
135.08044	12.6
135.11690	16.1
137.09584	4.9
139.11183	2.1
141.06970	4.8
142.07770	4.3
143.08546	13.0
145.06450	4.7
145.10114	20.5
147.08017	7.8
147.11659	18.1
149.09569	18.6
149.13248	11.0
151.11165	10.8
153.09045	2.7
154.07635	2.5
155.08545	3.8
157.10130	14.7
159.08038	4.8
159.11682	15.8
161.09593	7.3
161.13232	4.5
163.11153	13.0
165.09145	3.2
165.12730	3.5
169.10078	5.0
169.12280	2.4
171.10173	1.9
171.11667	5.8
173.04402	4.6
173.09613	4.1
173.11786	3.1
173.13263	6.3
175.11137	12.5
175.14658	2.1
177.12706	5.7
179.10585	1.9
183.11708	3.5
183.13696	1.9
185.13266	5.5
187.11194	3.7
187.13164	4.0
187.14705	2.1
189.11198	11.1
189.12709	3.3
193.12195	25.5
195.11641	2.5
195.13812	5.6
197.13297	2.6
205.12160	3.2
207.13768	2.3
209.11598	2.6
211.13167	4.7
213.12854	2.4
217.15900	4.4
219.13802	2.7
221.15442	2.4
225.14804	3.3
227.12740	23.8
229.14348	5.0
229.19533	2.0
233.15346	2.5
243.15909	2.7
249.14883	2.9
253.14304	4.6
255.15891	7.5
257.19049	7.6
267.15878	76.0
268.16199	3.0
269.17398	26.3
273.18509	15.9
275.20016	30.3
283.15289	2.2
291.19492	13.8
293.20978	3.9
299.14838	2.3
299.19913	3.7
301.16846	3.6
301.19907	14.6
317.15726	3.7
329.21167	2.6
331.22467	3.8
347.21951	5.8
349.23663	32.1
365.23376	4.1
367.24677	5.5
369.24396	2.5
387.25104	3.8
403.24808	2.7
419.23929	2.8
421.25717	3.4
427.27362	2.4
429.26373	3.4
437.29843	9.1
443.27780	8.9
445.29517	2.9
447.27322	24.6
449.30347	4.2
459.26999	3.8
461.28891	55.5
463.30371	4.9
467.31421	5.3
475.30371	3.3
493.31808	10.0
495.33029	7.1
501.31833	4.6
515.33496	7.8
523.34290	4.2
533.35059	9.5
541.35205	65.5
542.35785	3.6
559.36212	26.3
573.35345	2.9
583.36163	2.4
591.37329	6.1
609.39282	2.0
792.66101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	1.4
57.03431	21.3
57.07059	2.5
62.64381	1.0
62.97226	1.1
65.03932	6.1
67.05495	83.0
68.28002	1.3
69.03416	3.3
69.07061	14.3
70.55175	3.2
70.55571	2.1
71.04980	3.9
71.08608	1.8
77.03914	1.3
79.05482	54.9
81.03403	4.8
81.07044	67.0
83.04960	5.7
83.08609	7.8
85.06523	10.5
91.05470	40.6
91.06039	2.4
93.07032	50.8
95.04953	53.1
95.08595	35.9
97.02853	1.9
97.06488	8.3
97.10146	5.4
99.08075	2.0
103.05401	2.3
105.07013	28.6
107.04944	10.2
107.08576	28.1
109.02810	1.3
109.06504	65.2
109.10152	13.5
111.04425	2.9
111.08109	3.0
113.05984	25.8
115.05415	1.8
116.06241	1.7
117.06997	16.3
119.08565	20.3
121.06466	6.7
121.10130	15.8
123.08042	4.9
123.11678	2.4
128.06219	2.2
129.06972	8.4
130.07764	1.3
131.08549	21.4
133.06474	3.3
133.10101	15.2
135.08032	40.1
135.11676	10.7
137.09621	1.6
137.13217	1.4
141.06918	1.9
142.07732	1.5
143.08539	9.7
145.10103	14.8
147.08032	6.6
147.11633	6.4
149.09586	7.1
149.13223	6.1
155.08478	2.3
157.10101	6.0
159.07979	2.4
159.11699	8.3
161.09567	8.0
161.13252	4.1
163.11147	3.6
165.09024	1.6
165.12848	1.2
169.10127	2.4
171.11667	4.2
173.13258	3.9
175.11151	3.4
177.12773	3.0
177.96620	1.3
179.14276	4.3
181.12276	1.3
183.11595	2.2
185.13264	2.8
187.11223	2.2
189.12749	2.1
195.11646	1.9
197.13211	1.5
199.11166	1.6
199.14734	2.3
201.12778	1.8
213.12483	1.4
217.15820	10.9
227.17967	1.5
233.15472	1.4
237.16512	1.9
240.56784	1.1
245.19101	3.1
249.14876	1.8
255.17291	3.9
259.20502	1.7
261.21939	1.9
273.18445	36.8
275.20041	6.0
277.21530	4.3
291.19501	100.0
292.19919	1.8
309.20547	3.0
318.00989	1.5
335.25748	83.5
336.25919	3.3
347.22113	11.1
349.23676	2.7
365.23233	16.0
545.38239	1.3
567.40497	2.7
578.96478	1.6
607.43494	14.3
625.44525	63.4
626.44684	2.4
643.45660	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	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.5
57.07065	1.8
61.58852	1.6
65.03906	5.4
67.05493	76.2
69.03404	3.7
69.07056	13.0
69.49272	12.6
69.53674	1.4
71.04974	3.2
73.09572	1.6
76.31786	1.5
79.05481	53.5
81.03399	4.7
81.07041	71.9
83.04959	4.8
83.08598	6.8
85.02877	1.9
85.06517	10.4
86.09705	2.6
91.05463	37.1
93.07031	45.9
95.04949	57.0
95.08588	34.7
97.06516	9.1
97.10143	3.6
98.20731	3.2
99.04447	2.2
99.08047	1.5
103.05432	1.9
105.06998	24.1
107.04943	10.9
107.08575	29.5
109.06501	58.2
109.10133	12.1
111.04389	2.6
111.08069	4.6
113.05981	28.8
115.05453	2.5
117.06991	15.7
119.08553	22.3
121.06495	5.4
121.10123	16.9
123.08029	4.7
123.11670	2.8
127.03790	1.6
128.06186	4.7
129.06982	7.4
131.08556	18.9
133.06482	3.0
133.10100	12.0
135.07034	3.1
135.08031	42.5
135.11652	11.5
141.06895	2.4
142.07738	1.9
143.08548	8.8
145.06480	1.9
145.10086	14.6
147.08028	6.7
147.11682	5.6
149.09624	5.2
149.13231	5.9
157.10092	5.8
159.11676	6.9
159.25052	1.9
161.09590	9.6
161.13185	4.3
163.11137	6.2
171.11690	2.9
173.09528	2.0
173.13211	4.5
175.11194	2.7
175.14838	2.1
177.12665	3.8
184.07289	4.4
199.14763	2.8
217.15845	11.8
237.16507	2.3
245.54112	1.6
255.17543	3.4
273.18439	37.5
275.20065	2.8
276.20358	1.8
291.19485	100.0
292.19717	2.8
309.20697	2.8
335.25760	79.0
336.26221	2.3
341.25763	1.7
347.22107	9.7
349.23853	1.8
365.23251	17.4
366.23486	2.1
543.68835	1.8
547.93884	1.8
607.43317	11.4
625.44574	51.9
626.44421	3.8
735.71417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.3
57.07044	6.1
61.02905	7.2
64.02544	2.4
65.03914	5.9
67.05140	4.2
67.05496	84.0
68.05824	3.5
69.03417	11.7
69.07055	36.7
70.88063	6.3
71.05000	13.2
71.08611	3.7
73.02866	3.4
79.05483	67.0
80.05791	4.0
81.03404	26.0
81.07043	100.0
82.07378	9.8
83.04968	12.0
83.08608	19.5
84.39664	2.5
85.02877	8.8
85.06512	5.5
91.03939	3.9
91.05462	73.4
92.05780	6.6
93.07031	65.5
94.07365	3.9
95.04944	21.0
95.08593	54.3
96.08926	2.3
97.02859	9.1
97.06519	14.6
97.10144	10.0
99.04416	5.1
99.08054	4.9
103.62502	2.5
105.07014	68.1
105.20367	2.6
106.07314	4.9
107.04935	13.1
107.08578	46.0
108.08844	2.8
109.02827	4.7
109.06508	13.6
109.10132	31.8
110.10502	3.1
111.04391	5.2
111.08071	5.8
112.31394	2.7
113.05950	2.7
117.06982	31.6
119.08552	49.6
120.08918	5.1
121.06495	6.6
121.10120	27.7
123.08016	8.6
123.11673	9.9
125.09583	12.3
127.03867	4.1
128.06172	5.4
129.06985	17.8
130.07793	3.1
131.08554	38.1
133.06462	5.9
133.10107	37.4
135.08037	7.6
135.11703	17.3
137.09596	8.7
141.06984	6.8
142.07770	4.7
143.08533	21.2
145.06494	3.6
145.10092	39.1
146.10446	3.8
147.08003	4.7
147.11673	27.4
149.09586	10.9
149.13219	9.6
151.11119	5.8
155.08536	9.5
157.10107	21.8
159.08101	4.5
159.11656	22.6
160.12064	2.4
161.09631	3.8
161.13249	12.0
163.11137	8.8
163.14833	2.8
165.12825	3.5
167.08575	4.4
169.10059	9.8
171.07988	3.2
171.11653	17.8
173.13260	10.2
175.11137	5.0
175.14818	6.0
177.12660	3.8
179.08421	3.1
181.10092	6.4
183.11620	10.1
185.13303	12.5
187.11201	3.2
187.14766	4.9
191.14212	2.9
193.12106	3.3
197.13235	8.1
199.14864	5.4
201.16309	3.3
209.13214	5.9
211.14824	4.8
213.16396	3.7
223.14774	6.1
227.12706	6.1
229.14244	3.3
237.16217	3.2
239.17888	5.5
241.19463	7.3
247.20517	3.8
253.14389	6.0
257.18857	3.5
259.20496	16.1
267.15790	7.3
269.17203	2.5
273.18381	6.6
275.20038	34.7
276.20340	10.1
277.21301	7.7
283.15527	6.2
284.15610	5.2
293.21021	7.9
301.16547	2.7
301.25427	3.2
315.23022	3.9
333.24060	13.8
349.23721	16.9
350.24072	3.5
363.26352	2.9
367.25034	12.4
407.28256	3.6
466.30469	2.8
471.34280	3.1
513.35645	8.1
515.37354	17.3
527.37091	6.4
531.36926	2.7
533.39600	5.6
545.38660	3.2
551.40619	6.2
558.34808	9.0
567.39703	3.5
576.35193	4.7
607.43500	26.5
625.44641	37.2
626.45074	6.0
643.45490	23.2
655.84229	2.7
751.45154	3.4
787.49072	4.2
820.08044	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	805.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	43.7
57.07057	3.5
61.02921	16.4
65.03918	6.1
67.05492	89.0
69.03427	14.3
69.07055	35.1
71.01344	2.4
71.04973	15.7
71.70219	2.4
73.02895	9.2
79.05480	76.1
81.03401	20.3
81.07043	100.0
83.04956	13.2
83.08599	13.4
85.02883	20.4
85.06525	9.2
87.39845	2.1
91.03922	8.1
91.05461	66.7
93.07028	70.2
95.04958	23.8
95.08002	3.9
95.08587	55.5
97.02879	18.6
97.06506	25.0
97.10154	3.1
99.04437	2.2
99.08076	91.4
100.84431	1.7
101.02339	3.8
105.04455	3.1
105.07009	46.0
107.04931	29.3
107.08572	42.5
108.08898	2.9
109.02831	6.3
109.06502	30.3
109.10124	25.6
111.08054	9.1
113.05965	3.7
115.05411	3.3
115.07552	7.2
117.07005	23.6
119.04861	1.9
119.08557	37.2
121.06473	8.5
121.10116	31.4
121.32101	2.4
123.08020	8.4
123.11665	4.8
125.09596	1.9
127.03885	3.9
127.07531	43.6
128.06186	3.3
129.05455	4.1
129.06970	10.6
130.07753	2.1
131.08548	29.3
133.06459	8.4
133.10103	27.8
134.10538	2.1
135.08028	13.4
135.11671	15.2
137.09576	8.2
141.06909	3.3
142.07777	2.5
143.08537	12.1
145.06480	4.5
145.10114	23.2
147.07997	10.6
147.11644	15.5
149.09575	16.3
149.13251	8.4
151.11096	4.3
155.08527	6.6
155.10580	2.7
157.10091	9.7
159.08017	6.2
159.11697	13.8
161.09576	11.7
161.13203	7.9
163.11148	8.9
165.09111	3.3
165.12793	2.6
169.10072	4.3
171.11658	8.1
173.09567	5.0
173.13235	10.9
175.11159	8.3
175.14940	2.1
177.12790	3.0
179.10646	7.9
181.10146	3.0
181.12105	2.5
183.11649	7.2
185.13264	7.3
187.14783	3.6
189.12691	3.6
195.11703	3.2
195.13666	3.2
197.09555	2.4
197.13210	2.4
199.10995	2.2
199.14827	4.3
201.12631	5.0
201.16331	2.1
213.16493	3.1
217.15865	10.5
219.13760	3.6
221.15324	4.9
227.17963	3.3
233.15334	2.8
237.16298	6.4
243.20891	2.7
245.19008	3.6
255.17462	5.7
259.20520	5.6
261.22177	6.1
268.46075	1.9
273.18448	52.7
275.19968	8.2
291.19485	51.1
293.20947	4.4
303.19434	2.3
321.46588	2.1
333.24170	3.6
335.25757	89.7
347.22177	18.1
349.23871	2.6
365.18997	2.5
365.23248	31.6
381.20215	3.0
533.39783	3.0
607.43634	10.0
625.44537	35.1
626.44489	3.0
643.45514	70.3
643.56244	3.5
644.45880	3.8
787.49347	2.8
805.50092	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	805.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.2
57.07062	5.8
59.04980	2.7
61.02906	8.4
65.03929	6.5
67.05138	4.3
67.05495	88.2
68.05818	2.8
69.03425	11.4
69.07059	30.1
69.56166	17.1
71.04984	6.8
71.08603	2.9
73.02895	2.8
76.67042	1.8
79.05482	56.3
81.03407	12.3
81.07041	75.0
82.07390	3.3
83.04957	8.8
83.08605	58.4
85.02885	11.1
85.06548	5.2
91.03947	3.8
91.05460	60.1
93.07029	56.5
95.04951	28.6
95.08589	55.8
97.02879	9.8
97.06525	9.2
97.10138	11.9
98.20724	4.4
99.04417	2.6
99.08077	9.2
103.05448	2.5
105.07010	65.1
107.04939	12.0
107.08577	36.3
109.02834	3.5
109.06499	17.3
109.10139	27.9
111.04484	1.9
111.08050	11.6
113.09642	3.8
115.05390	3.9
115.78896	2.2
117.06991	27.6
119.08562	40.1
121.06450	9.2
121.10125	25.2
123.08055	7.1
123.11668	5.2
125.09594	6.9
127.03873	5.0
127.07539	3.4
128.06219	3.5
129.05464	2.2
129.06985	18.6
130.07755	2.6
131.04941	2.0
131.07555	2.2
131.08540	39.6
133.06462	4.9
133.10098	27.5
135.08015	7.0
135.11679	17.2
137.09593	4.8
139.11171	3.0
141.06949	6.5
142.07747	3.6
143.08536	21.7
145.06490	3.8
145.10091	32.0
147.08009	4.4
147.11671	21.1
148.12001	2.5
149.09604	11.9
149.13240	8.4
151.11205	4.0
155.08496	12.8
157.10091	18.7
159.08063	3.0
159.11652	21.2
160.12151	2.3
161.09590	4.5
161.13168	10.7
163.11148	10.7
163.14813	2.6
165.12729	2.7
167.08540	6.5
168.09180	2.1
169.10124	10.8
171.11687	17.0
173.09586	3.5
173.13210	17.5
175.11188	3.4
175.14799	5.0
177.12701	3.2
179.08488	2.6
179.14326	3.5
181.10097	7.9
183.11638	11.5
185.11819	3.1
185.13190	13.0
187.11148	2.8
187.14798	7.9
189.11211	2.9
189.12764	4.1
191.14297	2.1
193.10097	3.4
194.10597	1.9
195.11687	8.2
195.13591	2.0
197.13232	12.5
199.14844	9.1
201.16331	2.6
203.14334	3.2
207.11688	4.2
209.13239	6.6
211.14789	4.2
213.16360	5.0
217.15845	5.1
221.13235	4.4
223.13107	9.4
223.15086	2.2
225.16460	2.6
227.12630	3.9
229.14273	6.6
231.17384	6.7
239.17911	3.4
241.19511	10.2
255.17268	2.2
257.19006	5.6
259.20541	18.6
271.20572	3.0
273.18436	4.9
275.20029	26.3
277.21603	8.4
291.19553	3.3
293.21027	10.2
297.22031	2.4
299.16360	2.0
315.23221	4.6
331.22678	2.5
333.24265	14.4
335.25620	6.7
349.23654	14.4
351.25430	6.7
355.26642	2.1
365.23288	4.0
367.25009	9.4
397.31021	3.1
405.31567	3.1
423.32410	8.6
441.33459	4.3
461.34109	2.9
479.34344	3.5
497.36383	16.6
499.34140	8.9
513.35516	5.2
515.37988	6.3
517.35132	10.2
527.37347	3.2
529.35132	15.0
533.39404	5.4
543.36768	15.2
551.40894	3.9
555.36786	3.1
557.37830	3.7
607.43408	22.5
608.43799	2.6
625.44495	100.0
626.44568	5.0
643.45477	18.0
805.41064	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	805.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05813	0.9
57.03429	8.9
57.07059	2.8
61.02896	1.8
64.94805	1.0
65.03926	4.2
67.05494	56.9
69.03423	5.5
69.07055	27.0
71.04981	4.2
71.08602	2.2
73.02898	2.3
77.03896	1.4
79.05481	58.4
80.05814	1.4
81.03408	7.4
81.07043	100.0
81.58038	1.0
83.04977	5.9
83.08607	13.7
85.02900	3.0
85.06526	5.3
91.05465	59.8
92.05764	1.3
93.07029	55.7
94.07367	1.8
95.04954	13.8
95.05515	1.6
95.08588	41.2
96.08903	1.0
97.02870	2.7
97.06516	9.3
97.10144	3.5
99.08077	4.7
103.05444	1.9
105.04496	1.8
105.07011	65.1
106.07339	1.5
107.04952	9.5
107.08575	31.2
108.03305	1.0
109.02853	1.1
109.06497	16.6
109.10135	16.9
111.08054	3.5
115.05412	2.5
117.07001	18.1
119.08563	46.5
121.06512	4.7
121.10130	22.5
123.08035	8.0
123.11671	8.2
125.09643	2.9
125.68687	1.0
127.07522	2.3
128.06210	2.7
129.06967	12.3
130.07767	2.0
131.08554	26.4
133.06467	2.0
133.10103	32.9
134.10506	1.6
135.08006	5.6
135.11674	15.4
137.09599	4.4
139.11168	1.6
141.07019	2.2
142.07774	2.7
143.08551	9.8
144.09233	1.2
144.77101	1.0
145.06480	2.0
145.10100	22.8
146.10539	1.0
147.08041	3.6
147.11664	35.3
149.09596	8.9
149.13217	11.0
151.11134	2.8
152.13918	1.0
155.08563	3.1
157.10138	7.7
159.08025	2.4
159.11659	17.3
161.09561	2.8
161.13231	16.2
163.11099	6.4
163.14816	1.9
165.12749	3.8
167.08511	1.2
169.10147	3.4
171.08057	1.1
171.11642	9.9
173.09598	1.6
173.13248	11.4
175.11256	3.3
175.14828	8.5
177.12749	3.1
179.14281	1.9
181.10030	1.2
183.11641	5.4
185.13246	8.1
187.14769	3.8
189.12692	1.4
191.14342	2.4
193.12234	2.2
195.11737	2.3
195.13766	1.3
197.13200	3.6
199.14828	3.5
201.12708	1.8
201.16417	1.3
203.14394	1.2
207.13741	2.2
211.14835	3.0
213.12700	1.1
213.16328	2.7
215.17905	2.1
217.15825	1.2
221.13109	1.3
225.16481	1.7
227.17828	1.4
229.19414	2.0
229.77104	1.4
231.21082	3.3
239.17891	2.7
241.19522	14.1
247.20596	3.3
257.18985	7.8
259.20529	32.0
271.20462	1.3
273.18481	1.9
275.20023	37.3
276.20276	3.2
277.21634	4.3
286.13208	1.1
291.19672	1.4
293.21045	11.9
301.21594	2.4
313.21518	1.4
315.23270	4.8
333.24203	45.2
334.24530	2.4
335.25836	2.2
343.22757	1.2
349.23730	10.0
350.23813	1.2
351.25140	3.9
359.06091	1.1
365.23190	1.3
367.24823	22.6
373.23148	1.1
385.23593	2.4
403.24869	1.2
416.57870	1.1
459.27231	1.2
501.35663	2.4
515.38251	1.6
527.36584	1.5
533.39655	3.4
551.40515	2.9
607.43335	7.1
625.44489	16.7
626.44672	2.0
643.45233	4.3
733.46155	3.7
787.49518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
61.02929	0.7
63.81712	0.4
65.03931	0.9
67.05486	1.1
68.02866	0.5
69.03418	2.7
70.06606	1.0
70.29601	0.8
70.29996	1.5
73.02922	0.5
79.05485	2.1
81.03416	1.4
81.07043	0.7
82.06577	0.7
85.02895	2.7
87.04472	0.5
89.03895	0.7
89.91134	0.4
91.05474	1.2
92.04980	0.7
93.07027	1.9
94.06559	6.1
95.04946	1.1
95.07326	1.5
96.08116	5.3
97.02892	1.6
97.06519	0.6
105.05784	0.5
106.06525	1.3
107.07308	1.1
108.04474	2.2
108.08096	8.0
110.09667	6.6
116.04948	2.9
120.04462	3.7
120.08086	6.8
122.06024	6.1
122.09659	1.2
124.07584	6.9
127.03893	1.2
132.04445	0.7
134.06000	2.5
136.07567	10.5
138.05501	0.8
138.09123	10.2
144.04419	4.5
146.05962	6.0
148.07556	3.6
150.09120	0.8
152.07077	2.2
160.03932	4.2
160.07602	0.5
162.05476	4.0
164.07082	1.5
166.08606	14.4
167.07127	1.6
172.03918	24.2
172.07622	0.8
173.04283	0.9
174.05551	2.2
176.07008	3.8
181.08742	0.5
182.08281	0.6
182.09760	0.7
183.09123	0.8
187.08710	0.6
190.04959	18.9
196.09921	0.9
197.10776	2.3
199.08614	1.1
199.12270	1.3
204.06537	43.8
205.06909	0.9
207.09207	0.6
209.10774	1.3
210.09227	1.5
211.08659	3.2
211.12440	0.7
212.09460	2.3
213.10201	1.2
223.08664	0.9
223.12305	0.9
224.09419	1.7
225.06697	0.6
225.10181	8.6
226.11012	0.8
227.11754	13.1
235.08644	0.9
236.07317	0.5
236.09470	2.0
237.10184	2.9
238.07185	0.6
238.11026	1.3
239.11716	4.4
241.09746	1.9
241.13408	1.5
245.12888	1.0
249.10275	2.2
250.10829	1.1
251.08046	0.7
251.11830	2.6
252.08919	0.8
252.12651	0.7
253.09680	6.2
253.13326	1.4
255.11266	2.0
261.10345	0.6
262.11185	0.7
263.08286	0.8
264.08820	3.0
265.09778	2.1
266.10605	1.1
267.11258	3.3
269.12799	15.6
271.10703	10.8
271.13705	0.8
273.12323	4.4
277.09787	1.6
278.10297	0.8
279.11212	4.5
280.12027	0.6
281.09433	0.8
281.12964	2.2
282.09967	0.6
283.10724	6.0
284.11548	5.2
285.12329	5.6
286.13101	1.1
287.13858	14.1
291.11157	0.7
293.09210	0.7
294.09982	1.1
295.10806	1.8
297.12354	9.6
299.13922	4.1
300.11612	0.6
305.09183	0.7
307.10696	2.6
309.12366	1.6
311.10553	0.6
312.15048	1.6
313.12964	1.6
314.12906	2.0
315.13632	2.0
316.11072	1.1
316.14481	2.2
317.15308	0.7
321.08704	0.7
321.12335	1.2
323.10245	6.9
324.11090	0.9
325.11755	19.8
326.12750	0.8
326.16595	1.4
327.13495	2.6
327.17395	2.2
328.10767	2.3
328.14502	3.5
329.11539	0.6
329.15134	1.6
330.12338	1.2
330.16064	2.7
331.16870	2.0
334.08994	0.9
337.12051	0.7
339.13852	1.2
340.14676	1.1
341.11859	1.0
342.12320	6.6
342.16049	1.0
343.12906	7.1
343.16806	0.6
344.13770	2.1
344.17688	1.0
352.14722	0.6
354.12280	1.2
354.16104	1.7
355.13486	1.8
356.13852	7.2
356.17691	0.8
357.14404	19.5
357.18610	1.0
358.15366	4.8
365.11176	1.1
366.16040	0.9
367.13080	1.2
368.09955	0.8
368.17947	0.9
370.11761	0.9
370.15601	5.3
371.16269	1.0
372.17181	1.3
378.18124	1.2
380.13965	0.8
382.11542	3.7
382.16061	0.6
383.12463	2.7
384.13184	6.0
385.13962	2.7
386.14703	2.0
386.18964	3.5
387.15619	0.7
388.16605	0.7
390.18036	4.1
394.15485	1.3
397.14273	0.9
398.14923	20.7
399.15738	29.5
400.16476	2.9
402.18240	1.5
404.15930	6.1
410.15378	0.7
412.16592	2.6
414.18173	4.5
416.15967	19.5
417.16544	1.7
418.17444	0.8
422.16718	2.2
428.15860	3.3
430.17502	3.5
431.18134	1.0
440.15988	7.6
446.17020	9.8
448.19250	0.5
458.17044	28.7
459.17575	1.5
460.19083	0.7
476.19073	0.5
478.19730	2.4
487.17090	9.2
489.18890	0.6
490.19611	11.5
519.19489	1.8
541.24335	1.5
551.22980	1.1
565.24078	1.1
567.26141	1.3
569.23730	3.9
570.25146	0.7
575.22620	0.6
583.26074	2.4
593.23932	6.6
610.23730	0.8
611.24902	100.0
612.25128	3.6
620.22552	0.7
625.26740	0.6
643.27563	14.1
745.30579	0.8
773.30115	21.3
774.30414	1.1
805.33038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02386	0.5
57.03442	0.7
61.02914	1.0
62.10783	0.5
62.48664	0.5
65.03927	1.5
67.05484	1.4
69.03426	2.7
69.07072	0.7
70.06590	0.5
70.47279	1.9
71.04991	0.5
79.05489	1.7
80.04964	0.6
81.03397	1.3
81.05782	0.8
81.07030	0.6
82.06567	1.1
85.02868	3.8
89.03903	0.6
91.05469	2.0
92.04999	0.9
93.05763	1.0
93.07041	2.5
94.06553	6.1
95.04980	0.9
95.07325	2.2
96.08109	6.3
97.02887	1.5
97.06536	0.8
103.05466	0.8
106.06552	1.6
107.04936	0.5
107.07307	1.0
108.04444	2.6
108.08104	8.9
109.02852	0.7
110.09655	7.7
116.04953	3.2
118.06534	1.0
120.04444	4.7
120.08073	9.3
120.08862	0.6
121.06518	0.7
122.06007	6.4
122.06828	0.7
122.09694	1.2
124.07586	6.7
127.03941	0.6
132.04430	0.6
134.06001	4.5
136.07559	11.4
137.05965	1.2
137.08336	0.7
138.05464	0.7
138.09113	11.0
144.04404	4.1
144.08066	1.0
146.05978	6.5
148.07539	4.7
150.05438	0.6
150.09135	1.8
151.07588	0.6
152.07086	2.0
158.05994	0.4
158.08408	0.5
160.03937	3.0
162.05447	4.1
163.03935	0.4
164.07040	2.2
166.08611	17.0
167.07031	3.5
167.08429	0.4
172.03896	25.4
172.07558	0.7
174.05472	2.2
176.07027	3.2
181.05026	0.6
182.09695	0.6
183.09219	0.9
184.09988	1.0
185.10832	0.8
186.05458	0.8
186.09325	0.5
186.11485	0.5
190.04950	20.7
196.07629	0.6
196.09927	0.6
197.10745	2.4
198.11426	0.6
199.08636	1.1
199.12215	2.5
204.06526	42.2
205.06917	0.9
207.09161	0.5
209.10776	1.8
210.07674	0.8
210.09415	1.0
210.11554	1.8
211.08540	3.2
211.12326	1.0
212.09435	1.8
213.10223	1.3
221.10579	0.8
222.07605	0.6
223.08640	1.4
223.12248	1.1
224.09227	2.2
225.10159	9.5
226.10988	1.5
227.11740	15.6
228.12248	0.5
232.96518	0.5
233.10701	0.5
235.08675	1.2
236.09457	2.1
237.10217	4.0
238.11023	1.9
238.95168	0.5
239.11736	5.3
241.09689	1.9
241.13374	1.4
245.12956	1.1
249.10204	2.9
250.11012	1.1
251.07947	0.5
251.11829	3.8
252.08936	0.8
253.09669	5.5
253.12363	0.6
253.13229	0.7
255.11230	2.5
263.08121	1.5
263.11816	1.1
264.08850	3.9
265.09714	1.9
266.10413	1.5
267.11172	3.5
269.12793	16.7
270.13400	0.6
271.10736	8.5
273.12347	3.4
274.10767	0.5
277.09610	2.2
278.10532	0.9
279.11243	5.4
280.12097	0.7
281.09241	1.4
281.12909	1.9
283.10748	5.9
284.11490	4.1
285.03864	0.8
285.12320	5.4
286.13120	1.0
287.13873	14.2
291.11227	0.8
293.09146	0.7
294.09940	1.1
295.10864	2.0
296.11554	0.7
297.12311	10.4
299.13947	5.7
300.11362	0.6
301.12262	0.8
302.13019	1.1
307.10715	2.8
309.12390	1.5
311.10733	0.8
311.14157	1.0
312.11777	0.7
312.14951	2.2
313.12689	1.7
314.12845	2.6
315.13873	1.2
316.11292	0.6
316.14563	2.1
319.10645	0.5
321.12296	1.1
323.10172	6.7
323.13763	0.6
325.11758	21.4
326.12814	1.2
326.16656	1.6
327.13644	3.3
327.17349	1.2
328.10815	2.9
328.14514	2.2
329.11737	0.8
329.15289	1.5
330.12570	1.0
330.16077	2.0
331.16754	1.4
335.10031	0.7
337.12177	1.0
338.12982	0.8
339.13654	2.0
340.14615	1.5
341.11603	1.6
341.15488	1.2
342.12283	7.0
342.16000	1.1
343.13013	7.8
343.16959	0.8
344.13849	2.2
344.17621	1.0
352.14471	0.8
354.12152	1.0
354.16098	1.5
355.13626	1.8
355.17444	0.7
356.13818	6.3
356.17581	0.6
357.14432	18.1
358.15421	4.6
360.17139	0.6
365.11356	2.0
366.15982	1.1
367.13147	1.7
368.14139	1.5
369.15729	0.9
370.11633	1.0
370.15549	6.1
371.16272	1.7
372.17133	0.9
378.18222	1.0
380.14026	1.4
382.11676	4.6
383.12592	2.9
384.13025	4.8
384.17740	0.7
385.13901	2.2
386.14371	3.0
386.19397	2.8
387.15253	0.7
388.16422	1.3
390.18149	3.6
394.15369	1.0
396.17325	0.7
397.15317	1.1
398.09628	0.9
398.14932	20.4
399.15714	29.5
400.16385	3.5
401.13486	0.9
402.18185	1.3
403.14987	0.7
404.15964	6.1
412.16479	2.9
414.18225	5.5
416.15942	17.9
417.16589	1.2
422.17090	2.2
428.16006	5.7
430.17661	4.0
440.15939	8.0
441.15060	1.9
446.17065	13.2
447.17535	0.7
448.18652	1.1
458.17023	34.0
459.17517	1.6
469.16257	0.9
476.18628	0.6
478.19675	1.7
487.16904	7.2
490.19669	10.2
491.19897	0.5
515.65308	0.5
519.19928	0.6
520.20929	0.8
522.22369	0.6
551.22418	0.7
564.34998	0.6
565.24304	1.6
567.25916	2.0
569.23602	5.0
575.22705	1.0
583.25330	2.1
593.23828	7.8
594.22742	0.8
611.24890	100.0
612.25171	4.7
620.22577	0.7
626.25079	2.3
643.27563	9.9
729.31177	1.0
731.29108	0.6
745.30896	1.2
755.28894	0.6
773.30048	16.5
774.29846	0.7
805.33099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.8
59.04990	2.1
61.02912	3.9
65.03926	3.3
67.05495	52.7
69.03428	8.5
69.07063	17.8
70.06573	4.0
71.01336	3.1
71.04965	4.4
71.70509	1.7
72.08147	1.4
79.05483	49.7
81.03418	15.8
81.07047	76.9
82.07371	2.9
83.04974	13.6
83.08613	22.2
84.08128	2.4
85.02891	7.4
85.06532	3.6
85.83533	1.3
88.13370	1.3
91.03931	1.9
91.04919	2.9
91.05473	46.2
92.05804	1.7
93.07037	37.6
94.07375	1.7
95.04961	21.4
95.08591	21.4
97.02870	9.0
97.06516	11.6
97.10159	23.8
99.00807	16.0
99.04421	3.7
99.08067	2.4
103.05448	3.5
105.04569	2.1
105.07017	39.2
106.07304	2.2
107.04938	13.4
107.08582	26.6
109.02871	9.4
109.06499	11.9
109.10143	18.3
111.04441	11.7
111.08073	9.5
113.05988	2.4
115.03944	1.9
115.05461	2.8
117.07001	18.8
118.39980	1.2
119.04886	3.7
119.08567	37.3
121.06492	13.7
121.10107	14.1
123.04401	2.4
123.08047	18.9
123.11700	2.2
125.09618	19.4
127.03887	1.8
128.06239	2.5
129.07037	7.7
131.08533	15.9
133.06485	5.7
133.10114	42.0
134.10469	1.4
135.08051	10.5
135.11673	12.2
137.09628	6.9
139.07513	4.7
139.11188	3.4
141.07008	1.6
143.08539	11.9
145.06468	4.4
145.10098	17.4
147.08026	12.1
147.11674	9.6
149.09604	8.0
149.13205	1.8
151.11156	11.4
153.09119	3.5
153.12695	3.8
157.10097	6.2
159.08040	2.5
159.11644	6.6
161.09599	25.5
161.13245	2.2
163.11147	17.5
165.09067	6.2
169.10068	3.0
171.08028	4.2
171.11626	3.6
173.09630	4.0
173.13190	2.8
175.11139	4.5
177.12779	2.3
179.10689	9.4
181.12215	3.9
185.13165	2.3
187.11191	2.6
189.09137	8.1
189.11203	15.1
189.12706	2.7
191.10600	4.1
193.12215	3.0
195.13866	1.6
197.11713	3.9
199.11075	1.8
207.10088	2.4
209.11703	3.1
211.13126	2.0
223.13249	5.2
225.11174	12.6
227.12737	22.1
227.17894	2.5
243.12312	2.9
245.18996	3.3
255.17558	3.1
263.20151	2.3
273.18454	41.7
275.20020	7.4
276.20328	2.9
281.13803	6.3
283.15320	5.3
289.18066	1.6
291.19492	82.9
298.04733	1.6
299.14841	100.0
300.15338	1.9
309.20596	11.9
347.22086	9.8
349.23602	4.0
350.24194	2.0
365.23203	37.0
366.23651	3.0
383.24252	17.6
469.24292	4.1
493.28241	2.5
525.26483	2.1
553.31390	2.7
561.33881	4.1
571.32629	12.7
587.38867	1.9
589.33685	53.1
590.34094	2.4
607.34686	38.2
608.34875	2.4
624.43097	2.5
638.77716	1.8
642.44299	1.9
775.55322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.4
57.07059	3.8
61.02912	12.2
62.25635	1.5
65.03922	7.2
67.05493	91.9
69.03419	25.4
69.07056	44.8
70.38354	8.1
71.01342	1.8
71.04984	11.6
73.02915	9.5
77.03902	1.8
79.05479	77.9
81.03404	35.7
81.07043	100.0
83.04967	19.1
83.08607	28.5
85.02892	21.0
85.06527	5.5
91.03917	3.9
91.05465	75.1
91.06041	3.7
93.07030	65.9
95.04948	36.9
95.08590	56.2
96.08922	1.7
97.02892	20.2
97.06514	21.9
97.10167	12.2
99.04431	7.4
99.08075	7.4
101.02312	3.3
103.03928	1.6
103.05470	3.3
105.07011	66.7
107.04946	17.9
107.08578	45.6
109.02879	7.7
109.06503	21.7
109.10143	26.3
111.04451	7.6
111.08078	7.6
113.05986	2.5
115.05466	6.5
115.07566	4.2
116.06283	1.8
117.06999	26.6
119.08563	48.1
120.08862	2.5
121.06497	10.8
121.10118	28.2
123.04420	3.1
123.08051	9.9
123.11674	7.9
125.09631	11.2
127.03911	11.2
127.07538	4.1
128.06204	7.4
129.05519	2.3
129.06996	18.3
130.07765	1.9
131.04941	2.4
131.08540	36.9
131.09457	2.9
133.06493	6.8
133.10110	35.6
135.08023	12.1
135.11661	12.8
137.09595	7.0
139.11179	3.6
141.06970	6.3
142.07793	2.9
143.08557	17.8
145.06499	4.9
145.10110	32.3
147.08037	7.7
147.11662	25.4
149.09598	17.5
149.13229	8.8
151.11156	5.5
153.12622	1.9
154.07719	2.7
155.08519	13.3
157.06415	1.7
157.10095	17.5
159.08075	4.8
159.11676	21.3
161.09590	7.1
161.13239	9.2
163.11172	16.9
165.06979	3.6
165.08998	2.2
165.12750	4.9
167.08531	5.1
169.10098	13.3
169.19122	2.0
171.08000	4.1
171.11641	11.8
173.04510	4.5
173.09621	6.4
173.13275	11.5
175.11055	8.0
175.14772	2.6
177.12714	5.4
179.08501	1.8
179.10667	2.1
179.14323	1.8
181.10118	6.4
183.11617	11.8
185.09509	3.1
185.13184	8.7
187.11143	6.3
187.14763	4.8
189.11162	6.4
189.12720	4.8
189.16310	2.2
191.14308	3.3
193.10104	3.2
195.11682	5.9
195.13583	2.4
197.09615	3.0
197.13229	9.0
197.14731	1.6
199.11183	3.4
199.14815	4.8
201.12776	4.0
201.16365	2.8
203.12686	2.5
205.10330	2.0
205.12021	3.2
207.11624	2.0
209.13243	4.9
211.11078	2.3
211.14815	3.8
213.12772	2.4
215.14238	3.5
221.13268	3.9
221.15199	2.2
223.13091	8.5
225.16356	3.6
227.12677	6.1
227.17877	2.4
229.19548	2.6
233.15289	2.0
233.18996	2.0
237.12671	1.7
237.16464	2.0
239.17857	4.5
243.17407	1.8
245.13333	1.8
247.20601	3.6
251.18034	2.0
255.17395	1.7
257.18967	14.7
259.20422	2.2
271.20700	2.2
273.18524	4.1
275.20026	68.8
275.23041	3.8
277.21774	2.1
289.21661	2.5
291.19534	5.6
293.21185	14.9
301.21677	1.9
307.22693	2.4
308.02560	1.6
313.21362	2.0
329.21045	2.2
331.22443	2.3
335.25705	5.8
339.23163	2.1
347.22330	1.8
349.23672	30.1
365.23459	2.3
367.24802	8.3
391.24600	1.9
401.23151	2.1
419.23923	2.1
455.31177	1.9
459.31979	1.9
481.32974	2.2
483.34592	1.7
493.27823	1.8
513.36066	2.8
527.37238	2.1
531.38257	4.0
543.36560	3.5
549.39429	3.8
553.38678	2.2
565.38708	1.8
567.40533	3.5
595.43390	2.4
605.41705	5.2
623.43091	34.2
624.42621	2.3
641.44043	35.6
642.44031	3.0
705.41199	1.8
767.45953	2.3
785.47308	5.3
803.49078	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	19.2
57.07043	2.6
61.02918	9.6
65.03915	6.7
67.05492	85.9
69.03419	9.6
69.07053	22.4
71.04975	6.0
71.21630	2.5
71.21938	3.1
73.02908	4.2
79.05020	4.0
79.05478	70.7
80.05817	2.4
81.03404	23.2
81.07041	100.0
83.04955	8.6
83.08594	14.8
85.02883	7.2
85.06514	8.2
91.05463	78.4
91.06029	4.2
93.07024	61.3
95.04948	53.0
95.08588	42.4
97.02872	8.2
97.06509	16.2
97.10137	5.5
99.04452	2.9
99.08079	3.0
103.05461	5.2
105.04496	2.7
105.07009	65.4
107.04919	22.6
107.08572	35.6
109.02830	4.1
109.06493	63.8
109.07204	4.1
109.10139	13.4
111.04403	3.3
111.08057	5.6
113.05978	24.3
115.05418	5.3
117.07008	29.0
119.08556	44.2
121.06484	12.3
121.10118	20.9
123.08014	12.4
123.11688	8.2
125.09576	3.5
127.03893	6.3
128.06160	6.7
129.06964	18.8
130.07739	2.3
131.08530	39.8
133.06456	6.5
133.10100	29.3
135.08012	31.9
135.11644	17.4
137.09592	5.8
141.06953	8.1
142.07724	2.4
143.08534	18.7
145.06458	7.2
145.10088	34.9
147.08102	9.8
147.11646	20.1
149.09593	7.7
149.13277	9.1
154.07724	2.4
155.08495	9.4
156.09250	2.9
157.10095	15.4
159.07994	4.7
159.11661	22.1
161.09554	7.5
161.13217	11.7
163.11131	8.9
163.14752	2.3
165.09071	3.1
165.12799	4.5
169.10094	9.9
171.07991	2.6
171.11649	11.6
173.04440	6.9
173.09503	3.7
173.13226	12.5
175.11180	4.9
175.14801	5.5
177.12714	7.7
179.08466	2.2
179.14302	3.0
181.10049	6.4
183.11624	7.2
185.09570	3.1
185.13306	9.2
187.11166	6.3
187.14790	5.4
189.16296	2.6
195.11691	4.3
195.13777	2.8
197.13280	3.8
199.11273	2.6
199.14787	7.1
201.12698	4.3
201.16380	2.7
209.13193	4.5
211.10912	2.3
211.14827	3.6
215.14308	4.7
217.15807	7.3
227.17909	3.0
229.14294	2.2
229.19452	3.4
235.14691	2.4
239.17844	4.1
241.19464	6.7
247.20676	2.4
255.17462	5.0
257.18945	8.2
259.20428	10.7
273.18460	21.8
275.20020	25.2
277.21704	1.9
279.07043	2.2
279.15900	19.6
291.19501	53.9
293.20987	3.8
297.16910	3.2
315.23010	5.8
327.26697	5.3
333.24179	24.4
347.22006	6.7
349.23611	10.8
365.23138	9.7
367.24817	3.3
423.27768	2.0
513.36646	2.3
531.38416	4.6
541.35309	2.9
543.36487	5.8
549.38757	5.4
565.38446	2.7
583.40094	2.2
605.41821	17.0
623.42944	78.5
624.43549	10.1
641.44061	25.6
642.44061	5.0
693.20764	2.2
785.47382	2.7
803.48682	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	803.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	7.6
57.07049	3.4
61.02906	3.0
65.03925	3.6
67.05492	62.0
69.03422	18.1
69.07056	26.5
70.22256	2.6
70.22673	4.8
71.04993	8.9
73.02888	2.1
79.05480	51.3
79.05930	3.3
81.03407	32.1
81.07041	100.0
83.04973	10.5
83.08595	13.7
85.02895	10.2
85.06535	4.5
91.05466	46.5
93.07034	45.0
95.01329	1.8
95.04958	21.7
95.08591	37.1
97.02866	12.8
97.06511	15.4
97.10152	6.7
99.04467	3.6
99.08077	3.3
103.05446	2.0
105.07015	48.2
107.04942	14.4
107.08578	31.3
107.09205	0.9
109.02846	9.2
109.06501	23.4
109.10141	16.3
111.04424	4.4
111.08056	6.5
115.05433	2.6
117.07005	18.6
119.04942	1.8
119.08562	36.7
121.06470	6.6
121.10131	19.1
123.04422	3.4
123.08039	8.9
123.11716	9.3
125.09620	4.5
127.03887	11.3
128.06198	2.4
129.05449	3.2
129.06973	8.5
131.04884	1.6
131.08551	22.4
133.06476	4.6
133.10112	25.2
135.08037	8.0
135.11659	9.4
137.09593	5.7
141.07014	2.4
141.32478	1.4
142.07758	2.6
143.08528	8.5
145.06487	3.1
145.10112	19.0
147.08034	3.1
147.11665	22.5
149.09644	8.3
149.13246	8.5
151.07632	1.6
151.11186	4.6
155.08525	5.4
157.10126	7.2
159.08009	2.7
159.11687	16.8
161.09584	4.1
161.13239	6.7
163.11151	8.6
163.14766	1.9
165.12726	6.6
167.08357	2.2
169.10097	6.3
171.11687	5.0
173.04466	8.9
173.09637	4.4
173.11813	2.3
173.13229	8.7
175.11151	4.1
175.14824	2.8
177.12733	3.5
179.08513	1.4
179.14388	3.4
181.10063	2.7
183.11661	6.7
185.13255	3.6
187.11200	2.8
187.14824	2.0
189.12804	2.0
191.10651	1.9
191.14285	2.6
193.12212	2.4
195.11662	1.5
197.13213	3.5
199.11295	2.2
199.14801	2.2
201.12672	1.9
207.13789	1.9
211.14928	1.9
219.13857	2.1
219.17418	1.7
221.13263	2.6
227.12619	2.9
229.14212	2.7
229.19513	5.5
239.17892	6.6
245.19130	2.2
247.20540	6.5
257.19019	13.6
267.15872	4.2
273.18512	3.8
275.20023	80.4
275.90350	1.5
276.20374	2.9
277.21716	2.2
287.20020	1.6
291.19464	4.0
293.21051	11.5
301.21384	1.7
313.21497	1.8
331.22540	3.6
349.23694	32.8
359.22125	2.2
367.24698	10.8
383.21951	2.7
391.24536	1.7
401.23010	3.2
419.24271	4.2
437.14728	1.7
437.24921	2.1
457.25995	1.8
475.26328	1.9
493.28076	3.2
543.36633	8.1
549.39465	1.9
623.43079	19.2
624.42877	2.1
641.44135	18.8
683.44159	1.7
687.40326	2.5
705.41010	2.9
785.47827	3.0
803.48413	5.5
813.63208	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	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03178	1.0
57.03428	7.7
57.07062	2.5
59.04991	1.0
61.02908	1.7
65.03931	4.5
67.05495	54.1
67.35944	0.9
68.05811	1.9
69.03423	14.9
69.07056	28.0
70.02833	4.2
70.57935	0.7
71.04990	5.6
71.08615	1.9
71.82000	0.7
73.02897	1.4
75.36562	0.9
77.03899	1.1
79.05482	47.8
80.05785	0.9
81.03406	24.2
81.07042	100.0
82.07400	1.8
83.04965	10.0
83.08606	11.6
85.02890	5.7
85.06538	2.9
85.44453	0.7
91.03925	1.1
91.05465	43.4
92.05809	1.0
93.07030	33.9
94.07349	0.9
95.01302	1.0
95.04952	17.4
95.05513	1.5
95.08590	33.3
96.08912	0.8
97.02870	9.2
97.06512	14.5
97.10154	4.5
98.21378	1.1
99.04436	3.3
99.08089	4.4
103.03955	1.5
103.05455	1.9
105.04542	0.9
105.07014	43.1
106.07287	0.9
107.04938	11.6
107.08575	22.4
109.02878	5.9
109.06502	21.3
109.07207	1.5
109.10141	13.0
111.04449	3.0
111.08089	5.1
115.05452	2.8
116.06203	1.4
117.06996	15.5
119.04922	1.2
119.08556	28.5
121.02896	0.8
121.06517	6.8
121.10124	16.7
123.04414	2.3
123.08045	8.2
123.11690	7.4
125.09644	3.7
127.03896	7.8
127.07523	1.1
128.06232	2.8
129.05525	1.4
129.06966	8.3
130.07799	1.7
131.04900	1.7
131.08549	19.7
133.06424	3.8
133.10100	19.3
135.08040	8.6
135.11670	7.7
137.05934	1.5
137.09605	5.1
137.13203	1.0
137.96815	0.7
139.07593	1.3
139.11157	1.6
141.06989	3.5
142.07788	1.4
143.08522	7.0
144.05669	1.0
145.06448	3.7
145.10110	17.2
145.11230	1.4
147.08069	5.2
147.11667	21.5
149.06007	1.5
149.09605	11.7
149.13232	8.3
151.07530	1.5
151.11166	2.8
153.06987	0.9
153.09030	0.9
155.08575	3.4
157.06494	1.4
157.10117	7.3
159.08096	3.4
159.11667	11.1
160.12064	0.8
161.05972	1.1
161.09654	3.1
161.13213	5.4
163.07593	0.9
163.11176	8.6
163.14801	2.9
165.06877	1.1
165.09106	1.4
165.12766	6.7
167.08598	1.7
167.14311	1.2
169.10069	4.5
171.08102	1.1
171.10310	1.3
171.11647	5.5
171.56889	0.8
173.09616	2.8
173.13216	6.4
175.07558	1.1
175.11143	4.3
175.14848	1.5
177.09085	1.3
177.12772	3.5
179.07124	0.8
179.08517	1.2
179.10632	1.0
179.14270	1.8
181.10141	1.6
183.08086	1.0
183.11642	4.2
185.09644	1.5
185.13231	2.5
187.11214	3.1
187.14842	2.3
189.09145	1.6
189.11125	1.3
189.12732	1.6
191.10664	1.7
191.14336	1.4
193.12244	3.3
195.11722	1.3
195.13727	0.9
197.13297	3.3
199.11208	1.2
199.14806	1.5
201.09085	0.9
201.12773	2.6
203.10706	0.9
205.12245	1.7
205.19456	0.8
207.13928	0.8
211.14819	1.0
213.12755	1.0
213.16371	1.4
215.14397	1.4
219.13806	0.8
223.13127	1.1
227.12714	1.6
229.19421	3.5
233.15381	0.9
237.12567	0.9
239.17957	3.2
247.20607	6.6
249.14752	1.3
255.17461	1.0
257.19028	8.4
259.20605	2.8
265.21597	0.8
267.15939	2.5
273.18552	3.2
275.20029	65.5
276.20361	3.8
277.21594	1.1
291.19525	2.9
293.21069	12.6
299.20193	1.5
313.21655	1.1
317.21066	1.4
317.88467	0.7
329.21075	2.1
331.22681	1.8
337.21298	1.0
341.21185	2.3
347.22510	1.0
349.23724	27.4
350.24081	1.4
355.22964	1.4
359.22049	1.8
367.24747	13.8
371.22214	1.2
373.23788	1.6
383.22141	4.4
391.24460	1.4
395.24121	1.0
401.22974	4.7
419.24353	4.7
433.25763	1.0
451.31662	0.8
457.25903	1.4
475.26947	3.0
493.27960	3.4
511.28610	1.2
513.36932	1.0
543.37018	1.5
549.38202	2.6
575.38916	1.1
605.42627	1.0
623.42987	16.6
624.43115	1.8
639.41925	0.8
641.44086	11.1
642.44086	1.7
659.44965	2.6
663.52448	0.9
683.44470	1.0
695.44684	1.1
749.46265	2.1
762.57043	0.9
767.46979	2.3
785.34497	0.8
785.47369	3.8
803.49298	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	801.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	14.6
57.07035	2.5
59.04990	1.4
60.59578	1.2
61.02906	5.5
65.03924	8.8
67.05492	78.3
68.05801	2.1
69.03416	28.7
69.06687	2.5
69.07052	39.7
69.98342	4.4
69.98772	4.7
71.01325	3.1
71.04395	1.8
71.04989	12.4
73.02884	4.9
77.03923	1.3
79.05479	80.9
81.02941	1.9
81.03404	46.5
81.07040	100.0
82.07358	2.2
83.04965	18.0
83.08601	20.7
85.02889	16.8
85.06509	5.7
91.05463	76.9
93.07027	53.9
95.01295	1.7
95.04951	34.8
95.08590	44.7
97.02872	21.4
97.06519	18.1
97.10153	21.2
99.04429	7.2
99.08081	4.1
103.05406	3.4
105.04494	3.9
105.07010	61.0
107.04935	24.1
107.08573	49.5
109.02862	12.5
109.06499	24.5
109.10133	24.9
111.04419	11.1
111.08068	7.7
113.06004	2.6
115.05412	8.6
116.06181	1.6
117.06998	32.8
119.04893	3.8
119.07726	3.0
119.08557	45.7
120.27136	1.2
120.28146	1.3
121.06482	14.7
121.10133	21.1
123.04388	5.2
123.08047	19.4
123.11668	6.2
125.05940	2.0
125.09608	15.2
127.03888	12.7
128.06181	7.2
129.05423	2.5
129.06972	19.8
130.07742	2.5
131.04874	3.8
131.08545	35.3
133.06471	8.9
133.10104	30.6
135.04391	2.1
135.08020	14.4
135.11659	12.1
137.05945	3.2
137.09575	9.5
139.11081	1.5
141.06976	6.1
142.07759	2.6
143.08528	18.3
144.05708	2.0
144.09207	1.8
145.06461	9.5
145.10091	30.3
147.04445	2.1
147.08014	16.3
147.11639	17.7
149.05907	2.7
149.09578	17.9
149.13239	4.5
151.11195	4.2
153.06979	2.6
153.09096	3.5
153.12700	4.1
155.08554	14.7
156.09215	1.9
157.06398	2.0
157.10077	15.1
159.08003	10.2
159.11679	21.1
161.05939	2.4
161.09573	14.4
161.13234	6.1
163.11156	17.2
163.14746	2.1
165.06935	3.4
165.09082	4.5
165.12720	5.3
167.08514	5.9
169.06461	2.4
169.10139	11.0
171.08025	4.4
171.11609	13.1
173.04466	10.9
173.09604	9.0
173.11781	3.2
173.13164	8.2
175.11145	8.1
175.14784	2.3
177.09067	1.7
177.12723	5.0
179.08521	3.1
179.10721	1.5
179.14200	3.4
181.10081	6.4
181.12180	2.8
182.10922	1.5
183.08038	3.6
183.11615	6.6
185.09563	6.3
185.13229	6.3
187.11154	8.3
187.14772	3.3
189.09200	3.4
189.11163	14.5
189.12784	5.3
191.10649	4.3
191.14189	1.8
193.10149	3.1
193.12152	5.3
195.11708	4.6
197.09595	3.1
197.13214	6.0
199.11185	5.3
199.14723	3.9
201.12709	3.6
203.10538	2.8
203.14244	2.0
205.10126	2.3
205.12093	2.6
207.11740	2.6
207.13594	1.9
209.09731	2.3
209.13222	3.4
211.11140	3.9
211.14822	3.5
213.12746	4.6
213.16379	2.7
215.10587	2.1
217.15767	1.9
219.11688	1.9
219.13675	2.3
221.13277	2.4
221.15350	2.6
223.11313	1.7
223.13214	4.5
223.15018	2.0
225.16393	2.3
227.12656	16.1
227.17868	2.5
229.12274	3.1
229.14240	2.4
229.19432	3.2
233.15338	1.7
237.16371	2.6
239.10680	1.7
239.17845	3.7
245.18970	4.1
247.20526	3.3
249.14778	1.9
255.17387	4.7
257.18964	11.9
259.20618	2.0
265.14175	1.9
265.19556	1.5
267.15457	1.8
273.18433	37.0
275.20020	45.7
276.20584	2.1
287.16739	1.7
289.17923	1.8
291.19492	41.5
293.21100	5.3
299.19934	2.7
311.19864	2.5
313.21375	2.4
315.19461	3.7
323.19925	1.7
329.21106	3.3
331.22690	3.0
335.19632	1.8
339.19217	2.6
347.22137	14.4
349.23685	23.4
353.21030	2.5
355.22485	2.0
357.20560	2.5
365.23273	11.5
367.25085	2.3
375.21710	1.9
381.20151	1.8
383.22202	3.1
388.55008	1.9
399.21588	2.9
417.22427	2.8
419.24042	2.0
435.28967	1.6
491.26273	1.8
493.27734	2.5
519.32605	1.9
527.33606	7.0
529.36139	2.3
541.34711	4.7
547.37860	2.4
551.32831	1.6
559.35797	2.1
565.38513	2.7
581.25372	1.4
611.42438	2.2
621.41302	16.2
622.40997	2.2
639.42480	40.8
640.42712	2.8
657.42914	2.8
667.38110	1.6
703.39655	3.4
747.43872	2.9
765.45691	3.1
783.46814	7.4
801.47864	17.9
802.46429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	18.9
57.07073	9.1
61.02893	2.7
67.05138	3.6
67.05492	64.1
69.03416	8.4
69.06690	2.6
69.07059	52.5
71.04971	3.6
71.08618	5.1
73.02884	2.5
79.05029	2.2
79.05482	42.6
81.03401	10.0
81.07041	87.8
83.04976	10.8
83.08600	27.6
85.02875	8.4
85.06519	3.6
85.10180	1.8
91.05463	33.1
93.07028	52.0
95.04951	10.5
95.07999	3.3
95.08586	44.9
97.02869	5.0
97.06509	14.1
97.10149	15.3
98.20707	3.4
99.04410	2.9
99.08057	4.7
105.04536	2.2
105.07021	25.6
106.08047	1.9
107.04944	6.9
107.08581	29.5
109.06519	5.8
109.10134	14.2
111.08060	6.6
111.11688	2.9
115.06622	2.0
117.07011	9.7
119.08559	18.5
121.06503	4.4
121.10136	25.8
123.08057	3.3
123.11658	7.9
125.09624	4.3
127.03925	3.2
129.05525	2.1
129.06985	5.4
131.08542	13.6
133.10095	13.6
134.53265	2.2
135.08017	2.3
135.11676	21.2
137.09592	2.0
137.13226	2.2
143.08528	2.9
145.06398	2.3
145.10121	7.1
147.11673	10.2
149.09593	11.8
149.13255	13.3
151.11079	2.0
157.10110	3.6
159.11688	11.5
161.13199	2.5
163.11151	6.9
163.14722	2.5
173.04453	2.3
173.13150	4.6
177.12769	3.6
183.11703	2.1
195.13799	5.9
217.15829	2.2
219.21060	2.7
227.12863	4.1
229.19441	3.0
237.22154	5.8
239.17909	3.1
255.15833	12.9
257.18945	8.6
267.15906	2.3
269.17438	42.5
275.20026	26.9
293.21155	2.7
309.20770	2.0
311.25751	100.0
331.22385	3.2
349.23682	28.0
367.24585	5.2
413.21680	2.8
419.23450	2.6
491.37177	26.7
505.38779	97.7
506.38672	2.5
529.38837	3.2
545.41071	3.0
585.45123	27.0
600.43860	1.9
603.46045	8.5
629.12659	2.4
822.92944	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	795.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08755	0.3
63.63282	0.3
67.05500	1.0
71.69765	0.4
71.70168	0.5
79.05486	0.7
81.03415	0.6
81.07051	1.0
85.02901	0.4
91.05463	0.8
93.07029	0.4
94.06525	0.5
95.08606	0.3
105.07024	0.5
105.30254	0.3
107.08564	0.4
109.02885	0.3
109.10114	0.5
116.95477	0.3
117.07011	0.6
118.06561	0.5
123.26536	0.3
131.08591	0.4
133.10103	0.4
144.08006	0.5
195.09087	0.7
197.10829	0.4
204.06544	0.7
209.10791	0.8
210.11426	0.8
211.08685	0.5
211.12427	0.5
221.10651	0.9
222.11452	0.7
223.08743	0.7
223.12189	1.7
224.13066	0.6
225.10239	1.5
225.13771	3.4
226.14619	0.9
234.11603	0.3
235.12305	1.0
237.06512	0.5
237.10225	0.4
237.13841	2.2
238.14615	0.7
239.15404	0.6
247.12128	0.3
249.13881	1.1
251.08083	2.3
251.11778	0.5
269.12900	0.5
270.13934	0.4
276.16074	0.4
277.09781	0.4
301.12219	0.4
311.13904	0.4
312.11066	0.4
314.12820	0.5
316.14737	0.5
324.11105	0.4
324.14874	0.5
335.25885	0.4
340.14508	0.5
352.14459	0.5
375.15872	0.5
389.17795	0.9
399.19519	0.7
402.14615	0.8
403.14789	1.7
403.19495	1.1
404.15860	0.8
404.20609	0.4
405.21359	0.7
412.16730	0.6
415.16025	0.5
417.17026	4.7
417.21738	0.5
418.17487	2.3
419.18588	1.1
419.23117	0.5
427.19019	0.5
428.15643	0.4
430.18738	0.6
431.18945	2.2
432.19528	3.0
433.20090	5.0
434.21024	0.7
445.16479	1.4
445.21017	0.5
446.16351	0.5
446.21793	0.7
447.21777	11.3
447.27484	0.6
448.22519	2.1
454.17590	0.4
458.17523	0.6
459.22510	0.8
460.18921	1.3
461.19278	0.8
462.20264	1.0
474.20584	0.5
475.21213	26.5
476.21939	7.0
477.22696	0.8
487.21326	1.1
489.22498	1.5
503.20139	3.2
504.21564	0.5
505.22525	0.6
507.23792	0.8
519.24139	1.2
521.22272	1.1
534.26062	0.9
535.23242	16.0
536.23450	1.5
547.23383	2.9
549.25031	1.6
561.24933	6.7
562.25708	6.3
563.26361	3.3
575.21259	0.4
589.24408	0.7
590.25134	3.1
607.25189	1.4
621.27045	10.5
622.27734	100.0
623.27979	7.5
795.41119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.6
55.05281	1.3
55.05511	15.8
57.03204	0.9
57.03430	8.4
57.07053	3.0
61.02899	2.6
64.63607	0.8
65.03915	1.6
67.05499	60.5
68.05830	1.2
69.07060	12.8
69.39527	5.8
69.39958	3.9
71.04987	1.5
71.08588	0.9
73.02889	1.3
74.09702	1.5
77.03906	0.9
77.40462	0.8
79.05483	33.7
81.07046	58.5
83.04981	1.2
83.08611	6.9
85.02908	2.2
85.06546	2.2
86.25367	1.0
91.03952	1.3
91.05471	22.7
93.07033	42.8
95.04955	2.6
95.08592	45.5
97.06519	2.6
97.10134	3.3
99.08121	1.1
105.07018	17.3
107.07914	1.6
107.08583	21.1
108.08901	1.3
109.06510	1.8
109.10141	18.7
111.08038	1.3
113.09633	1.4
117.06995	6.7
119.08568	13.9
121.10133	17.9
123.08026	0.9
123.11694	5.4
125.09679	1.1
129.06992	1.5
131.08549	11.1
133.10129	11.5
135.08043	1.4
135.11664	14.2
137.13232	2.5
139.11211	1.3
140.64539	0.9
143.08559	1.7
145.10089	9.8
147.11667	8.7
149.13232	8.3
157.10168	1.5
159.11685	8.3
161.13235	8.0
163.14775	4.3
171.11670	1.7
173.13252	7.9
175.14763	3.4
177.12764	1.1
177.16396	2.2
185.13249	1.6
187.14801	3.7
189.16243	1.5
191.14354	1.1
199.14851	1.1
222.04315	0.9
231.21173	1.0
232.33882	0.8
241.19530	3.9
243.21033	3.6
259.20541	6.9
259.48752	1.0
261.19376	1.1
261.22131	19.3
263.23700	2.0
273.22116	0.9
277.21738	1.1
299.23886	1.0
317.24780	3.1
333.24362	5.4
335.25763	100.0
336.26074	5.2
337.27426	9.0
396.64288	0.9
420.54492	1.0
521.43317	1.8
595.47089	13.9
596.47815	1.2
613.48102	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	791.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03381	0.5
59.38629	0.4
66.92366	0.5
69.03364	0.4
70.06536	1.2
71.70708	0.6
81.03353	1.6
85.02855	1.9
86.09648	0.7
91.05480	2.9
97.02859	0.8
101.56361	0.5
109.02835	0.8
119.04949	3.8
121.02882	0.7
136.07530	0.6
147.04396	3.7
153.01735	1.6
153.22044	0.5
155.04904	0.5
156.17390	0.5
171.04352	0.5
175.03877	7.2
181.45326	0.4
183.04314	0.8
197.06023	0.5
201.05495	1.0
207.06490	23.4
208.06746	0.4
211.03897	2.8
215.03268	0.7
219.02859	1.5
221.05891	0.6
224.27493	0.5
225.05464	3.1
229.04875	2.5
239.03493	0.8
239.07127	0.5
243.02824	1.0
243.06624	0.6
245.04437	1.5
253.04933	1.9
257.04401	20.1
258.04956	0.5
260.03110	4.4
261.03857	7.3
263.01810	2.1
265.05042	0.6
267.02896	1.3
267.06409	0.9
271.02655	0.7
271.05969	8.3
273.03888	100.0
274.04437	5.1
277.04980	1.1
281.04398	3.0
283.05878	1.0
285.03918	15.0
285.07275	1.2
286.04138	0.6
287.01962	0.7
287.05496	1.3
295.05975	3.0
297.03839	3.4
298.04724	0.8
299.01889	2.6
299.05408	23.4
300.05838	0.9
301.03333	0.5
303.04944	63.1
304.05197	1.6
305.04437	0.7
311.05396	2.5
313.07053	7.3
323.05472	3.5
327.04926	34.5
328.05249	1.0
339.04941	15.4
341.06580	1.7
351.04938	12.2
351.10757	1.2
357.05978	19.7
358.06085	0.5
369.06012	20.3
369.11584	1.4
370.06488	0.8
377.01816	1.2
387.07037	24.4
388.07324	0.5
395.03076	0.7
405.08090	34.5
406.08820	0.7
407.16879	0.6
423.09253	2.6
641.14551	1.6
671.15637	0.5
695.15332	0.6
709.01447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.0
55.05504	18.7
57.03422	8.1
57.07064	1.9
59.04994	1.6
59.78077	1.3
61.02906	2.2
65.03918	4.8
67.05494	70.0
68.05818	1.6
69.03421	7.7
69.07055	26.1
69.96585	8.2
71.04980	27.3
73.02879	2.1
79.05479	39.2
81.03413	9.6
81.07043	100.0
83.04968	9.5
83.08601	12.5
85.02885	3.5
85.06529	8.6
87.04440	1.5
91.05462	44.7
92.05768	1.2
93.07028	45.4
93.27892	1.1
94.07323	1.9
95.04945	12.0
95.08589	21.6
97.02843	3.1
97.06514	13.5
97.10147	7.4
99.04477	1.6
99.08073	3.5
102.82657	1.2
105.07011	33.7
107.04910	7.1
107.08570	28.5
108.08925	1.8
109.02837	1.5
109.06503	9.2
109.10138	14.4
111.04442	1.9
111.08052	5.4
117.07024	11.6
118.06492	1.6
119.08563	21.7
121.06525	3.4
121.10131	14.0
123.08051	3.6
123.11691	16.6
125.09613	4.7
127.03894	2.9
128.06195	1.7
129.07011	4.3
131.08537	14.9
132.08847	1.2
133.06456	1.9
133.10100	27.5
135.08035	4.4
135.11662	11.6
137.09605	3.8
139.11200	1.5
141.06998	1.2
143.08536	4.2
145.06439	1.2
145.10114	10.7
146.10533	1.3
147.07990	1.3
147.11658	8.3
149.09561	7.9
149.13231	12.0
151.11145	8.6
155.08578	1.5
155.17665	1.2
157.10123	4.1
159.08040	1.2
159.11650	12.8
161.09602	1.4
161.13223	3.9
162.09081	1.3
163.11139	7.2
165.12758	1.7
169.10153	2.7
169.12201	1.3
171.11644	4.2
173.04396	2.1
173.13235	4.4
175.11186	2.5
177.12724	5.3
183.11749	2.5
183.13766	3.5
185.13271	2.2
187.13254	4.1
187.14783	1.7
189.11215	2.8
193.12254	1.3
195.13753	5.8
199.14963	1.4
201.12834	1.4
201.14752	1.7
217.21854	1.1
225.14839	1.5
227.12659	8.1
230.15494	1.8
230.52783	1.4
243.15779	5.6
247.20583	1.6
257.18991	4.0
259.20709	2.0
265.14404	1.5
267.15833	1.8
269.17377	12.3
275.20026	24.9
283.15488	1.8
285.17026	1.9
291.19244	1.8
292.19052	4.9
293.21216	2.6
301.20010	20.8
331.22534	2.5
333.24225	2.2
349.23691	16.2
367.24588	3.1
400.28265	1.4
423.27435	3.0
427.26563	1.6
437.28973	15.7
449.28970	11.2
451.30499	5.4
463.30527	11.0
481.31500	5.2
495.26242	1.9
495.33099	27.7
499.34131	3.9
517.35193	42.8
518.36011	1.6
525.35419	1.7
531.36603	5.8
535.36365	2.2
543.36664	22.7
549.37390	1.8
561.37775	10.1
562.36981	1.6
575.39490	16.2
593.31842	1.8
593.40778	6.9
600.83221	1.3
607.34912	1.9
639.39508	1.4
729.94836	1.4
790.49792	8.4
791.39899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.9
55.05505	31.6
57.03432	13.7
57.07060	1.6
59.05015	1.8
61.02920	4.8
62.19767	1.4
65.03934	4.3
67.05495	78.2
69.03412	6.7
69.07051	24.6
69.59684	15.0
71.04984	32.4
77.03941	1.7
79.05485	53.2
81.03416	16.6
81.07045	100.0
83.04966	8.4
83.08611	21.4
85.02881	5.1
85.06518	9.0
91.05466	64.1
92.05806	2.3
93.07030	45.5
95.04954	17.3
95.08600	33.4
97.02868	5.1
97.06509	10.4
97.10152	10.4
99.04439	2.6
99.08076	3.8
103.05467	1.9
105.06329	3.4
105.07013	48.8
107.04315	1.4
107.04911	8.2
107.08578	39.0
109.06493	15.9
109.10135	19.1
111.04427	3.2
111.08060	6.0
113.09567	1.6
115.05445	2.5
117.06989	20.7
119.08567	30.5
121.06486	5.6
121.10120	15.9
123.08031	5.0
123.11683	9.4
125.05911	1.6
125.09638	9.1
127.03893	2.0
128.06221	2.1
129.06975	11.2
131.08548	23.8
131.09459	2.2
133.10110	35.2
135.08011	4.8
135.11676	9.9
137.09552	2.9
141.06944	1.9
143.08521	9.4
145.10115	18.3
147.08028	2.5
147.11684	18.4
149.09612	10.9
149.13248	8.5
151.11136	7.5
155.08560	4.9
157.10144	10.5
159.11668	17.0
161.13252	5.2
163.11203	9.3
169.10121	4.3
171.11734	10.4
173.13258	7.1
175.11229	2.8
175.14819	2.0
177.12735	4.6
179.14404	1.6
183.11700	4.5
183.13774	3.3
185.13239	6.6
187.13246	3.0
189.11212	4.4
189.12747	2.7
191.14330	2.1
193.12184	3.1
195.11632	2.7
195.13760	4.3
197.13200	3.3
199.14862	2.4
201.12775	1.9
203.14388	1.8
205.15932	1.7
209.13396	1.9
217.15868	2.7
219.17354	2.1
225.14685	2.9
227.12766	9.5
229.14276	2.2
239.17935	3.7
243.15936	4.5
257.18985	6.6
259.20642	3.8
267.15939	4.2
269.17331	7.7
275.20062	23.5
293.21075	5.7
301.19983	21.0
331.22467	2.2
349.23672	15.2
367.24899	3.0
427.26404	1.8
433.31085	4.0
437.29028	5.5
445.29288	1.6
451.31549	3.6
464.86850	1.9
495.32990	4.7
499.33914	6.8
503.33392	1.9
517.35211	33.2
518.35327	2.0
525.35901	13.4
531.36615	4.4
535.35889	7.9
543.29102	3.1
543.36786	42.9
544.37201	2.4
549.37836	2.3
557.37964	2.8
561.37750	7.4
575.39490	22.0
593.40723	7.8
706.39349	1.8
790.39075	3.0
791.39856	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	789.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.3
55.05503	40.7
57.03421	13.5
57.07054	7.2
61.02924	12.7
61.62704	1.8
65.03916	5.3
67.05494	100.0
69.03417	17.3
69.07064	32.5
71.01327	3.0
71.04977	9.7
71.08611	8.1
73.02907	7.7
77.03916	2.5
79.05477	68.7
81.03394	17.4
81.07043	90.3
83.04946	10.9
83.08607	25.3
85.02901	16.5
85.06528	5.2
91.03933	6.9
91.04921	4.0
91.05464	60.9
93.07031	74.3
94.07364	2.7
95.04935	14.5
95.08011	3.2
95.08594	57.0
97.02876	17.9
97.06519	18.5
97.10156	12.4
99.04395	3.7
99.08071	8.8
103.05423	3.3
105.07011	62.3
107.04942	12.7
107.08569	40.4
109.02859	6.5
109.06514	10.7
109.10134	32.2
111.08072	7.2
115.05452	4.0
117.06996	25.7
119.08562	41.9
121.06473	2.9
121.10133	26.4
123.08019	6.5
123.11657	12.9
125.09621	12.2
127.03869	6.7
129.06970	14.9
130.07776	2.4
131.08539	36.7
133.06528	5.8
133.10107	28.0
135.08034	6.9
135.11658	12.3
137.09598	4.0
141.06941	4.5
142.07735	3.6
143.08534	21.8
145.06477	2.7
145.10094	31.0
147.08040	2.5
147.11687	22.5
149.09601	15.9
149.13220	9.2
151.11182	6.1
154.07837	2.4
155.08521	8.0
157.10121	17.4
159.08002	2.5
159.11665	19.5
161.13231	9.8
163.11177	11.1
163.14793	2.6
165.12703	4.4
167.08510	3.7
169.10127	11.4
171.08073	2.5
171.11633	15.8
173.09660	2.4
173.11839	3.6
173.13242	12.3
174.34814	2.2
175.14824	6.9
177.12717	2.6
181.10114	4.4
183.11642	8.7
185.13214	9.6
187.11247	4.1
187.14801	6.6
189.11192	7.0
195.11636	5.6
197.13232	6.8
199.14780	7.9
201.12744	2.7
201.16376	4.5
209.13242	4.5
211.14876	3.3
215.17957	2.6
217.50639	2.3
223.14848	3.2
227.12766	9.0
229.14345	4.9
229.55417	2.2
239.17876	3.6
239.52016	2.1
243.21234	3.1
247.20413	2.8
257.19016	6.6
259.20612	9.7
261.22067	6.0
269.17349	2.7
269.22577	2.6
273.18527	2.5
275.20065	37.2
277.21588	9.5
289.18503	2.2
291.19357	2.9
293.21121	5.2
317.24326	2.3
333.24170	4.2
335.25769	32.9
336.26028	4.6
349.23569	19.7
351.25284	4.3
367.24911	2.3
367.29956	2.5
405.26935	3.3
513.34760	10.1
515.37152	8.9
517.39832	3.9
527.37109	3.1
529.38385	4.6
535.41461	4.1
553.41882	2.7
609.45129	51.6
627.46033	74.1
628.46826	4.1
765.19861	2.8
771.49762	3.4
789.51471	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	789.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.6
62.18820	1.5
67.05496	2.6
68.04944	1.2
69.03407	3.0
70.06562	3.3
70.75965	5.0
79.05466	6.2
79.37627	1.3
81.03402	4.1
81.07040	3.3
84.08081	1.5
85.02905	3.1
91.05451	5.2
93.05766	2.6
93.07021	7.7
94.06560	12.6
94.41511	1.3
95.04956	2.5
95.07325	4.1
96.08109	9.9
97.02860	2.6
98.20712	1.6
103.05465	3.8
106.06499	4.6
107.07329	4.1
108.08096	32.1
109.02814	1.5
110.09654	17.3
114.09787	1.9
120.04469	2.5
120.08099	22.0
122.06013	23.3
122.09674	12.3
123.04419	1.8
124.07574	5.8
127.03895	1.7
132.08046	3.8
134.06003	4.1
134.09618	1.9
136.07556	47.9
138.05521	2.9
138.09106	28.7
144.04375	1.6
144.08115	2.1
146.05988	9.0
148.07549	24.2
150.09125	12.0
151.03809	1.8
152.07056	18.4
160.03911	3.6
160.07555	6.9
162.05475	3.7
162.09122	4.1
164.07037	7.9
166.08609	27.8
167.07053	7.3
172.03902	14.9
173.45273	1.7
174.05446	4.4
174.06830	1.7
174.09140	2.0
176.07011	4.3
178.08618	1.9
180.10162	2.2
181.04910	2.3
190.04897	10.0
194.08214	1.8
197.10684	3.9
198.11479	3.4
199.08704	1.8
199.12277	2.0
204.06491	13.0
210.11459	3.2
211.08595	2.6
211.12273	12.8
212.13002	2.7
213.10268	2.6
221.10774	2.8
222.11322	2.5
223.08794	2.2
223.12231	8.4
224.09366	2.1
224.12891	2.5
225.10187	15.0
225.13861	5.6
226.10976	5.8
227.11740	14.7
229.13358	2.8
232.09695	2.0
233.10684	1.6
235.08560	3.7
235.12238	5.2
236.09306	3.7
237.10191	18.3
238.10938	13.1
239.11752	35.0
240.12505	11.1
241.09601	2.0
241.13257	5.1
248.09296	3.1
249.10158	12.9
250.11028	8.8
251.07993	2.7
251.08951	2.1
251.11757	40.9
252.08772	3.8
252.12498	13.3
253.09679	8.0
253.13293	15.2
254.10495	1.8
254.13783	1.9
255.11356	7.4
261.10181	2.3
262.10947	5.2
263.08636	2.1
263.11789	27.7
264.08899	5.4
264.12482	5.6
265.09659	14.5
265.13321	19.9
266.10428	11.0
266.13965	7.2
267.11258	32.7
267.14310	2.3
268.11932	4.8
269.12866	6.7
271.10629	3.3
271.14301	1.7
273.12210	2.1
275.11719	2.7
277.09616	7.5
277.13293	4.5
278.10410	9.3
279.11227	55.8
280.11972	14.6
281.09897	2.3
281.12802	16.3
283.10706	2.9
284.11469	2.5
285.03839	4.6
285.12283	23.3
287.05533	2.0
287.14066	2.5
291.11270	19.6
292.11871	5.6
293.09430	2.1
293.12726	14.9
294.13522	2.7
295.10730	6.1
296.11432	3.6
297.04129	1.7
297.12308	28.9
298.12936	6.6
299.13803	12.1
305.09103	2.1
305.12955	2.5
307.10693	6.3
308.11215	2.2
309.12323	12.5
310.12881	7.1
311.05585	1.7
311.10400	2.3
311.13818	39.8
312.14398	3.4
313.15686	2.2
316.14505	2.3
319.10666	13.6
321.12219	15.8
322.12939	4.6
323.10193	8.2
323.13800	6.1
325.11960	7.2
327.13422	8.2
328.14255	2.1
329.15146	2.0
330.16000	4.3
332.17618	2.1
337.11710	8.4
339.13293	12.6
340.14368	1.6
341.15015	3.7
342.15939	2.1
344.17328	2.7
351.13135	4.4
353.14954	4.4
354.15744	3.2
355.12671	4.6
355.16672	3.6
356.17575	2.5
357.14420	5.1
358.15228	3.7
358.19193	3.4
360.16953	2.2
361.15112	2.4
363.13260	3.3
367.16806	1.8
369.14426	6.4
370.15256	4.3
371.16077	3.3
372.16953	4.4
379.12820	5.0
381.14285	4.2
382.15274	2.6
383.15631	3.9
384.17050	3.7
386.14294	2.3
386.18640	4.8
387.19489	2.2
388.16382	3.1
393.14172	4.0
395.16241	3.5
396.16702	2.2
397.13550	3.4
399.15497	6.0
400.16370	9.7
402.18021	3.1
403.18781	2.0
404.19571	4.2
407.16110	2.5
411.15390	13.6
412.16467	5.9
414.17929	5.7
417.14429	2.1
418.21387	3.5
423.15424	4.1
424.16367	3.0
425.17221	2.5
429.16403	14.5
430.17587	10.0
431.17966	2.9
432.18817	4.0
435.15472	4.1
439.14783	7.1
441.16541	12.6
442.17462	4.8
443.17987	2.5
444.19095	2.7
446.20758	5.7
448.18161	3.1
450.20059	4.3
451.14841	3.4
453.16360	11.9
454.16962	2.5
459.17526	6.8
460.18307	3.0
463.14761	3.8
465.16208	2.6
467.14236	3.7
469.15793	6.0
471.17557	20.8
472.18253	5.3
481.15875	20.4
482.16446	2.4
483.17184	2.8
490.19247	2.2
499.16867	2.9
506.22769	2.5
530.22821	2.9
534.22546	2.5
556.20758	5.8
557.21155	2.1
558.22058	2.3
562.21869	2.5
566.24744	4.6
568.20087	1.9
570.21704	2.7
574.21814	8.2
576.22864	4.2
577.24371	2.7
578.24384	4.4
580.22400	3.7
586.21570	2.9
588.23389	3.2
590.24878	4.3
592.22656	9.0
593.23627	55.3
594.24347	38.7
595.24463	4.3
604.22351	5.5
606.14801	2.6
606.24335	51.5
607.24255	4.6
616.22766	6.3
618.24493	15.2
620.22150	30.0
621.23145	19.6
622.23645	14.3
634.23846	99.4
635.24371	22.2
636.25305	11.4
637.25677	2.1
652.24518	7.1
666.26477	53.6
667.27209	16.9
675.26453	1.8
693.29114	1.9
703.27344	3.4
711.30011	4.8
721.28326	6.3
729.31006	6.1
739.29694	23.0
757.30652	100.0
758.31256	11.4
789.33472	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	788.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.2
55.05502	29.6
57.03431	11.8
57.07050	2.3
59.04980	3.8
59.17645	1.5
61.02906	2.5
65.03927	2.9
67.05494	55.3
69.03407	5.1
69.07059	24.0
71.01337	2.2
71.04974	5.6
73.02907	2.2
75.75510	1.1
77.31634	1.4
79.05019	2.4
79.05481	47.7
80.05811	1.5
81.03408	13.4
81.07043	99.5
82.07379	2.1
83.04960	11.4
83.08610	24.1
85.02885	5.7
85.06528	4.7
91.05467	51.9
91.54541	1.1
93.07027	44.9
95.01303	1.9
95.04961	21.2
95.08593	30.6
97.02854	6.5
97.06519	12.1
97.10150	5.4
99.00801	16.0
99.08080	2.6
103.05428	3.0
105.07014	46.4
107.04939	17.8
107.08582	27.9
108.08920	2.1
109.02867	9.5
109.06496	29.5
109.10136	16.1
111.04404	3.3
111.08083	6.1
113.05997	2.6
115.03889	3.0
117.06991	15.4
119.08560	37.5
121.06487	12.5
121.10129	19.1
122.10495	1.5
122.41069	1.4
123.04404	2.5
123.08052	10.5
123.11711	6.9
125.09593	3.3
127.03899	5.8
128.06172	4.0
129.06992	5.7
129.21518	1.3
130.07796	1.8
131.08553	15.5
133.06488	3.7
133.10110	54.0
135.08015	7.4
135.11697	10.8
137.06015	1.5
137.09653	6.7
137.10495	1.4
139.07504	3.2
139.11223	1.4
141.07005	1.6
143.08507	8.0
145.06441	3.1
145.10110	13.2
147.08003	4.4
147.11684	20.8
149.09615	9.6
149.13217	6.8
151.11160	16.3
153.07025	1.8
155.08595	2.4
157.10078	5.7
159.08044	2.3
159.11635	9.7
161.09587	21.3
161.10851	2.1
161.13248	2.5
163.11157	10.4
163.14804	1.8
165.09073	1.6
165.12755	4.1
165.54204	1.2
169.10089	1.4
171.08070	4.0
171.11676	5.0
173.13222	2.9
175.11205	3.7
175.14807	1.7
177.12677	2.6
179.10619	8.5
187.11089	1.7
187.14775	1.6
189.09050	8.4
191.10551	1.5
193.12199	3.5
197.11708	2.3
197.13351	1.9
207.10129	3.8
207.13786	1.5
209.11703	3.4
225.11154	9.5
227.12778	4.4
229.19505	2.9
239.17903	2.8
243.12282	4.0
247.20569	3.5
257.18933	5.0
265.14203	2.5
267.15860	4.1
269.17432	2.2
273.18405	3.5
275.20029	67.3
276.20358	3.3
281.13849	5.3
283.15378	4.1
291.19531	4.4
293.20993	16.7
299.14856	100.0
301.16476	2.7
317.16028	1.5
349.23691	33.6
365.22980	2.8
367.24780	39.5
449.58136	1.3
461.29233	2.7
541.34717	1.5
555.32983	2.7
559.36639	1.6
573.34119	70.3
574.34100	3.0
591.35242	74.9
592.36316	2.3
736.53302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.3
55.05505	36.5
57.03426	16.9
57.07060	2.2
59.04994	3.8
61.02913	5.4
64.92145	1.4
65.03928	2.2
67.05496	63.6
69.03417	9.6
69.07056	23.2
69.55402	12.3
69.99696	1.2
71.01334	3.0
71.04989	7.6
73.02907	3.5
79.05017	2.7
79.05482	54.1
81.03404	18.3
81.07045	78.0
82.07375	1.4
83.04971	15.3
83.08604	21.7
85.02890	5.3
85.06543	6.3
85.06975	1.3
91.05464	61.7
93.07031	57.9
95.04954	20.7
95.08595	26.7
97.02879	10.7
97.06519	15.1
97.10155	7.0
99.00811	17.8
99.04444	2.7
99.08080	4.5
101.08398	1.4
103.05445	3.0
105.06329	3.1
105.07018	49.9
107.04947	17.2
107.08575	37.5
109.02872	15.7
109.06497	11.4
109.10140	16.2
111.04438	3.6
111.08057	9.6
113.05968	1.6
113.09579	1.8
115.03913	3.8
115.05426	3.3
117.06986	15.4
119.08561	25.4
121.06495	10.5
121.10120	13.1
123.04395	2.3
123.08039	7.1
123.11687	5.7
125.09633	5.3
127.03901	6.7
128.06236	3.5
129.06998	5.9
130.07747	2.2
131.04854	2.0
131.08540	17.2
133.06503	3.3
133.10106	62.0
135.08078	6.1
135.11667	15.4
137.09612	4.8
137.38904	1.3
139.07539	3.5
141.06969	1.7
142.07768	1.5
143.08575	8.0
145.06459	2.4
145.10104	14.0
146.38086	1.3
147.08063	2.6
147.11670	5.7
149.09596	9.3
149.13223	9.8
151.11160	14.6
157.10118	4.3
159.08058	2.3
159.11671	11.2
161.09595	20.9
161.13249	3.2
163.11145	9.9
165.09058	1.6
171.08031	4.3
171.11690	3.3
173.04488	1.9
173.09605	2.7
173.13194	3.1
177.12752	3.9
179.10672	10.8
179.14310	2.4
181.12222	1.6
185.13167	2.2
189.09097	9.8
189.10977	2.6
193.12343	1.6
195.13834	4.0
197.11696	3.7
207.10210	4.3
209.11662	2.7
213.14766	1.7
223.13254	1.6
225.11166	14.8
227.12767	6.8
229.19443	1.8
233.15393	2.3
239.18033	2.0
243.12309	3.1
253.14349	3.0
255.15904	9.8
257.18988	4.1
265.14349	3.9
267.15930	5.6
269.17432	28.9
273.03839	2.3
273.18475	3.5
275.20016	26.0
281.13745	7.3
283.15335	5.2
289.18079	1.8
291.19434	8.7
293.21030	3.6
299.14856	81.6
301.16467	2.9
331.22867	1.9
349.23721	19.9
365.23059	3.3
367.24789	6.6
447.27725	1.5
475.26553	1.5
477.28101	2.7
479.26263	21.5
493.27887	100.0
494.28125	2.3
541.35150	2.9
555.32977	3.1
559.36292	2.2
573.34149	26.5
574.34344	2.3
591.35114	15.7
724.18170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.6
55.05502	31.2
57.03204	1.1
57.03431	12.9
57.07054	1.4
59.04984	3.7
61.02903	3.3
61.43684	0.9
64.06961	0.8
65.03908	3.2
66.89529	0.9
67.05495	50.7
68.05810	1.3
69.03416	7.6
69.06692	1.2
69.07058	22.4
69.39780	9.9
70.06593	0.8
71.01328	3.2
71.04980	6.2
73.02902	2.2
77.03907	1.1
79.05016	1.8
79.05482	46.7
81.03405	18.0
81.07043	63.0
83.04969	14.2
83.08607	22.0
85.02892	7.0
85.06525	3.6
91.03951	1.5
91.05466	51.9
93.07028	53.6
95.04954	16.7
95.08590	24.3
97.02884	10.2
97.06514	13.6
97.10152	11.7
99.00803	18.0
99.03756	0.8
99.04430	2.4
99.08089	1.5
103.05456	2.1
105.04437	1.7
105.07012	42.7
105.07718	2.0
106.07315	1.3
107.04938	13.6
107.08572	38.3
109.02860	11.3
109.06499	9.5
109.10142	15.1
111.04446	4.5
111.08028	6.5
115.03909	3.1
115.05403	2.1
117.07003	15.1
119.04909	2.4
119.08560	28.8
120.08877	0.9
121.06502	11.6
121.10124	11.6
123.04353	2.5
123.08012	4.3
123.11685	6.0
125.09601	10.6
127.03879	5.6
128.06207	3.3
129.05472	1.5
129.06984	6.3
131.08540	16.5
133.06432	3.3
133.10109	54.7
134.10471	1.0
135.08041	5.8
135.11688	11.1
137.05931	2.0
137.09587	4.1
139.07509	4.0
141.05473	0.9
141.06949	1.6
143.08536	9.1
143.10509	0.9
145.06442	3.0
145.10094	15.5
147.04427	1.1
147.08052	4.7
147.11655	10.4
149.09586	13.3
149.13237	7.2
151.11154	13.6
153.09085	1.2
155.08536	2.7
157.10086	5.0
159.07991	1.2
159.11667	10.2
161.09584	18.5
161.13222	4.0
163.11147	11.8
165.09009	1.4
165.12732	1.9
169.10028	2.2
171.08014	3.5
171.10237	1.3
171.11659	2.7
173.04462	2.3
173.09566	1.0
173.13225	5.3
175.11168	1.5
177.12682	2.9
179.10664	10.4
179.14250	2.5
181.12286	1.5
183.11655	2.2
185.13255	1.6
187.11203	2.0
187.14786	1.1
189.09062	10.7
189.11180	6.9
193.12196	2.4
195.13754	5.3
197.11644	3.1
197.13275	1.2
201.12686	1.2
207.10098	2.8
209.11534	1.2
211.13130	1.2
223.13138	1.1
225.11185	17.6
227.12750	24.9
227.15042	1.2
229.14249	1.5
229.19432	2.2
239.17908	3.3
243.12216	5.2
247.20522	2.2
249.14888	1.0
253.14340	1.2
255.15849	8.9
257.04358	1.8
257.18964	12.7
267.15918	6.3
269.17459	16.6
273.03888	7.3
273.18442	2.0
275.20013	44.0
276.20270	1.1
281.13876	8.3
283.15402	1.9
285.03915	4.4
289.18015	0.8
291.19409	4.8
293.18124	0.9
293.20935	5.6
299.14847	100.0
300.15189	1.9
301.16357	1.9
303.04959	1.3
323.05557	1.0
327.04974	1.5
331.22644	3.4
339.04950	1.8
349.23679	39.7
350.24011	1.4
351.05017	1.1
365.23196	1.3
367.24826	4.8
389.17844	1.3
395.20551	3.4
413.21579	2.3
451.22537	1.4
453.24661	2.5
469.24445	5.0
475.26746	1.8
477.28049	2.9
479.20151	1.4
479.26416	16.6
493.27890	67.6
494.28223	3.6
506.85052	1.0
533.30835	1.2
541.35278	1.3
555.32941	5.1
559.36066	3.3
573.34100	52.6
574.34656	2.2
591.35101	13.9
613.28491	1.5
637.31451	2.1
639.27936	1.4
705.28107	1.3
724.89056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	26.8
55.05508	31.4
57.03429	14.6
57.07058	5.6
59.19155	2.0
61.02911	8.2
65.03931	3.9
67.05139	4.4
67.05494	82.4
67.25838	1.9
68.05833	4.3
69.03423	9.8
69.06687	3.5
69.07059	50.4
69.39120	20.3
71.04971	6.0
71.08627	1.8
73.02909	3.4
78.04674	1.9
79.05479	68.9
80.05829	2.5
81.03399	14.4
81.07044	100.0
82.07380	4.9
83.04971	10.6
83.08601	14.1
85.02890	9.3
85.06525	4.3
91.03948	2.7
91.05464	74.6
93.07030	63.9
94.07376	2.5
95.01322	5.6
95.04951	17.8
95.08591	59.3
96.08904	3.0
97.02882	9.7
97.06515	44.9
97.10139	6.3
99.04452	3.7
99.08067	6.7
105.04499	3.3
105.07014	92.9
107.04937	20.5
107.08577	33.4
109.02890	2.0
109.06516	15.5
109.10128	31.3
110.10477	3.6
111.04440	2.1
111.08047	3.8
113.09641	2.8
117.06990	27.7
119.08558	54.3
121.06483	6.7
121.10136	21.6
123.08077	10.2
123.11675	5.7
125.09614	5.8
127.03905	2.3
128.06183	3.1
129.06979	14.1
131.08551	40.0
131.50415	1.8
133.06477	3.3
133.10110	47.2
135.08058	8.9
135.11667	18.7
137.09625	3.0
139.07617	2.2
139.11195	2.1
141.06927	4.3
142.07762	3.8
143.08551	13.3
145.06421	5.8
145.10091	29.6
147.08046	2.6
147.11665	27.9
149.09555	11.4
149.13206	9.2
151.11140	3.5
155.08543	11.2
157.10100	16.4
159.08064	3.1
159.11667	27.8
161.09590	3.9
161.13232	11.5
163.11162	7.4
163.14810	4.0
165.12695	2.6
167.08543	5.1
169.10117	7.4
171.11647	16.8
173.11798	3.9
173.13261	13.5
175.11186	3.6
175.14807	6.5
177.12689	5.8
179.14337	9.8
181.10097	4.7
183.11656	8.8
183.21832	2.0
185.13289	11.2
187.11150	6.0
187.14867	7.5
189.12729	3.0
195.11678	4.2
197.13237	5.7
199.14835	5.3
209.13145	4.0
210.18678	1.8
211.14809	4.1
213.12769	3.6
213.16251	3.0
219.17400	4.6
221.13258	3.0
223.14819	2.1
225.16293	3.2
229.14322	10.1
230.14735	4.7
239.17943	4.1
241.19484	14.3
243.21104	2.3
247.20628	4.8
257.16479	2.3
257.18704	9.3
259.20566	19.2
261.22104	3.4
273.18454	9.6
275.20038	61.1
275.23038	3.8
277.21655	2.1
279.16006	2.8
293.21140	3.6
295.35873	2.1
296.58926	1.9
297.16617	2.0
298.17383	2.6
315.23288	9.2
333.24188	29.1
335.25800	16.6
336.26193	9.0
341.28659	2.9
349.23669	33.8
406.45474	2.3
435.32159	3.0
437.34039	3.3
489.35977	2.5
490.35880	6.5
511.37619	4.7
513.35620	3.4
529.38885	4.0
533.39532	6.2
551.40393	3.5
558.38635	5.2
601.69666	2.0
607.43463	48.1
608.43671	4.7
625.44531	42.0
787.48798	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	787.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	21.5
55.05503	36.5
57.03431	16.8
57.07058	5.7
61.02920	11.5
65.03918	7.6
65.84619	1.8
67.05493	86.7
68.30557	2.0
69.03422	20.5
69.07053	52.2
71.01345	2.6
71.04982	14.2
71.15047	3.8
73.02890	4.4
79.05478	70.8
80.49114	2.2
81.02939	3.2
81.03407	52.9
81.07038	100.0
83.04971	18.2
83.08601	17.6
85.02880	14.4
85.06523	6.7
88.89722	2.1
91.03937	4.0
91.05464	88.1
93.07028	75.7
95.01324	3.4
95.04946	21.3
95.08585	62.8
97.02869	22.6
97.06511	30.4
97.10145	9.5
99.04441	6.3
99.08064	4.1
105.04512	2.3
105.07008	80.0
107.04930	13.5
107.08575	44.5
109.02878	10.1
109.06484	14.6
109.10133	26.5
111.04448	5.5
111.08064	9.1
115.05428	4.3
117.06985	31.4
119.08556	63.2
120.08844	2.7
121.06461	5.2
121.10125	34.6
123.04408	3.3
123.08036	9.6
123.11678	8.7
125.09582	5.2
127.03864	10.7
128.06175	5.0
129.05472	3.4
129.06985	17.7
131.08537	44.8
133.06461	5.6
133.10106	52.4
135.08063	9.9
135.11668	22.0
137.09595	8.1
141.07014	9.8
142.07758	4.5
143.08543	24.3
144.09361	2.0
145.06471	8.0
145.10088	37.5
147.08009	5.1
147.10565	3.6
147.11659	32.9
149.09592	8.3
149.13246	10.0
151.11198	6.8
153.06918	2.6
155.08560	13.4
156.09213	2.1
157.10097	24.4
159.08017	4.4
159.11668	29.6
161.09590	5.8
161.13245	15.5
162.57915	2.3
163.11153	5.9
163.14775	2.8
165.09138	3.4
165.12698	4.8
167.08557	5.7
167.19331	2.1
169.10089	16.7
171.08034	2.6
171.11623	24.8
173.04445	15.3
173.09566	3.8
173.13223	17.0
175.11186	3.2
175.14786	5.2
177.12724	4.7
179.08456	2.8
179.14354	4.6
181.10106	9.7
183.11673	15.3
185.13232	12.1
186.09453	2.3
187.11197	4.7
187.14754	7.8
189.11221	2.5
189.12726	4.3
193.10123	3.7
195.11646	9.2
197.13251	14.4
199.11276	2.6
199.14856	7.1
201.12758	3.4
205.09959	2.1
209.09537	2.1
209.13277	7.7
211.11101	3.5
211.14844	7.7
213.12837	2.6
213.16376	5.2
215.14133	2.6
221.13345	3.7
223.14832	3.7
225.16370	4.2
227.17923	3.7
235.14856	2.3
237.16373	3.7
239.17862	2.7
241.19531	9.6
243.21133	2.6
245.19095	3.2
249.16434	2.8
253.14278	4.3
255.17349	3.1
257.18982	7.9
259.20471	17.0
261.22168	5.4
269.17480	3.5
271.20697	3.0
273.18362	6.8
275.20007	40.8
277.21292	3.3
289.21494	3.3
291.19550	5.7
301.21683	3.2
303.23401	2.3
314.49179	2.3
315.23138	5.4
323.23535	3.1
327.23160	2.8
331.22998	3.0
333.24295	19.2
335.25830	8.9
337.87579	2.1
339.23233	3.7
347.22217	2.2
349.23865	17.2
365.23273	2.9
367.22192	2.9
391.29718	2.7
403.24359	3.4
435.32425	4.4
500.74026	2.1
505.75906	2.7
513.35553	8.3
515.37988	6.5
525.35461	2.6
527.37311	19.0
529.38312	2.6
533.40100	4.3
543.36688	4.1
545.37982	2.9
551.40472	2.9
597.44916	2.7
607.43555	51.3
625.44476	55.7
671.41229	5.4
689.42169	11.6
751.47504	3.8
769.48486	6.6
787.49347	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	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.2
55.05504	30.9
56.05824	1.1
57.03429	11.2
57.07064	2.3
61.02910	5.1
61.82964	0.9
65.03929	5.0
67.05493	66.2
68.05755	1.2
69.03413	12.8
69.07057	29.3
69.36595	8.5
69.37019	3.6
71.01325	2.0
71.04965	6.0
71.08615	1.7
73.02879	3.6
73.06510	1.2
77.03913	1.3
79.05480	60.1
80.05799	1.1
80.06248	1.0
81.03407	23.3
81.07042	100.0
82.07369	1.8
83.04965	10.6
83.08156	1.6
83.08604	15.3
85.02888	14.6
85.06522	3.0
87.04430	1.9
91.03925	2.3
91.05465	66.3
93.07029	53.6
94.87966	1.0
95.01272	1.1
95.04951	17.9
95.08591	43.9
97.02418	0.9
97.02885	9.9
97.06514	20.4
97.10146	5.8
99.04427	3.3
99.08078	2.1
103.03944	1.7
103.05425	3.5
105.04499	2.3
105.07014	62.3
107.04944	15.8
107.08575	30.1
109.02851	13.2
109.06496	18.2
109.10136	17.4
111.04414	2.8
111.08058	7.7
113.09595	1.2
115.03875	1.9
115.05480	6.0
117.06998	26.5
119.04931	1.8
119.08560	46.0
120.08871	1.7
121.06482	6.7
121.10124	23.1
123.04408	2.9
123.08044	8.1
123.11663	8.5
125.09596	3.9
127.03905	6.3
127.07519	1.3
128.06189	6.3
129.05470	1.9
129.06984	19.0
130.07782	2.2
131.04871	1.1
131.08540	33.8
133.06493	5.1
133.10103	31.4
134.10469	1.4
135.08017	8.9
135.11661	12.6
137.05917	2.0
137.09605	4.6
139.11162	2.0
141.05339	1.1
141.06963	8.1
142.07758	4.4
143.08537	17.1
144.09230	1.4
145.04892	2.0
145.06429	5.5
145.10098	28.8
147.08009	6.0
147.11655	31.6
149.09598	9.4
149.13231	8.8
151.07486	1.9
151.11134	3.1
153.07028	2.3
153.09024	1.8
154.07739	1.4
155.08522	10.6
156.09288	1.3
157.06444	2.9
157.10095	20.6
159.08041	4.0
159.11671	21.5
161.05930	1.5
161.09605	6.4
161.13231	10.9
163.11166	9.0
163.14813	2.9
165.06978	2.5
165.09059	1.7
165.12740	4.8
166.07787	1.4
167.08536	6.2
168.09262	2.1
169.06497	1.4
169.10120	13.2
171.08017	3.0
171.11639	12.8
172.08833	1.1
173.09618	4.6
173.13231	12.5
175.07530	1.3
175.11166	4.7
175.14792	4.4
177.12671	3.3
179.08495	2.4
179.14308	3.0
180.09378	2.0
181.10062	5.7
183.08066	2.3
183.11688	10.3
185.09605	3.4
185.13235	9.9
187.11131	5.6
187.14781	5.6
189.12683	2.1
189.16339	1.8
191.08609	1.7
191.10513	1.6
193.10081	2.8
195.07971	2.0
195.11650	7.4
197.09657	2.3
197.13271	8.6
199.11156	2.7
199.14870	6.2
201.02498	1.1
201.12663	3.0
201.16357	3.2
203.17989	1.4
205.12065	1.6
207.11739	2.3
207.13666	1.2
209.09740	1.7
209.13239	4.7
211.14774	4.6
213.12662	2.7
213.16386	2.0
215.14238	2.1
215.17809	1.6
217.15730	1.1
221.13271	2.2
223.14810	2.9
225.12767	1.2
225.16296	2.1
229.19429	2.4
233.13295	1.3
235.14810	1.9
237.12766	1.3
237.16315	2.2
239.14270	1.6
239.17874	4.0
241.19547	5.9
247.20575	2.8
255.17308	1.9
257.18924	6.0
259.20529	10.2
267.15851	3.3
269.18857	1.8
271.20541	3.2
273.18478	4.1
273.21957	1.7
275.20026	36.2
276.20410	3.7
277.21582	2.7
285.18555	1.3
285.21921	1.1
287.19833	1.5
291.19473	2.7
293.21140	7.0
297.21915	1.5
299.19992	1.5
301.21619	3.5
313.21533	3.3
315.23126	2.7
325.21613	4.0
327.23129	1.5
329.24722	1.4
331.22882	2.0
333.24182	9.4
335.25809	2.7
337.21530	2.2
339.23151	3.2
341.28336	1.6
343.22574	1.5
347.22183	1.5
349.24127	9.4
355.22562	1.3
357.24115	2.4
361.24051	1.1
367.22870	5.7
375.25345	1.3
385.23654	3.6
403.24774	3.4
423.32709	1.3
441.26123	3.5
459.27301	3.9
477.28192	3.7
501.35428	1.6
513.35553	1.9
515.37915	3.8
533.40057	2.7
539.36969	1.6
547.52893	1.0
551.40619	4.1
555.37122	1.4
607.43542	19.6
608.44067	1.5
623.42627	1.7
625.44586	28.3
626.43878	1.5
637.81635	1.1
641.43799	1.7
649.44055	1.8
667.45374	3.1
679.44757	1.5
697.46582	1.5
709.46686	1.5
715.45093	3.8
721.45569	1.4
733.46832	6.7
751.47052	4.3
769.48712	5.4
787.49768	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	787.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.8
55.05501	35.3
57.03428	12.2
57.07065	2.4
59.04984	1.8
61.02910	15.7
65.03930	3.5
67.05132	3.2
67.05492	64.2
69.03421	15.3
69.07056	25.9
71.01319	2.0
71.04985	9.3
71.08612	1.6
73.02896	9.3
79.05476	50.6
81.03397	16.7
81.07042	61.4
83.04971	7.5
83.08601	15.7
85.02879	16.3
85.06531	5.6
91.03953	6.9
91.05463	48.8
93.07027	48.7
95.04948	11.0
95.08588	40.5
97.02879	14.1
97.06509	18.5
97.10148	14.6
99.04449	3.9
99.08077	2.9
103.05466	3.4
105.07010	44.8
107.04936	7.9
107.08572	31.2
109.02853	3.3
109.06495	7.2
109.10145	23.5
111.04404	1.5
111.08064	6.2
115.05416	3.8
117.06989	22.1
119.08559	34.9
121.06483	3.6
121.10129	19.6
123.08041	5.5
123.11679	8.3
125.09602	9.9
127.03905	4.3
128.06219	5.9
129.06984	18.5
130.07753	1.7
131.08542	26.9
133.06465	2.0
133.10101	26.7
135.08034	3.8
135.11641	9.5
137.09636	4.3
139.07518	1.3
139.11128	2.6
141.06976	7.8
142.07750	5.7
143.08542	24.0
144.09247	1.8
145.06529	1.9
145.10097	29.1
147.07986	3.6
147.11656	16.4
149.09595	8.4
149.13239	4.7
151.11206	2.9
153.06969	1.8
155.08542	16.2
156.09302	3.8
157.10094	22.5
159.08102	1.8
159.11670	22.2
161.09680	3.1
161.13211	8.5
163.11162	4.9
165.06995	2.2
166.07716	1.8
167.08548	7.8
168.09338	2.5
169.10086	19.4
171.07986	1.5
171.11653	21.1
173.04471	3.3
173.09601	2.9
173.11813	2.3
173.13191	13.2
175.11192	3.2
175.14784	3.5
177.12747	2.0
177.16397	1.6
179.08476	2.8
179.14281	3.1
181.10085	9.8
182.10913	2.1
183.11662	18.3
185.09621	3.0
185.13191	11.4
187.11165	3.2
187.13290	2.8
187.14735	6.8
189.11189	3.3
189.12643	1.7
191.14302	2.1
193.10098	3.6
194.10909	2.0
195.11679	8.4
197.13229	11.8
199.11166	2.2
199.14784	8.4
201.12675	1.6
201.16281	2.9
203.14197	1.4
207.11705	4.8
209.13222	9.8
211.14775	9.6
213.12860	2.0
213.16336	6.8
221.13271	4.7
223.14798	6.6
225.16394	5.2
227.12645	6.5
227.18045	2.9
229.14224	3.2
235.14787	3.1
237.16347	5.9
239.17992	5.9
241.19601	4.4
243.15683	2.1
245.18878	2.3
249.16533	1.8
251.18031	2.7
257.19019	4.7
259.20563	6.6
261.22147	1.9
263.17929	1.9
265.19342	1.8
271.20444	2.2
273.18488	5.9
275.20050	14.3
277.21750	2.1
283.20499	2.5
291.19467	3.8
295.20557	2.2
301.21725	1.8
303.23364	1.4
313.21509	2.7
323.23557	1.8
324.20596	1.4
325.21585	2.1
329.24759	1.8
333.24286	6.7
335.25766	2.4
349.23993	8.1
365.28143	4.7
367.22638	1.7
379.29846	3.1
381.31625	3.5
383.29800	1.7
421.30981	4.5
439.32010	3.1
445.30875	2.5
453.34256	1.9
495.34537	5.3
503.32800	1.8
513.35651	30.3
513.42743	2.6
514.35876	2.4
515.38367	6.2
527.37177	4.0
533.39600	5.1
539.37250	2.2
543.22333	1.8
551.40790	4.8
555.36298	2.9
589.42273	3.0
607.43420	47.3
608.43640	5.0
623.43378	2.7
625.44519	100.0
626.45044	9.2
649.44104	1.7
769.48407	3.3
787.49835	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	787.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.0
55.05504	58.0
57.03423	13.3
57.07058	4.1
59.04966	2.1
61.02917	21.4
65.03920	5.1
66.43622	2.1
66.82435	1.6
67.05495	69.4
69.03429	17.8
69.07056	31.4
69.60638	15.1
69.66280	1.6
71.04978	7.2
73.02900	6.3
79.05479	54.5
81.03397	16.3
81.07044	72.3
81.07532	3.6
82.07380	2.3
83.04954	11.3
83.08603	36.1
85.02883	20.1
85.06532	4.8
91.03937	7.8
91.05463	58.0
93.07025	62.8
95.04948	21.6
95.08005	3.1
95.08593	46.8
95.99799	1.8
97.02881	16.1
97.06510	14.9
97.10155	11.1
99.04422	4.4
99.08083	2.4
100.44079	2.2
103.05458	3.3
105.07010	56.4
106.33794	1.9
107.04939	9.1
107.08582	35.6
107.09293	1.2
109.02875	5.7
109.06512	11.9
109.10144	25.8
111.04422	3.2
111.08057	8.1
114.79828	1.9
115.05424	4.4
116.06222	1.9
117.06989	25.3
117.07760	2.0
119.08558	44.9
121.06480	5.5
121.10136	20.4
123.08044	7.0
123.11679	7.6
125.09609	9.8
127.03901	6.4
128.06213	5.9
129.05501	2.4
129.06975	19.4
131.08545	36.7
133.06480	4.4
133.10114	31.7
135.08043	10.3
135.11673	17.3
137.09570	5.3
141.06992	8.0
142.07785	3.1
143.08548	24.6
144.09322	2.7
145.06473	5.0
145.10095	34.0
147.08012	3.2
147.11661	20.9
149.09592	11.8
149.13232	7.2
153.06999	2.3
154.07813	2.8
155.08525	18.1
156.09335	2.2
157.10086	27.2
159.08075	4.3
159.11636	23.1
159.48167	2.2
160.79115	1.7
161.09607	3.0
161.13191	11.9
163.11162	13.5
163.14789	2.7
165.06978	2.5
165.12852	4.1
167.08595	8.5
168.09297	3.0
169.10107	20.6
171.08044	2.5
171.11656	23.5
173.04384	2.7
173.09604	6.3
173.11919	2.3
173.13193	12.5
175.11172	3.3
175.14819	3.0
177.12743	4.0
179.08537	4.9
179.14311	2.3
181.10089	13.9
182.10959	1.9
183.11653	16.5
185.09700	2.9
185.11717	3.1
185.13210	15.2
187.11249	3.5
187.14792	6.4
189.11163	4.8
189.12677	3.5
191.14255	2.3
193.10143	5.9
195.11653	9.8
196.08783	2.0
197.09512	2.3
197.13222	12.1
199.11174	4.4
199.14780	8.3
201.12737	3.4
201.16310	3.4
203.14104	2.6
207.11697	5.7
208.12372	2.1
209.13274	8.2
211.14801	8.3
213.12654	3.6
213.16414	3.3
215.18130	2.3
217.15971	2.5
221.13284	5.8
223.14771	6.4
225.16414	6.8
227.12653	3.2
227.18005	4.2
227.20045	7.9
228.20296	5.2
228.28624	1.8
233.13260	3.8
235.14798	3.5
237.16382	3.2
239.17899	4.8
241.19450	8.6
245.13417	2.5
249.16341	2.4
257.18982	5.7
259.20563	14.7
273.18423	5.3
275.20093	24.3
277.21848	3.3
281.18845	2.2
283.20642	2.4
293.21118	4.6
297.22095	3.3
301.21545	2.3
309.21786	3.4
313.21579	2.8
315.23196	4.1
333.24304	12.3
335.25909	2.4
337.25058	2.1
349.23685	15.3
350.24182	2.0
367.25156	3.0
379.30118	2.3
385.23428	1.9
403.25067	2.2
407.29056	2.1
429.31122	2.8
477.33124	2.7
499.34073	9.0
503.33978	2.6
513.35797	14.3
515.38055	7.8
517.34851	4.0
525.35297	2.1
533.39612	8.3
539.37067	3.1
541.38580	2.2
551.40472	7.1
553.38153	3.1
555.37115	3.3
589.42395	3.0
607.43481	49.7
608.43628	4.3
625.44562	100.0
626.44678	8.8
649.44202	2.5
661.35742	2.0
702.16266	2.0
733.46082	4.1
751.47333	2.8
769.48370	6.0
787.49847	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.5
55.05239	2.3
55.05501	32.7
57.03428	14.4
57.07051	4.6
61.02907	5.6
63.02301	1.5
65.03920	6.5
65.77036	1.6
67.05495	72.7
68.05839	1.7
69.03423	15.5
69.07059	29.6
69.46039	8.2
69.46474	9.0
71.04971	5.7
71.08618	1.7
72.49299	2.0
73.02899	3.3
74.40906	1.4
75.97321	1.6
79.05479	57.4
80.05796	1.8
81.03407	22.0
81.07043	100.0
82.07354	2.2
83.04964	11.0
83.08612	17.5
85.02892	13.1
85.06525	2.8
91.05461	66.0
92.05754	1.7
93.07027	56.4
95.04955	17.9
95.08588	50.0
96.08896	2.3
97.02892	12.6
97.06518	15.5
97.10148	4.7
99.04401	3.3
99.08055	3.3
103.05471	2.5
105.07014	61.6
106.07350	2.5
107.04934	15.0
107.08577	31.7
109.02837	12.0
109.06502	20.4
109.10139	21.2
111.04417	5.4
111.08072	6.3
113.05961	1.9
115.05437	4.3
117.07000	24.8
119.07731	3.0
119.08564	45.1
121.06480	7.8
121.10130	20.6
123.04379	3.8
123.08050	8.2
123.11674	9.4
125.09618	3.0
125.80892	1.7
127.03899	5.1
128.06187	4.9
129.05486	3.0
129.07001	20.3
131.04942	2.0
131.08539	38.4
133.06462	7.9
133.10107	26.3
135.04384	1.8
135.08015	7.6
135.11688	13.2
137.09554	2.6
141.06996	7.3
142.07735	5.4
143.08519	19.6
145.05301	1.3
145.06445	8.3
145.10103	32.4
147.07993	4.7
147.11656	31.0
149.09583	7.8
149.13263	9.2
151.07562	1.9
151.11128	1.8
152.06171	2.0
153.07050	1.8
153.09076	1.9
154.07758	1.9
155.08521	14.4
157.06477	2.4
157.10121	15.5
159.08032	3.9
159.11658	21.4
161.05942	2.0
161.09601	7.0
161.13197	10.4
163.11142	6.8
165.06961	2.5
165.12735	5.0
167.08542	5.9
168.09315	2.7
169.10132	12.6
170.10936	1.8
171.08014	3.2
171.11655	15.3
173.04347	1.8
173.09576	4.8
173.13203	11.9
175.11191	6.7
175.14790	5.9
177.09076	1.8
177.12714	4.7
179.08490	1.7
179.14233	2.6
181.10101	6.9
182.10930	1.8
183.08041	3.0
183.11609	11.0
185.09627	3.8
185.13177	10.6
187.11188	4.1
187.14760	5.6
189.12679	2.8
189.16422	2.3
191.14258	2.4
193.10220	1.7
195.11649	7.3
197.09561	2.2
197.13271	4.9
199.11189	3.1
199.14813	4.9
201.12727	3.8
201.16367	2.4
207.11685	4.0
209.13176	5.3
211.11261	2.1
211.14815	4.2
213.12724	3.0
213.16396	3.3
215.17957	2.6
219.11627	2.9
221.13206	3.1
223.14897	2.5
225.12766	1.9
225.16429	2.3
227.14546	2.0
227.17908	2.1
229.19502	2.5
231.20943	1.9
233.19048	2.0
235.14871	2.0
237.12711	3.6
239.17877	3.0
241.19519	3.7
255.17439	2.2
257.18967	5.7
259.20514	11.8
267.15921	3.9
271.20468	2.9
273.18579	4.0
275.20041	35.0
276.20432	6.4
277.21332	2.2
291.19489	3.4
293.21091	5.6
299.20099	2.9
301.21530	2.6
315.23083	2.9
325.21371	2.6
333.24228	8.3
335.25888	3.2
337.21597	1.7
339.23087	3.3
349.23645	7.5
350.23883	2.5
351.25012	2.3
355.22476	1.7
367.22070	4.0
367.24545	3.2
381.26791	1.9
385.23721	2.5
403.24762	4.7
415.27908	2.0
441.25940	3.3
477.27957	2.8
513.35522	2.1
515.37988	3.9
533.39777	3.7
551.40979	2.5
555.36053	2.2
597.44928	2.0
607.43262	18.0
625.44470	32.7
649.45703	1.7
653.43103	1.9
691.45197	3.2
709.46667	2.5
715.44452	3.9
721.45789	2.3
733.46558	8.8
751.47174	5.0
769.48212	7.4
787.49390	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	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	20.4
55.05503	46.3
56.31019	1.8
57.03428	21.2
57.07051	6.7
59.04991	3.0
61.02919	19.1
61.10014	1.8
65.03927	7.3
65.28435	1.8
67.05495	99.0
68.05806	2.3
69.03421	20.2
69.07059	37.1
69.51301	6.6
69.51730	11.1
71.04968	9.6
73.02902	8.3
79.02952	1.6
79.05481	71.8
81.03403	29.1
81.07045	95.4
82.07378	2.4
83.04961	11.9
83.08613	24.1
85.02891	25.6
85.06518	5.0
91.03944	6.0
91.05467	79.9
91.06044	3.8
92.05002	2.0
93.07034	71.6
94.07367	3.3
95.04962	20.7
95.08595	62.5
95.09203	3.9
96.08911	1.8
97.02872	20.2
97.06520	17.7
97.10153	17.0
98.05830	2.1
99.04423	4.1
99.08089	5.6
101.02390	2.8
103.05437	2.8
105.07014	73.3
107.04930	16.7
107.08572	42.3
107.09244	3.4
109.02864	7.9
109.06486	12.8
109.10133	38.2
111.04430	3.6
111.08038	9.1
115.04037	1.8
115.05457	5.0
117.07001	27.5
118.06533	5.5
119.08560	51.5
121.06493	6.9
121.10126	26.9
123.08065	8.6
123.11684	9.2
125.09605	8.1
127.03897	8.2
128.06201	8.0
129.05482	2.9
129.06975	27.6
130.07793	3.4
131.08543	43.5
133.06509	4.6
133.09152	3.8
133.10114	38.8
134.10468	1.9
135.08014	6.7
135.11681	13.3
137.09612	6.8
137.13208	2.6
139.11156	2.4
141.06979	8.9
142.07788	5.6
143.08530	29.5
145.04968	2.0
145.06427	3.6
145.10107	35.3
146.10535	1.9
147.08069	6.9
147.11671	25.0
149.09563	10.3
149.13243	7.9
151.11179	5.6
153.06947	2.7
154.07748	3.1
155.08502	15.9
156.09302	3.5
157.06549	2.1
157.10103	26.4
158.10657	2.0
159.08046	4.3
159.11676	28.6
161.09615	5.1
161.13255	11.3
162.09067	9.5
163.09906	2.5
163.11124	9.3
163.14790	4.0
165.06993	3.0
165.09068	2.1
165.12758	3.6
166.07761	2.4
167.08536	8.3
169.10097	24.0
170.10899	2.4
171.11679	22.4
173.04462	4.7
173.09634	5.1
173.11774	3.1
173.13257	14.5
175.11217	5.2
175.14815	4.8
179.08475	4.2
180.09314	2.7
181.10085	11.9
182.10757	2.3
183.11653	25.8
185.09657	3.3
185.13223	15.7
187.11302	3.7
187.14828	6.4
189.11215	4.4
189.12718	3.3
193.10075	5.3
193.12245	5.4
195.11670	10.7
195.13412	1.8
197.13196	14.1
199.11171	3.1
199.14803	11.7
201.12778	2.0
201.16446	2.5
203.17911	2.6
205.10194	2.7
205.12189	2.0
207.11772	5.6
208.12485	2.0
209.09665	2.4
209.13225	8.0
211.13094	4.5
211.14870	5.9
213.12746	2.5
213.16388	7.7
218.10808	1.9
219.11725	2.6
221.13261	6.2
223.11105	2.4
223.14801	7.5
225.16344	7.1
227.12671	4.2
227.17978	2.4
229.14322	6.9
230.15399	14.2
233.13142	2.8
233.15355	2.2
235.14882	2.1
237.16315	3.8
239.17960	5.7
241.19556	6.7
249.16327	2.3
255.17401	2.2
257.18988	8.2
259.20468	9.2
265.19434	2.7
267.15878	7.3
273.18579	3.4
275.20114	32.0
276.20349	4.5
277.21521	3.6
279.15744	2.3
285.17062	8.1
291.19714	3.4
292.19000	39.1
292.22018	3.6
297.22113	2.8
299.19992	3.1
301.21512	1.8
307.20309	2.2
309.21872	2.5
313.21759	3.5
315.23105	2.8
333.24240	6.2
335.23605	2.0
343.22549	2.4
348.21793	2.5
349.23666	14.9
365.28418	4.9
367.25198	2.5
379.29895	4.0
381.26871	2.8
385.23630	4.0
403.29745	3.2
421.30832	4.4
495.34583	6.6
510.27182	3.0
513.35608	34.0
515.38367	6.1
527.36407	5.1
529.52002	2.1
533.39636	7.1
535.02594	2.0
541.35083	14.2
543.37024	2.2
551.02539	2.4
551.41046	4.3
555.36450	2.5
589.42365	4.2
591.38910	4.4
607.43585	46.9
625.44568	100.0
626.44574	9.0
675.41473	2.8
733.46063	4.9
769.48151	7.6
787.49908	16.1
788.49207	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.7
63.65730	0.6
63.66122	0.5
65.03927	1.0
67.05486	1.9
69.03418	1.3
69.15672	0.5
70.06559	0.8
71.08615	1.2
71.08996	1.2
72.08097	0.6
73.02899	0.6
79.05479	1.8
80.05009	1.1
81.03401	3.1
81.07047	1.6
82.06523	0.7
83.66344	0.6
85.02901	1.3
91.05461	1.8
92.04981	1.3
93.05759	1.1
93.07037	2.7
94.06558	5.6
95.04967	1.3
95.07365	1.7
96.08104	3.3
97.02855	1.0
103.05457	0.9
105.07030	1.1
106.06549	1.4
107.07354	1.4
108.04447	1.6
108.08096	10.3
109.02903	0.5
110.09629	3.4
112.73536	0.7
116.04966	1.5
118.06528	1.3
120.04460	3.7
120.08083	8.3
122.06013	5.3
122.09633	3.6
124.07571	2.3
127.03912	0.9
130.06499	0.6
132.08063	0.8
133.10187	0.7
134.06041	2.0
135.06883	0.8
136.07542	9.5
138.05542	0.8
138.09103	6.7
143.04938	0.6
144.04442	2.6
146.04860	1.2
146.05969	10.2
148.07538	6.1
150.09138	2.6
152.07086	1.0
160.03920	2.8
160.07542	1.0
162.05501	1.7
164.07071	1.2
166.08597	4.1
167.07127	0.8
172.03925	6.1
172.07642	0.9
174.05447	3.0
176.07065	1.3
182.09680	1.1
184.09888	1.0
186.05513	1.4
186.09158	0.9
188.07082	0.9
190.04942	7.9
197.10748	1.8
198.11533	1.0
199.12244	2.0
209.10822	1.4
210.09219	1.0
210.11345	0.8
211.08717	1.9
211.12305	1.5
212.09421	1.8
213.10208	1.1
223.08722	1.3
223.12346	0.9
224.09285	1.1
225.10201	7.1
226.11092	1.6
227.11766	12.2
229.13312	0.8
235.08685	1.4
236.09416	1.5
237.10272	3.5
238.11018	1.4
239.11710	3.4
241.09717	1.0
241.13422	2.0
249.10335	1.6
250.10909	1.2
251.08147	1.6
251.11755	4.5
253.09708	4.7
253.13322	0.9
254.98711	0.7
255.11299	2.8
261.10205	1.1
263.08228	2.1
263.11404	0.7
263.39902	0.6
264.08957	2.4
265.09738	3.0
265.13599	0.6
266.10474	1.3
267.11273	4.0
269.12851	4.0
271.10800	4.7
273.12433	1.8
277.09756	2.6
278.10098	0.8
279.11151	6.9
281.12814	1.9
283.10870	1.7
284.11581	1.0
285.12350	2.4
287.14218	0.9
291.11224	0.7
293.09457	0.7
293.12857	1.0
295.10776	2.0
297.12302	4.5
299.14188	1.3
300.11606	1.0
301.12497	0.9
307.10754	1.6
309.12308	1.2
313.12241	1.3
314.12741	1.3
315.13766	1.4
316.14584	1.6
317.15237	1.2
321.12433	1.4
323.10526	1.0
325.11740	4.4
326.12662	1.0
326.16519	1.2
327.13583	1.4
328.10898	2.3
328.14511	2.6
329.11502	2.2
329.15216	1.7
330.12405	1.3
330.16019	2.2
331.16864	0.8
337.11789	0.6
339.13550	2.4
340.14563	1.4
341.11871	1.0
342.12408	6.2
342.15747	1.1
343.13043	4.6
344.13831	2.1
344.17648	0.9
352.14514	1.8
353.15182	0.8
354.12161	1.3
354.16095	2.3
355.13245	2.1
356.13779	6.1
356.17581	0.9
357.14883	1.9
358.15540	5.0
366.16473	1.1
367.12906	1.0
367.17142	0.7
368.13852	1.4
370.15576	4.1
371.16071	1.8
372.17212	1.9
374.15500	0.7
380.13934	1.3
381.14450	1.2
382.11746	1.7
382.15823	1.2
383.12787	1.9
384.13382	2.1
384.17432	1.4
385.13785	1.1
386.14658	3.4
388.16812	1.8
394.15430	1.1
395.16174	1.0
397.13800	1.3
398.14911	12.5
399.15570	6.1
400.16476	3.2
404.15921	1.4
410.15369	0.8
411.15582	1.2
412.16605	2.1
414.18207	2.2
416.15686	2.9
417.16895	1.5
418.17633	1.0
422.15363	1.1
425.13550	0.8
429.16281	0.9
430.17386	1.4
431.18121	1.0
439.14929	0.9
440.16156	2.2
442.17584	0.8
454.17432	0.8
458.17294	2.5
467.14417	1.0
488.18182	1.1
496.18298	0.8
500.18011	1.1
523.23834	0.9
530.18726	1.0
533.21191	0.7
534.22473	1.1
542.19244	0.8
548.19659	1.4
554.19037	1.5
556.20715	1.3
560.20148	5.8
566.19427	1.1
572.20337	2.1
584.20233	2.6
590.21063	3.2
593.24060	1.7
602.21307	9.2
653.26068	1.3
673.27228	1.4
685.28198	1.1
691.27600	1.4
701.25671	1.0
709.28693	2.6
711.30212	4.9
713.28204	7.9
719.27295	2.7
727.29651	4.7
737.28064	7.0
755.29053	100.0
756.29614	7.3
787.31427	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	787.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30213	0.5
69.74436	3.7
77.00895	0.6
101.00874	1.4
119.01897	7.1
127.02407	0.5
131.01865	2.0
137.02936	1.2
143.01889	2.8
145.03452	3.3
149.02933	0.7
155.01884	1.9
157.03461	2.0
161.02934	5.8
166.23488	0.4
167.01884	1.8
169.03485	0.9
172.50017	0.4
173.02907	5.0
185.02936	9.3
187.04488	1.2
197.02930	4.2
203.03992	2.2
215.03934	2.6
227.03999	2.1
245.05057	17.4
257.04968	0.6
263.06174	2.3
275.05988	1.3
286.99481	0.6
291.03409	0.9
297.02515	0.9
300.02805	0.5
305.07144	1.3
313.01904	1.5
315.03516	1.6
319.02921	4.0
323.02701	0.6
325.01743	6.1
326.02246	0.6
330.98645	0.8
331.02914	10.7
333.04538	19.8
334.04941	0.9
337.03696	1.7
342.02261	0.9
342.51996	0.6
343.02921	27.0
343.52176	0.5
344.03030	1.0
345.04327	1.2
347.06296	1.2
348.02481	0.6
348.52484	0.9
349.03479	0.8
351.05698	8.9
351.52914	0.7
352.02618	1.0
354.02286	0.6
354.52368	1.0
355.02814	9.4
361.03992	100.0
362.04184	4.1
363.05554	0.8
363.52805	1.5
364.02527	1.2
365.09164	1.3
366.04721	0.7
367.02731	3.6
369.04367	1.3
369.52853	0.6
373.04037	4.2
375.05273	0.6
379.05087	34.5
380.05084	1.5
381.04395	1.5
384.05618	4.9
385.03918	15.9
386.04123	0.9
391.05127	7.1
397.04062	2.1
399.05594	0.9
403.05051	62.8
404.05270	3.2
409.03961	2.5
415.04755	3.7
417.06567	1.1
423.54785	0.9
424.05008	0.7
426.06601	3.1
427.05081	4.8
433.06119	2.5
439.05078	1.8
444.05963	2.4
444.55203	3.8
445.06018	12.7
445.55765	1.7
453.05920	1.0
453.55774	1.5
454.05682	0.8
454.55844	0.7
463.07166	55.1
464.07413	2.1
469.06204	1.3
474.56686	1.2
475.06586	1.1
486.08865	3.9
487.07220	12.0
488.07361	0.6
505.08212	62.5
506.08292	2.3
517.08276	3.6
529.08051	3.4
535.09204	2.1
559.09235	1.7
565.10828	0.6
577.10492	1.1
589.10199	1.5
607.11279	10.3
625.12378	1.1
667.13062	1.7
787.17413	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	786.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.9
55.05236	2.2
55.05505	41.3
57.03428	14.3
57.07062	1.5
60.14164	1.4
61.02913	2.6
65.03925	5.5
67.05497	79.6
67.28405	1.4
68.05834	2.2
69.03423	8.9
69.07062	29.3
70.06572	1.9
70.24305	5.6
70.24712	2.6
71.04988	8.8
73.06531	1.5
79.05484	94.6
80.05826	1.9
81.03416	24.9
81.07045	100.0
82.07375	2.6
83.04967	18.9
83.08607	21.6
83.27406	1.7
85.02891	6.9
85.06519	3.8
91.03974	2.0
91.05466	74.4
92.05798	2.6
93.07032	84.2
94.07359	3.4
95.04958	37.1
95.08601	39.3
96.08941	1.8
97.02882	7.4
97.06503	13.4
97.10169	17.4
99.04454	4.0
99.08068	5.2
103.05502	2.4
105.07013	55.5
106.07362	3.0
107.04941	20.1
107.08577	36.3
109.02864	4.4
109.06495	16.7
109.10139	15.3
111.04453	9.4
111.08084	9.2
115.05446	3.6
117.07004	21.6
119.04951	1.8
119.08569	48.4
120.08930	2.4
121.06484	12.6
121.10110	14.6
123.04476	1.8
123.08055	22.8
123.11683	2.8
125.09593	16.1
127.03924	5.3
128.06230	4.2
129.05441	1.9
129.06973	20.4
130.07774	1.6
131.08556	20.4
132.08836	1.7
133.06470	7.1
133.10118	25.0
135.08043	8.6
135.11690	13.2
137.09598	5.9
141.06941	2.0
143.08548	16.0
144.00829	1.7
145.06491	4.0
145.10114	26.5
146.78288	1.6
147.08063	12.1
147.11664	32.6
149.09592	11.5
149.13217	3.6
151.11150	3.1
153.09059	1.6
153.12755	4.2
155.08534	4.9
157.10155	8.6
159.08029	3.3
159.11713	8.6
160.11948	2.0
161.09602	14.3
161.13248	9.3
163.11145	16.7
165.09109	4.2
167.08572	1.7
167.74031	1.7
169.10095	4.7
171.11659	24.9
173.04449	2.4
173.09549	4.1
173.13249	3.0
175.11171	4.6
177.12762	4.3
181.12227	2.6
183.11606	2.5
185.09589	2.2
185.13287	3.2
187.11089	3.7
189.09584	2.5
189.11317	11.3
189.12741	10.0
191.10626	3.9
193.12254	2.8
195.11594	2.3
197.13287	2.4
199.11148	2.9
199.14890	2.3
205.12273	3.4
207.13800	20.4
209.13232	2.0
215.14430	1.7
217.15826	2.5
223.13330	4.7
227.12753	17.0
227.17900	3.1
229.14177	1.8
236.91014	1.9
245.19022	3.5
255.17482	3.9
269.17477	2.2
273.18472	38.9
275.20032	13.1
276.20407	5.3
279.16031	3.4
281.17432	70.9
283.15298	3.2
291.19498	45.1
292.20172	1.7
293.21002	1.9
299.15005	2.9
309.20660	2.3
324.75607	2.0
347.22122	10.9
349.23703	5.9
350.24188	2.9
365.23230	20.7
383.24228	5.2
445.29633	2.9
451.26736	3.3
475.30179	4.6
503.30045	2.3
507.29288	2.2
553.35297	14.9
557.34882	2.5
571.36310	61.6
588.75610	1.8
589.37598	19.4
624.43414	3.9
786.47791	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	785.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	14.9
55.05503	45.8
57.03429	16.0
57.07059	7.9
58.75835	2.5
60.82493	2.2
61.02905	9.4
61.50282	2.8
63.23466	2.3
65.03923	5.3
67.05141	5.7
67.05493	95.7
69.03419	28.0
69.07058	39.1
71.04966	8.2
73.02901	4.9
79.05480	73.1
81.03410	49.8
81.07047	100.0
83.04972	16.4
83.08608	22.7
85.02889	18.5
85.06536	7.1
88.44671	2.4
91.03951	4.6
91.05466	87.0
93.07033	69.5
95.04971	29.6
95.08595	69.7
97.02882	18.4
97.06525	16.4
97.10152	9.3
99.04429	6.6
99.08069	5.4
105.04505	3.1
105.06325	5.0
105.07016	76.5
107.04946	16.0
107.08581	43.7
109.02863	10.3
109.06518	18.6
109.10146	32.0
111.04406	8.1
111.08042	9.6
113.09584	3.0
115.05442	4.7
116.06176	3.1
117.06994	31.0
119.04894	2.4
119.08564	44.4
121.06541	12.1
121.10112	22.1
123.04363	2.9
123.08046	12.2
123.11681	9.0
125.09609	7.4
127.03909	13.1
128.06197	4.5
129.05457	3.9
129.06995	25.7
130.07768	4.6
131.08542	42.5
133.06453	7.7
133.10107	47.6
135.08034	14.2
135.11685	11.4
137.09586	5.9
139.11124	3.8
141.06949	6.2
142.07768	6.9
143.08563	25.2
145.06425	8.9
145.10101	38.3
147.08012	5.8
147.11674	21.0
149.09569	15.0
149.13211	3.4
151.11153	11.3
154.07693	4.3
155.08517	15.1
156.09349	3.9
157.06467	4.8
157.10074	21.0
159.08047	7.1
159.11641	23.7
161.09590	9.1
161.13234	6.8
163.11147	9.3
165.06917	4.8
167.08516	8.6
169.10091	17.6
171.07991	7.1
171.11691	19.7
173.04434	17.3
173.09584	7.1
173.11858	2.6
173.13231	14.8
175.11140	5.5
175.14760	4.5
177.12727	2.8
179.10690	2.8
179.14302	3.9
181.10115	9.5
183.08052	2.7
183.11662	18.7
185.09593	4.0
185.13222	10.9
187.11118	4.8
187.14806	5.2
189.11174	3.7
189.12747	4.8
191.08693	2.7
193.10052	4.4
195.11623	8.1
197.09573	4.3
197.13217	10.7
199.11140	3.4
199.14777	6.4
201.12746	2.8
201.16396	2.7
207.11711	4.9
209.13220	7.9
211.11076	3.8
211.14815	7.3
213.12665	3.9
219.13794	3.0
221.13248	5.0
223.11066	3.2
223.14915	3.6
225.12801	3.7
225.16206	3.4
227.17938	3.9
237.16367	3.4
239.17834	4.1
247.14621	2.9
249.16315	2.6
253.14238	3.7
255.17499	4.0
257.18915	6.8
258.83386	2.5
259.20624	6.2
273.18518	5.3
274.47006	2.7
275.20016	38.6
279.51932	2.7
283.20502	4.7
291.19547	9.6
293.21075	3.9
297.22159	4.0
299.20078	5.7
307.20471	3.6
313.21555	6.3
313.27347	4.5
323.19855	3.6
329.24985	3.5
335.25897	2.9
339.23407	2.6
341.20810	5.2
349.23642	10.5
367.22498	3.1
383.22153	4.4
487.33905	6.0
489.35657	2.8
499.33539	5.6
501.35910	5.5
513.36572	5.8
529.34967	3.8
531.37750	8.2
549.39032	7.5
575.90881	2.6
595.43042	3.5
605.41626	23.6
610.28174	4.4
623.42987	61.7
641.43939	3.1
731.44128	4.5
749.45282	5.4
767.46417	7.9
785.48206	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	20.0
55.05502	75.2
55.97132	1.9
57.03433	14.8
57.07063	6.4
59.04967	3.2
61.02912	12.0
62.89466	1.5
65.03929	6.6
67.05495	100.0
69.03420	29.8
69.07055	42.8
71.01321	2.8
71.04981	12.5
71.08614	2.6
73.02911	7.9
79.05482	85.7
81.03407	39.7
81.07040	93.0
83.04969	18.4
83.08607	33.2
85.02895	18.4
85.06538	6.7
87.04449	1.9
91.03943	6.1
91.05468	85.0
93.07030	73.2
95.01306	5.3
95.04958	28.4
95.08591	59.5
95.79693	1.6
97.02876	15.9
97.06512	25.8
97.10155	29.9
99.04446	7.0
99.08078	3.9
101.02357	1.9
103.05467	5.2
105.04536	2.1
105.07010	80.4
106.07323	1.9
107.04939	19.0
107.08575	48.1
109.02829	8.0
109.06502	14.4
109.10136	27.6
111.04417	6.0
111.08061	9.4
115.05464	8.0
116.06235	2.3
117.07001	41.6
119.04891	2.8
119.08562	55.7
121.06470	9.0
121.10126	20.4
123.04400	2.9
123.08067	12.7
123.11678	4.9
125.09624	28.1
127.03915	12.4
127.07507	1.9
128.06200	9.8
129.05472	2.4
129.06987	33.5
130.07805	4.3
131.04893	3.1
131.08548	49.7
133.06493	7.2
133.10121	38.9
135.08040	12.3
135.11659	13.4
137.09615	5.1
139.07521	3.0
139.11134	2.1
141.06985	15.1
142.07782	9.0
143.08543	32.2
145.06470	8.2
145.10114	37.2
146.10449	1.7
147.04399	1.9
147.08028	8.2
147.11652	25.5
149.09601	12.4
149.13246	6.4
151.11134	2.7
152.06137	2.0
153.07036	3.8
153.09103	3.8
154.07756	4.7
155.08536	23.7
156.09317	2.8
157.06482	4.3
157.10112	25.8
159.08064	7.5
159.11679	24.7
161.09615	7.3
161.13193	11.2
163.07603	2.8
163.11153	9.9
163.14825	2.6
165.07002	5.8
165.09106	3.1
165.12694	3.9
166.07686	2.4
167.08511	15.7
168.09331	4.9
169.06433	2.4
169.10077	23.7
171.08029	6.0
171.11647	19.7
173.04488	4.8
173.09616	7.5
173.11810	3.9
173.13171	14.0
175.11136	4.4
175.14824	2.8
177.12718	5.2
178.07701	2.6
179.08542	6.7
179.14246	8.2
180.09409	2.2
181.10118	16.9
181.11649	2.2
181.12183	1.8
182.10846	3.4
183.08034	2.3
183.11647	20.9
184.12383	3.2
185.09610	4.1
185.13214	15.3
187.11142	4.8
187.14804	4.6
189.11211	16.5
189.12685	3.0
189.16383	2.4
191.08441	2.2
191.14214	2.2
192.09407	2.3
193.10144	8.1
193.11903	1.8
195.07988	2.1
195.11624	13.6
197.09669	2.1
197.13232	15.5
199.11145	5.1
199.14780	7.6
201.12685	2.0
201.16389	2.2
203.08638	2.0
205.10143	2.8
207.11674	8.0
207.13516	1.8
208.08891	2.1
209.13268	13.8
211.11150	3.8
211.14760	9.2
213.12790	2.9
213.16397	3.5
215.14316	2.9
219.11604	2.9
221.13249	6.1
221.15329	1.7
223.14822	7.4
225.12744	4.4
225.16376	6.1
227.12633	14.6
227.14583	1.8
227.18037	2.7
229.91403	2.4
233.13319	2.3
233.15591	2.2
235.14803	6.5
237.16376	5.4
239.14197	2.8
239.17926	6.2
241.19569	2.1
247.20605	4.4
249.16486	2.5
251.17894	2.8
253.15932	1.9
253.19592	2.7
257.18970	10.8
259.20517	5.8
261.16397	2.1
263.17996	2.0
265.19449	3.1
271.16995	3.1
273.18497	8.8
275.20035	70.8
276.20340	2.3
283.20572	2.1
291.19357	16.5
293.21100	7.1
295.17062	1.7
295.20642	3.5
297.21783	2.2
309.22281	2.8
311.19809	3.0
313.21466	2.9
321.21967	2.2
325.21661	2.3
327.19312	3.2
327.23010	3.5
331.22607	2.2
333.24469	3.3
335.25760	2.0
341.21182	2.4
349.23871	21.2
359.22476	1.9
363.26740	2.2
367.22610	1.9
377.28519	2.2
379.29941	11.3
383.21909	3.4
401.28394	2.9
419.24228	3.0
419.29230	2.3
445.30344	2.0
459.27545	3.0
461.30338	1.9
493.27725	3.1
511.34247	3.8
513.36389	7.0
526.99640	1.8
529.34332	2.7
531.37939	7.9
541.35046	2.8
549.39093	6.1
553.34937	3.1
554.35303	4.7
555.36102	2.2
595.43323	2.6
605.41943	30.0
606.42145	2.1
623.42987	90.9
624.42926	6.6
641.44092	2.5
665.43396	2.5
695.43182	2.2
749.45599	5.3
767.46625	6.3
785.48267	30.8
786.47107	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	785.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.6
55.05503	11.7
57.03432	7.5
57.07067	0.9
59.04998	1.3
61.02607	1.6
61.02917	28.5
65.03937	2.7
67.05495	28.7
69.03415	5.8
69.07053	9.4
70.06567	1.0
70.76028	2.6
71.04984	2.4
73.02905	8.5
75.63648	0.7
79.05479	23.0
81.03411	6.5
81.07043	24.0
83.01335	0.8
83.04965	2.7
83.08609	8.0
85.02892	25.0
85.06518	2.1
91.03943	15.5
91.05466	31.6
93.07032	22.4
95.04941	6.1
95.08585	16.2
97.02876	16.8
97.06515	4.2
97.10158	3.3
99.04446	2.6
99.08066	1.4
103.05452	2.3
105.03366	0.9
105.04504	0.9
105.07013	24.2
107.04937	4.4
107.08576	10.4
109.02867	2.3
109.06487	4.7
109.10134	7.6
111.08074	2.2
114.71910	0.7
115.03905	1.5
115.05446	3.2
116.06208	1.1
117.07003	18.2
118.04134	0.9
119.04942	1.1
119.08576	13.5
121.06507	5.1
121.10105	7.3
123.08051	3.0
125.09606	2.1
127.03915	6.0
128.06200	5.3
129.06985	24.0
131.04922	2.4
131.08546	29.0
133.06468	3.7
133.10118	11.3
135.08023	4.2
135.11665	2.9
136.84990	0.8
137.05916	1.3
137.09573	1.8
139.11104	1.1
141.06985	11.3
142.07758	2.5
143.08546	17.8
145.05009	4.4
145.06454	6.3
145.10104	15.3
147.08009	4.4
147.11633	4.7
149.09590	5.1
149.13217	1.6
152.06198	1.0
153.06960	2.1
154.07706	1.7
155.08517	18.8
157.06476	3.0
157.10112	12.1
159.08046	3.8
159.11679	8.4
161.05994	1.1
161.09624	3.5
161.13255	1.7
163.05988	2.9
163.11137	2.7
165.06995	2.1
165.12770	1.2
166.07750	1.7
167.08533	7.1
168.09369	1.3
169.10109	9.3
171.08011	2.6
171.11658	7.0
173.09601	1.7
173.13242	2.8
175.11171	2.5
175.14832	0.9
177.12735	2.4
179.08556	3.6
180.09326	2.1
180.30983	0.9
181.10104	7.5
182.10851	1.2
183.08006	1.4
183.11652	7.7
185.09656	2.5
185.13203	5.2
187.07368	0.8
187.11191	2.3
187.14778	2.1
189.12646	1.9
191.08560	0.9
193.10143	3.9
193.11859	0.8
194.10822	1.2
195.11674	9.4
195.13428	1.2
197.09531	1.1
197.13205	6.0
199.11246	1.7
199.14856	1.9
201.12727	2.0
205.10086	1.8
205.12070	1.1
207.11671	3.0
209.13257	4.9
211.11151	1.4
211.14725	4.8
213.12755	3.4
215.14394	3.7
217.12248	1.0
219.11742	1.7
219.13727	1.0
221.13260	5.7
223.14822	4.5
225.12737	3.2
225.16411	1.8
227.14377	1.8
229.16040	1.6
231.13889	1.0
233.13182	1.6
235.14780	4.2
237.16353	1.6
239.14363	3.9
241.15823	2.2
243.13820	1.5
243.17429	0.9
245.15375	1.0
251.14372	1.0
253.15945	2.2
257.15396	2.3
259.16901	1.4
267.17459	1.6
269.15359	1.0
271.16858	4.1
275.53165	1.0
285.18408	1.6
295.20847	0.9
305.22638	1.8
315.21112	1.9
323.23584	5.9
333.22058	10.4
341.24759	5.4
351.23114	31.7
352.23535	1.2
369.24191	23.9
387.25198	12.1
389.24734	1.2
407.25699	0.9
415.28458	1.7
425.26895	8.9
433.29294	1.6
443.27872	100.0
444.28134	3.0
461.28931	59.5
462.29462	1.9
485.28922	1.5
503.29797	2.4
587.31714	2.3
605.33191	3.2
623.33838	3.1
774.47107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.9
55.05501	26.1
57.03422	7.8
57.07063	1.3
57.62920	0.8
59.04995	1.0
61.02904	1.9
65.03925	3.6
67.05494	44.7
69.03404	2.6
69.07059	16.3
70.17770	0.9
71.04979	11.3
71.08595	0.9
71.70190	1.1
73.06552	1.4
79.05479	55.8
81.03404	8.3
81.07042	81.2
83.04965	10.1
83.08598	19.4
85.02896	1.3
85.06529	3.1
91.05463	46.4
93.07029	48.2
95.04390	1.6
95.04950	17.4
95.08591	31.0
95.09196	1.7
96.87450	0.8
97.02875	0.9
97.06519	5.7
97.10151	2.6
99.04433	1.5
99.08072	2.3
103.05458	1.1
105.07011	40.8
106.07304	0.9
107.04925	11.5
107.08582	17.9
109.06498	30.2
109.10133	8.4
111.04433	4.8
111.08076	4.6
113.09612	1.4
115.05454	1.0
117.07009	11.2
119.08560	30.7
121.06499	4.8
121.10127	11.7
123.08063	9.7
123.11681	3.5
125.09589	2.2
128.06209	1.4
129.06990	10.2
131.08554	12.3
133.06494	1.8
133.10101	17.2
135.08061	4.3
135.11667	6.0
137.09595	3.6
141.06960	1.6
143.08545	6.5
145.06491	1.2
145.10107	13.3
147.08000	2.8
147.10567	1.9
147.11658	23.3
149.09586	8.4
149.13219	4.6
151.11157	2.2
155.08549	1.4
157.10098	3.4
158.10501	0.9
159.07924	1.0
159.11661	7.8
161.09624	3.0
161.13243	6.8
163.11134	6.9
163.14789	2.1
165.12721	3.5
169.10089	1.2
171.11673	13.6
173.09554	1.5
173.13249	3.0
174.48036	0.9
175.11143	2.5
177.12686	1.3
183.11620	1.7
187.14722	1.2
189.12668	5.3
191.10629	1.2
191.14226	1.3
193.12201	1.2
201.12814	1.2
207.13774	12.3
229.19501	2.8
239.17790	1.2
247.20595	5.0
257.18988	3.4
267.15964	1.3
275.20016	52.5
276.20444	1.2
281.17429	53.3
284.98700	1.0
293.21109	4.5
307.22589	4.8
349.23688	22.2
381.26312	9.8
429.29858	2.7
537.35504	2.2
555.36731	100.0
556.37329	4.6
568.08588	0.9
573.29681	1.3
573.37860	11.7
587.39264	26.3
595.72296	0.9
623.43250	1.0
785.48193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.2
63.30788	0.2
69.03395	0.5
69.68758	1.2
70.06571	0.8
78.04694	0.9
79.05465	1.0
81.03410	0.4
81.07045	0.3
83.06052	0.2
84.08113	0.3
85.02889	0.9
91.05472	1.2
91.64767	0.2
93.07022	0.4
95.04943	0.7
96.05718	0.2
97.02882	0.5
103.05458	0.5
105.03351	0.2
105.07008	1.1
106.04157	0.7
107.04929	2.1
109.02864	0.3
115.05448	0.4
119.04908	0.4
119.08488	0.2
121.06501	0.7
122.03614	0.2
123.04408	3.5
124.05192	1.5
125.05988	0.3
128.06195	0.2
129.07013	0.4
129.10237	0.2
131.04875	0.3
132.05640	0.2
133.06473	0.9
135.04323	0.3
137.05937	0.9
147.04385	0.2
147.08011	0.4
149.05945	0.7
151.03882	0.8
151.07521	0.4
152.04652	1.2
153.05490	0.2
153.35086	0.2
159.08009	0.2
161.05975	1.6
163.07576	0.4
166.06241	0.3
167.07013	100.0
168.07367	1.5
175.07542	1.3
177.05530	0.4
177.08998	0.2
179.06993	1.4
181.04948	0.2
181.08580	1.9
187.07570	0.9
189.09114	0.4
191.07040	0.8
193.08589	4.2
199.07520	0.4
205.08667	0.3
209.08064	0.2
211.09618	9.8
217.08591	0.2
223.07506	0.2
223.09563	0.4
235.09770	0.2
249.09012	0.5
264.82764	0.2
281.11801	0.5
285.03909	0.5
309.11285	0.5
321.11041	0.2
341.13812	2.3
353.13586	0.9
359.14767	0.5
371.14798	0.6
379.15353	0.3
414.27496	0.2
709.42249	0.2
764.62329	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	778.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
56.96502	0.1
63.02340	0.2
65.03927	0.9
65.98373	0.2
66.04703	0.3
67.05496	0.4
69.03410	0.4
69.07053	0.2
70.06565	0.4
70.71792	0.2
70.72141	0.5
78.04697	0.3
79.05483	1.3
81.03397	0.5
81.07040	0.5
83.35715	0.2
83.64368	0.2
85.02885	0.6
89.03867	0.2
91.05460	2.3
93.03397	0.8
93.07021	0.5
94.04169	2.4
94.07366	0.2
95.04956	1.1
97.02866	0.3
97.84756	0.1
99.73006	0.2
102.04568	0.2
103.05467	1.2
105.03384	0.2
105.04498	0.2
105.07013	0.7
106.04173	0.8
107.04942	3.6
109.06479	0.8
110.03656	0.3
111.04416	0.7
115.05436	1.3
117.07006	1.4
119.04950	0.3
119.08528	0.3
121.02850	0.3
121.06493	1.5
122.03629	6.0
123.02691	0.2
123.04420	0.5
124.05186	0.3
125.05969	1.2
127.84321	0.2
128.06207	0.5
129.06964	1.0
130.04134	0.2
131.04926	1.3
132.05701	0.5
133.06467	0.6
134.03671	0.3
135.04401	0.9
136.05217	0.3
137.05954	100.0
138.06288	1.7
139.03842	0.2
143.04898	0.5
144.05621	0.6
145.06480	2.7
146.03659	0.3
147.04401	0.6
147.08037	1.9
148.05193	0.4
149.05951	2.2
149.25357	0.2
151.02165	0.2
151.03902	0.7
151.07509	0.6
153.05447	1.0
153.09085	0.4
154.06155	0.2
155.04942	0.9
155.05997	0.3
156.05641	0.3
157.06427	1.0
158.03651	0.3
159.04381	0.3
159.08012	0.5
160.05190	0.8
161.05963	1.0
162.01343	1.0
163.02229	0.2
163.02528	0.2
163.03876	1.6
163.07487	0.4
165.05533	0.2
167.07021	5.6
171.04353	0.4
171.06563	0.4
172.05112	0.7
173.05957	1.3
173.44928	0.2
174.06802	0.4
175.03966	0.2
175.07515	2.7
175.08917	0.2
176.04681	0.4
177.05450	1.8
177.09088	0.2
179.01593	0.5
179.07030	0.5
181.03305	0.4
181.04938	7.6
181.08484	1.3
182.05315	0.2
183.04474	0.2
184.05241	0.2
185.05878	0.4
187.07494	1.6
188.08308	0.2
189.05437	0.2
189.09094	0.6
190.00900	0.9
190.06178	0.2
191.01561	0.2
191.06973	1.7
192.07822	0.4
193.08606	0.3
195.06516	0.8
200.04576	0.2
201.05418	3.0
201.09055	0.6
202.06097	0.4
203.06981	1.4
203.08557	0.4
205.06638	0.3
205.08559	0.5
206.07300	0.3
207.06618	0.4
207.08806	0.6
208.01869	1.0
209.08051	5.2
211.07574	0.2
213.05449	0.3
215.06895	0.9
217.06607	0.3
217.08542	1.8
219.06310	1.8
219.08136	0.6
220.07133	0.4
221.05963	0.3
221.09676	0.3
223.04202	12.4
231.08153	0.4
233.05884	0.3
233.08023	3.3
233.10202	0.2
234.06702	0.6
235.07425	0.5
235.09647	2.7
237.09081	0.4
238.09808	0.2
241.08554	0.2
245.05916	0.3
245.07999	0.9
246.06648	0.2
247.07539	0.5
248.08182	0.5
249.05519	0.3
249.09056	1.6
251.06877	0.4
251.09042	2.0
260.08337	0.3
261.05426	0.2
261.09140	0.4
262.06219	0.6
262.09933	0.2
263.06775	0.3
263.09100	2.4
264.07800	0.6
265.08536	0.8
266.09271	0.5
268.07321	0.2
275.07077	0.2
276.07727	0.4
277.05313	0.3
277.08563	1.5
278.09482	0.4
279.06726	0.3
279.10132	0.4
280.07755	0.2
280.10880	1.4
281.11697	0.5
284.10529	0.3
285.11261	0.2
290.05905	0.2
290.09177	0.2
291.10095	0.4
292.07349	1.0
292.10513	0.2
293.08023	0.6
294.08740	0.7
295.09576	0.3
295.13156	0.2
297.11298	0.2
299.09198	0.2
301.10806	0.2
303.04834	0.2
305.08173	0.8
306.08926	0.3
307.06271	0.3
307.09534	2.2
308.10333	0.3
309.07843	0.3
309.11139	1.4
310.11728	0.2
311.09180	0.3
311.12527	0.3
312.09033	2.1
313.10626	0.2
319.09650	0.3
321.11047	0.4
322.08316	0.4
323.09164	0.2
323.12616	0.3
324.10059	0.4
325.10748	0.3
325.14252	0.2
326.11398	0.3
330.10095	0.5
337.10703	2.3
337.14441	0.4
338.11334	0.3
339.12186	2.9
340.12750	0.2
341.13721	1.2
351.12317	0.6
353.13748	0.6
355.11734	0.3
355.15536	0.4
357.13293	0.3
369.13266	9.7
370.13583	0.4
371.14935	0.6
387.14328	32.3
388.14764	1.2
395.14847	0.6
396.76630	0.2
397.12723	1.3
425.15994	0.2
429.15375	4.4
430.15552	0.2
447.16376	0.4
519.19958	0.5
531.19971	0.8
549.21106	0.9
764.34021	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	778.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
63.90669	0.2
65.03918	1.0
66.04715	0.5
67.05483	0.4
69.03407	0.3
70.06573	0.5
70.21531	0.7
70.21944	0.5
72.08125	0.3
72.23196	0.2
75.04450	0.3
78.04682	0.4
79.05486	1.5
81.03397	0.7
81.07047	0.6
82.04196	0.2
84.04476	0.3
85.02880	0.7
86.09697	0.2
91.05467	2.3
93.03365	0.8
93.07020	0.3
94.04160	2.3
95.04958	1.6
97.02863	0.3
97.06505	0.4
103.05442	1.3
105.07009	0.8
106.04185	1.1
107.04932	3.7
109.02826	0.3
109.06491	1.0
111.04420	0.9
115.05458	1.3
117.03424	0.3
117.07005	0.8
119.04906	0.3
119.08533	0.5
121.02837	0.4
121.06495	1.7
122.03623	5.8
123.04369	0.8
124.05144	0.2
125.05997	1.3
128.06221	0.3
129.06978	0.9
131.04915	1.2
132.05679	0.5
133.06451	0.5
134.03662	0.2
135.04410	0.7
137.05952	100.0
138.06291	1.7
140.04622	0.2
142.02669	0.3
143.04913	0.7
144.05653	0.5
145.02905	0.2
145.06470	2.3
147.04384	0.5
147.08009	1.3
149.05965	2.0
151.02071	0.4
151.03885	1.1
151.07504	0.4
152.04668	0.2
153.05464	0.9
153.09068	0.6
155.04868	0.7
155.06012	0.3
156.05725	0.3
157.06461	0.9
158.03683	0.4
159.04309	0.3
159.07985	0.4
160.05174	0.9
161.05972	1.1
162.01280	1.1
163.02226	0.3
163.03879	1.4
163.07555	0.6
165.05482	0.3
167.04861	0.3
167.07016	6.9
171.04417	0.5
171.06523	0.4
172.05193	0.5
173.05980	0.9
174.06747	0.3
175.03992	0.2
175.07526	3.0
176.04584	0.4
177.05458	2.2
179.01622	0.6
179.06961	0.7
181.03302	0.5
181.04930	7.8
181.08496	1.4
182.05191	0.3
185.05872	0.4
187.07532	1.8
189.05386	0.4
189.09100	0.7
190.00818	1.0
191.06976	1.5
191.08453	0.3
192.06389	0.3
192.07889	0.5
193.08578	0.4
195.06502	0.7
195.08856	0.2
201.05434	3.0
201.09047	0.5
202.06114	0.3
202.07806	0.3
203.06993	1.4
203.08620	0.4
205.06599	0.5
205.08553	0.7
207.06529	0.4
207.08818	0.7
208.01849	0.6
209.08057	7.6
210.08585	0.2
211.07394	0.2
213.05565	0.3
213.08971	0.2
215.07016	0.8
217.06657	0.3
217.08578	2.0
219.06467	1.8
219.07965	0.3
221.09698	0.4
223.04196	13.9
224.04662	0.4
231.06090	0.3
231.08070	0.4
233.06004	0.3
233.08058	3.6
234.06705	0.9
235.07558	0.4
235.09570	2.5
237.09099	0.5
241.08575	0.4
245.05937	0.3
245.08092	1.0
247.07434	0.7
248.08359	0.7
249.08990	1.3
251.07013	0.5
251.09154	1.8
259.07516	0.3
262.06186	0.5
263.06818	0.6
263.09155	2.9
265.08475	1.1
266.09180	0.5
275.07162	0.3
276.07739	0.3
277.05316	0.3
277.08463	1.6
279.10202	0.4
280.10941	1.1
281.11533	0.6
290.09116	0.2
291.09943	0.3
292.07214	1.0
293.08044	0.6
294.08569	0.4
297.11237	0.3
299.09036	0.5
300.08844	0.2
305.08151	0.7
306.08633	0.3
307.09491	3.3
308.10159	0.3
309.11066	1.7
312.08908	2.5
313.10522	0.4
320.10236	0.4
321.11020	0.4
322.08371	0.4
323.09079	0.6
324.09903	0.3
325.10770	0.5
326.11423	0.5
327.12115	0.4
330.09921	0.6
337.10663	2.4
337.14310	0.3
339.12259	3.4
340.12714	0.3
341.13797	1.5
343.88449	0.2
351.12134	0.5
353.13831	1.1
355.11667	0.5
357.13120	0.5
369.13266	9.9
370.13547	0.4
371.14948	1.2
387.14325	31.7
388.14767	1.2
395.14886	0.7
397.12781	1.7
429.15414	6.1
430.15958	0.3
447.16528	0.6
519.20404	0.4
531.20074	0.6
549.20953	0.8
677.28906	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	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05500	5.2
57.03426	3.2
58.38615	0.5
61.02913	3.5
61.70121	0.7
62.88243	0.6
66.51354	0.5
67.05495	13.9
68.05816	1.2
69.03417	4.0
69.07051	4.4
70.13611	1.5
70.14020	2.2
71.04976	3.4
73.02911	3.9
79.05475	8.2
80.05814	0.7
81.03420	3.9
81.07044	15.5
82.07375	1.9
83.04974	2.3
83.08607	3.8
85.02898	4.0
85.06544	1.3
86.09650	0.8
91.03954	1.3
91.05469	8.5
93.07027	10.6
94.07362	1.3
95.04946	4.2
95.08594	8.1
96.08898	0.8
96.37989	0.6
97.02868	4.2
97.06523	2.1
97.10175	1.0
99.04458	1.3
101.02360	1.9
105.04484	0.7
105.07010	6.7
106.07365	1.2
107.04959	2.4
107.08572	7.6
108.08918	1.3
109.02865	0.7
109.06500	2.0
109.10165	4.3
110.10485	1.1
111.04426	0.7
111.08092	0.8
112.33230	0.6
117.07000	2.2
119.08566	5.7
120.08929	0.9
121.06517	1.1
121.10139	4.0
123.08068	0.7
123.11700	1.2
125.09603	1.5
126.09968	0.7
127.03910	2.1
129.07039	0.8
131.08580	3.2
133.10117	3.0
134.10481	1.1
135.11687	6.8
137.09605	1.7
143.08588	1.2
145.10068	4.0
146.10481	1.2
147.11638	3.3
148.12001	0.7
149.09631	2.6
149.13242	1.0
157.10143	1.7
159.11673	1.4
161.13324	1.1
163.11177	7.4
164.11481	1.2
165.12808	1.1
173.11818	0.6
173.13229	0.9
175.11230	0.6
181.12231	1.6
185.04179	1.1
187.11237	0.7
197.16882	0.6
211.13223	1.2
223.13297	0.9
224.82234	0.6
227.12762	3.8
243.08443	4.5
249.10980	7.4
255.15836	0.8
267.15894	0.8
268.16324	1.1
269.17520	0.8
271.95380	0.6
275.20126	2.8
276.20425	1.3
285.16943	1.8
286.17377	1.1
287.18304	1.7
293.21005	0.9
295.32779	0.7
301.09158	0.7
305.13687	2.2
333.20270	1.7
349.23819	1.6
350.24268	1.1
351.25131	0.8
389.22906	1.4
423.19827	1.2
467.18802	15.2
504.33841	1.1
521.34656	1.1
522.34955	2.0
530.35651	1.2
539.20807	1.3
544.37415	0.9
548.36877	1.5
551.28259	7.0
560.35931	0.9
561.37335	0.8
562.37323	1.8
579.38904	1.1
580.38934	1.7
649.31915	1.3
777.40179	100.0
778.40875	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	775.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05506	8.8
57.03421	2.6
57.07060	3.8
61.02917	10.8
62.74303	0.8
67.05496	16.1
69.03419	4.9
69.07066	8.8
69.81455	0.8
71.04991	2.0
71.08604	1.7
71.71705	1.1
73.02897	7.4
79.05479	8.6
81.03407	2.1
81.07044	14.3
83.04983	1.0
83.08586	3.0
85.02893	8.9
85.06531	1.6
85.10147	1.2
86.80711	0.8
91.03945	5.6
91.05464	9.2
93.07041	9.5
95.08612	10.8
97.02879	8.6
97.06471	1.2
97.10159	3.1
99.04440	1.0
101.02399	1.3
103.78834	0.8
105.07009	9.9
106.97720	0.9
107.08564	7.3
109.10151	4.6
111.08070	0.9
111.54504	0.9
117.06967	5.1
119.08559	9.9
121.10117	4.2
123.07998	1.1
123.11649	2.0
127.03876	1.1
128.06242	0.9
129.06970	3.8
131.08539	9.1
133.10136	6.0
133.10970	1.3
135.08092	1.3
135.11702	2.4
137.13260	0.8
141.06956	2.0
143.08536	4.9
145.10120	10.3
147.11653	4.0
149.13225	2.2
155.08496	2.4
157.10130	5.1
159.11710	5.8
161.13213	3.7
167.08591	1.5
169.10104	2.4
171.11664	3.6
173.13246	3.3
174.59468	0.9
175.14804	3.2
183.11687	2.8
185.13222	3.5
187.14790	3.8
189.16437	1.1
195.11763	1.2
197.13170	1.1
199.14778	2.5
201.16370	3.4
202.01549	0.8
209.13275	2.1
211.14799	1.6
213.16354	3.0
215.17932	0.9
223.14691	1.3
225.16260	1.5
227.17856	2.1
240.70984	0.9
241.19427	2.0
251.17929	1.2
256.39835	0.9
259.20691	1.4
267.20956	0.9
268.01889	1.0
387.70938	1.1
503.42606	1.9
521.43884	4.6
539.44427	3.4
543.40295	1.4
595.47034	4.1
611.46594	2.4
613.48199	100.0
614.48474	6.1
655.47363	1.1
721.49243	0.9
757.52100	2.1
775.40918	1.4
775.53510	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	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05503	23.0
57.03434	12.4
57.07070	2.8
59.04996	2.2
61.02904	2.9
65.03912	3.8
67.05142	3.8
67.05493	75.7
67.63763	2.1
69.03425	3.8
69.07056	19.5
69.99301	12.0
71.04981	33.3
79.05482	50.8
81.03390	4.0
81.07044	100.0
82.07374	2.3
83.04967	6.5
83.08606	16.9
85.02895	3.3
85.06526	10.0
91.04926	4.1
91.05468	71.2
93.07030	62.5
95.04936	9.0
95.07990	3.1
95.08585	30.0
96.08958	2.3
97.06485	6.6
97.10141	5.4
98.21428	4.0
99.08048	4.7
101.38631	1.7
103.05441	2.6
105.07015	57.9
107.04913	2.5
107.08578	32.7
109.06500	6.5
109.10123	15.5
111.08041	3.4
117.06996	20.1
119.08569	46.6
121.06503	2.1
121.10121	18.9
123.08099	2.8
123.11668	12.4
125.09611	6.5
128.06175	2.1
129.06995	9.1
131.08568	26.1
133.10106	41.5
135.08052	2.9
135.11644	12.8
137.09607	2.0
139.11105	3.3
141.07005	2.2
143.08542	12.5
145.10097	19.2
145.71809	1.8
147.11649	26.3
149.09616	4.3
149.13248	11.6
151.11133	7.2
155.08548	4.2
157.10106	11.1
159.11674	23.4
161.09599	2.9
161.13206	11.8
163.11145	2.2
163.14767	2.4
165.12666	2.6
169.10197	2.4
169.12157	2.2
171.11664	12.0
173.13226	12.8
175.11215	2.3
175.14810	5.5
177.12675	3.0
183.11653	6.4
183.13797	3.8
185.13274	8.5
187.13263	5.3
187.14818	2.5
195.13719	4.8
197.13188	4.2
199.14787	5.5
201.14751	3.7
211.14865	2.2
239.17824	2.8
241.19562	6.3
243.15878	5.3
257.17154	3.3
259.20566	28.8
269.17273	4.7
275.19995	6.5
282.67014	1.9
299.18723	2.1
301.20004	19.9
308.37463	1.9
315.23041	8.3
333.24191	27.0
335.25726	2.7
349.23828	2.1
409.30887	5.6
435.32669	4.6
453.33566	2.5
483.34488	6.0
501.35690	68.4
502.35791	4.5
503.37195	3.6
509.35764	3.7
527.37207	43.8
528.37537	3.0
533.38452	5.9
545.37799	5.4
559.39807	23.0
577.39545	3.0
756.91302	2.4
774.41357	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	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.9
55.05505	28.5
57.03426	16.2
57.07070	2.1
59.04997	1.6
61.02927	3.0
65.03934	2.4
65.90824	1.3
67.05496	60.2
69.03102	1.4
69.03408	8.6
69.07056	27.4
69.41049	2.9
69.41457	11.6
70.15099	1.2
71.01331	1.4
71.04650	1.5
71.04973	7.2
74.73902	1.3
78.69064	1.3
79.05019	2.5
79.05481	47.0
80.09796	1.2
81.02933	3.1
81.03407	49.3
81.03881	3.1
81.07047	100.0
83.04965	15.8
83.08604	25.1
85.02895	23.2
85.06535	5.2
91.03924	1.5
91.05468	52.4
93.07030	45.0
95.04952	34.3
95.08593	31.4
97.02892	4.8
97.06516	19.1
97.10145	8.3
97.76223	1.3
99.04437	2.5
99.08100	3.7
105.07017	44.7
105.07721	2.6
107.04942	11.9
107.08576	28.5
109.06503	23.2
109.10142	14.9
110.10445	1.6
111.04428	3.3
111.08060	11.8
113.06007	2.3
115.05473	3.2
115.07549	3.2
117.07018	11.1
119.08568	33.2
121.06490	6.7
121.10123	21.4
123.08046	8.6
123.11665	6.6
125.09636	7.0
127.03883	1.7
127.07549	1.9
128.06203	2.3
129.06976	10.6
129.16318	1.4
131.08549	22.3
133.06479	3.9
133.10106	22.8
133.11028	2.5
135.08035	6.1
135.11668	9.5
137.09602	4.6
139.11214	1.3
142.07779	3.5
143.08533	5.1
145.06427	1.6
145.10103	10.2
147.08046	6.1
147.11664	26.5
149.09584	11.3
149.13228	10.3
151.11205	4.5
155.08464	1.7
157.10085	15.1
159.08095	1.9
159.11661	11.1
161.09659	2.7
161.13318	2.3
163.11169	11.8
165.12721	6.5
167.08516	2.2
169.10129	3.0
171.11697	3.4
173.13268	3.8
175.11143	13.5
177.12738	4.8
183.11723	3.2
185.13344	1.5
187.11119	2.3
189.11229	2.4
193.10522	1.0
193.12206	33.6
195.13762	3.4
211.13263	36.9
211.15114	2.8
217.15878	1.7
223.13228	3.8
227.12691	4.0
229.19504	2.8
247.20612	3.4
249.14853	1.5
257.19025	5.5
267.15884	30.4
269.17416	18.6
273.18494	5.4
275.20053	50.7
276.20288	2.0
285.16913	72.2
286.17285	3.1
291.19528	5.3
293.03339	1.4
293.21085	12.1
347.22104	2.7
349.23721	30.2
365.23099	3.1
367.24713	28.2
367.29233	2.2
439.27014	1.4
440.80096	1.6
449.29785	2.8
461.28867	1.7
463.30576	6.3
467.31494	3.0
485.32562	3.4
500.21725	1.6
523.33777	2.0
541.35138	34.9
542.35565	2.8
559.36212	62.6
560.36322	4.2
577.37256	43.7
578.37439	2.5
733.01849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01245	1.2
54.16248	1.2
55.01852	3.3
57.03419	2.4
61.02921	2.3
69.03419	7.7
70.06575	5.3
71.04964	1.4
71.70505	1.2
73.02897	2.7
81.03393	4.1
82.19255	1.1
84.08121	2.2
85.02891	13.2
86.09681	3.0
88.41621	1.3
91.05450	2.9
95.04987	1.1
97.02876	6.9
99.04443	1.4
103.05436	2.1
109.02853	4.0
115.05421	2.5
117.05700	2.2
117.07006	3.7
118.06521	18.2
121.02762	1.3
124.03909	1.7
127.03902	3.0
130.06511	98.0
131.07048	1.4
132.08087	3.8
133.79366	1.3
137.05965	2.5
143.07315	6.1
144.08069	81.3
145.06474	2.6
151.03894	1.3
153.01816	2.5
154.06482	4.5
156.08063	3.6
160.07573	18.8
160.57060	1.3
167.07036	4.0
168.07982	2.3
172.07552	100.0
173.07916	1.3
174.09102	4.4
186.09073	1.6
190.08603	91.1
202.08678	1.6
204.08127	1.2
209.08118	1.2
211.03836	1.5
232.09618	4.2
241.04881	2.0
255.06642	1.5
257.04330	2.5
258.05151	1.5
259.02319	4.4
269.04401	4.9
270.05240	2.3
271.05920	4.2
273.03873	6.2
281.04520	7.8
282.05151	2.1
283.05969	7.4
284.03104	15.2
285.03915	22.5
286.04578	3.4
287.05521	2.9
295.05951	3.0
297.03918	71.7
297.07242	4.5
298.04553	9.6
299.02203	2.5
299.05457	26.8
300.06100	1.5
303.04996	4.8
307.06009	3.9
309.03937	11.1
310.04660	4.7
311.05460	20.8
312.06284	2.0
313.06906	2.3
315.04907	16.7
319.06046	2.9
321.03799	2.0
322.12747	2.8
323.05408	7.1
324.06329	1.8
325.06931	12.2
327.04935	77.6
329.06628	3.6
333.06241	1.5
334.12796	1.8
335.05438	2.9
337.07104	7.3
339.04971	14.4
341.06522	10.1
345.05923	13.5
347.05441	2.4
351.04956	6.3
353.06564	11.5
357.06015	29.2
359.07648	1.4
363.04950	2.3
365.06396	7.8
369.05957	14.3
371.07452	1.9
375.06839	14.5
377.06641	2.1
381.06009	22.4
383.07251	1.8
393.05994	14.9
396.08765	2.9
398.10233	1.4
399.07083	30.4
405.08441	7.0
411.06992	12.6
412.08105	2.4
413.08771	1.9
414.09720	7.5
423.06946	8.6
424.07944	2.2
426.09616	12.0
429.08063	12.7
440.10980	2.0
441.08130	14.1
444.10599	3.4
447.09155	21.8
452.11148	2.3
456.10657	3.0
459.09277	16.2
468.10574	4.6
474.11444	3.4
477.10187	20.9
480.10730	2.7
492.11328	2.6
498.11511	2.9
510.11575	3.7
528.12683	3.3
540.12634	1.9
546.14117	5.7
558.13879	2.2
594.15674	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	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05502	12.3
57.03423	5.6
57.07059	3.7
58.74910	0.5
61.02612	0.8
61.02916	14.6
62.06070	1.6
65.03935	1.4
67.05493	24.2
69.03416	7.9
69.07059	9.9
70.31207	2.7
71.01337	1.5
71.04980	2.2
71.08614	1.2
73.02906	8.0
79.05478	18.7
81.03398	9.0
81.07041	27.3
83.04964	1.7
83.08608	7.8
85.02885	12.6
85.06516	1.6
85.10134	0.8
87.04490	0.7
91.03943	8.6
91.05464	14.0
93.07024	17.9
94.07364	0.6
95.04967	4.2
95.08588	21.3
96.08961	0.8
97.02870	10.0
97.06525	2.3
97.10162	3.9
98.20760	1.0
99.04433	1.0
99.08080	0.7
101.02368	2.6
103.03948	0.7
103.05423	0.9
105.07015	13.7
107.04950	1.5
107.08572	12.2
109.02849	1.4
109.06496	1.8
109.10139	8.2
111.08080	2.2
111.11763	0.7
115.03948	1.0
115.05478	1.0
117.06998	8.4
119.08562	13.2
120.08900	0.5
121.06482	1.1
121.10117	8.2
123.08080	1.3
123.11688	3.1
125.09609	1.3
127.03902	2.1
128.06187	2.7
129.05450	1.2
129.06993	8.5
130.07823	0.7
131.08545	13.6
133.06479	0.9
133.10103	8.4
135.08057	1.2
135.11665	4.5
137.09636	1.2
139.11259	0.7
141.06981	3.9
141.09109	0.6
142.07776	2.0
143.08540	11.3
144.09128	0.6
145.04878	0.7
145.10094	12.2
147.08066	1.0
147.11667	6.8
148.12056	0.7
149.09636	0.6
149.13252	2.2
151.07582	0.7
151.11203	1.1
151.14799	0.5
153.06927	0.9
155.08531	7.6
156.09277	1.1
157.10094	12.5
159.11652	9.4
161.09549	0.6
161.13243	2.9
163.11194	0.9
163.14792	1.5
165.12775	0.8
165.16319	0.8
166.07741	0.7
167.08545	2.6
169.10091	9.4
171.11652	8.5
173.09610	0.7
173.13211	6.3
173.14417	0.7
175.11409	0.5
175.14862	1.8
179.08543	1.8
181.10109	3.8
182.10999	0.8
183.11684	7.5
185.09641	0.9
185.13242	6.6
187.14806	4.3
189.12633	0.7
189.16414	1.7
191.14301	0.8
191.17918	0.7
193.10088	1.1
193.12282	1.1
195.11664	3.6
197.13210	5.0
199.14807	5.5
201.16420	2.4
203.17940	1.0
207.11694	1.8
209.13261	2.5
211.14830	4.2
213.16437	3.5
215.17984	2.3
221.13315	1.2
223.14827	2.1
225.16376	3.5
227.18036	2.7
229.19508	1.8
235.14850	1.4
237.16313	2.0
239.17929	1.9
241.19543	1.9
243.21068	1.4
249.16499	1.1
251.17917	1.6
253.19485	1.8
255.21024	1.5
259.20392	0.8
263.17780	0.8
265.19556	0.9
267.15799	3.4
267.21201	0.7
271.20682	0.6
275.20056	1.8
279.21094	1.2
281.19083	0.7
281.22589	1.1
283.20560	0.9
285.21915	0.6
297.21945	0.7
299.23697	0.5
309.22147	0.8
311.20325	0.6
311.23672	0.8
315.23080	0.6
323.23749	1.4
324.28781	0.8
325.21484	0.7
325.25244	0.8
325.28931	0.7
327.22906	0.8
335.25735	4.1
339.22916	0.7
339.26962	0.9
341.24857	0.9
353.28275	0.9
355.26175	0.6
357.27640	0.6
367.30072	0.8
381.31775	0.9
435.32343	0.9
449.34073	1.0
453.33218	0.8
463.35938	0.6
501.41183	1.4
515.37830	0.9
517.40454	0.8
519.41815	6.3
527.37604	2.3
529.38898	1.0
537.43042	3.0
541.38885	1.6
543.40265	1.0
545.38464	1.4
555.43634	0.7
593.45728	6.5
609.45038	2.3
611.46582	100.0
612.47235	6.6
623.46289	2.1
635.46552	0.9
653.47559	2.0
677.48145	0.7
701.47430	0.8
737.50006	1.2
755.50604	2.2
773.51837	15.8
774.52490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.1
55.05507	22.7
57.03425	14.7
57.07065	5.5
58.75289	1.8
59.56865	1.8
61.02917	12.8
65.03913	4.3
67.05496	70.8
67.33025	1.7
69.03416	8.1
69.07055	22.7
71.04987	3.6
73.02917	9.0
79.05482	58.7
79.92174	1.7
81.03408	6.7
81.07043	68.9
83.04975	4.5
83.08625	13.2
85.02885	12.3
85.06535	4.5
91.03931	6.7
91.05466	54.3
93.07034	71.6
94.79379	1.8
95.04948	8.1
95.08592	55.5
97.02893	13.3
97.06500	4.2
97.10174	5.1
98.20661	4.3
99.08040	2.7
101.02347	1.9
103.04004	1.8
105.07016	52.6
107.08573	32.9
109.06490	4.4
109.10126	23.5
111.08073	4.3
111.11730	1.7
115.05444	3.0
117.06998	16.9
119.08568	46.4
121.10131	28.1
123.08067	3.0
123.11710	9.1
125.09562	1.9
127.03878	2.5
129.06967	15.2
131.08551	33.9
133.06407	2.1
133.10117	38.0
135.08084	2.7
135.11682	21.2
137.09506	2.2
137.13249	2.5
141.07040	4.5
142.07674	2.1
143.08563	14.3
145.10107	33.2
147.11658	31.3
149.09586	2.7
149.13217	12.6
155.08511	6.1
157.10121	11.4
159.11679	24.0
161.13260	24.7
163.14842	4.8
167.08588	2.1
169.10098	8.7
171.07990	2.7
171.11662	15.9
173.13246	17.0
175.14745	11.9
177.16383	2.2
181.10114	4.9
183.11664	8.6
185.13266	13.2
187.14809	8.5
187.55345	2.1
195.11613	4.3
197.13234	6.5
199.14799	8.4
201.16336	4.6
203.18127	2.3
211.14795	2.7
213.16368	5.0
221.13274	2.0
225.16379	3.8
231.21001	3.6
237.16414	2.1
239.17891	2.0
241.19504	21.1
243.21114	2.3
257.19040	5.4
259.20535	37.8
261.22101	9.3
271.20657	1.8
273.21909	2.6
287.20056	2.9
287.23593	1.7
289.21176	1.7
301.21729	2.3
315.23282	2.3
333.24225	32.0
335.25751	71.3
337.27246	3.4
367.22366	2.9
376.17575	1.7
385.23544	2.5
403.24841	2.2
501.41269	2.7
519.41962	4.4
537.42987	2.0
541.38623	2.3
593.44769	9.3
609.44910	3.6
611.46588	100.0
612.46667	3.2
701.46777	4.3
719.47821	4.7
737.49841	2.3
755.49725	4.0
773.51495	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.1
55.05507	27.9
57.03438	13.2
57.07059	6.0
61.02910	18.5
63.37980	1.7
65.03928	6.5
67.05141	4.3
67.05495	82.7
69.03407	13.9
69.07056	25.4
70.34861	7.5
71.01336	2.4
71.04977	5.4
73.02892	7.6
79.05482	65.5
81.03394	6.7
81.07042	81.4
83.04958	5.3
83.08598	14.0
85.02892	13.5
85.06538	4.0
91.03928	8.2
91.05465	63.1
93.07030	76.4
95.04963	9.1
95.08000	3.9
95.08589	60.3
96.02041	1.7
97.02882	12.7
97.06496	5.9
97.10143	5.4
98.74738	1.9
99.04410	3.5
99.08073	4.6
103.05423	2.0
105.07012	60.0
105.07716	3.0
107.04925	3.0
107.08578	43.2
109.06496	5.4
109.10136	26.2
111.04419	2.1
111.08067	3.4
115.05513	2.0
117.07004	22.4
119.07733	3.2
119.08560	50.0
121.06487	3.6
121.10137	35.6
123.08020	5.3
123.11683	7.9
125.09640	3.2
127.03901	3.1
128.06198	4.1
129.07005	11.8
131.08540	36.9
133.10104	39.5
135.07999	3.4
135.11673	26.4
141.07001	6.1
143.08542	15.7
145.06459	2.0
145.10106	27.7
147.07983	2.7
147.11674	31.0
149.09570	4.1
149.13263	11.8
155.08510	6.2
157.10089	17.3
159.11678	24.9
161.13234	27.9
163.11160	3.1
163.14806	6.2
167.08557	4.6
169.10028	8.7
171.11665	19.9
173.13222	20.4
175.11229	2.1
175.14792	16.1
177.16344	2.8
181.10089	4.1
183.11685	8.7
185.13240	18.4
187.14807	10.0
189.12816	2.1
189.16365	3.8
190.53488	1.9
197.13174	6.1
199.14851	8.7
201.16339	2.4
203.14171	2.1
203.17981	2.1
209.13083	2.5
211.14847	3.7
213.16348	4.8
215.17854	2.6
217.19514	2.7
227.17891	2.2
229.19443	1.9
231.21011	4.3
239.17937	5.4
241.19498	24.9
243.20987	2.8
257.18961	10.4
259.20523	44.7
261.22156	7.4
268.93771	2.1
271.20514	3.2
273.22168	2.6
275.20090	3.1
287.20047	2.1
289.21326	1.8
293.21033	2.8
301.21582	4.5
315.23178	2.8
331.22455	2.1
333.24167	30.5
335.21820	4.3
335.25781	75.1
337.27429	3.9
367.22562	4.4
367.29904	2.8
385.23468	3.1
393.26288	2.2
459.26959	3.6
519.41718	6.4
529.39014	2.1
537.42511	2.7
541.38861	2.5
593.45880	10.5
609.44757	5.7
611.46613	100.0
612.46704	6.8
677.47040	2.6
701.47235	4.9
719.47998	2.5
737.49530	3.6
755.50848	4.4
773.52179	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	773.518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88801	0.6
55.01851	1.7
55.05508	10.2
57.03429	5.0
57.07063	1.7
61.02921	15.0
64.19891	0.7
65.03934	1.3
66.32565	0.6
67.05495	19.9
69.03423	8.4
69.07061	9.3
71.01349	1.0
71.04983	2.6
71.08619	1.2
71.62791	1.0
73.02896	7.8
79.05024	0.7
79.05483	12.3
80.05781	0.8
81.03408	5.1
81.07046	18.5
82.07361	0.9
83.04974	1.6
83.08603	4.8
85.02894	13.4
85.06521	0.7
91.03945	6.5
91.05463	12.8
92.05804	0.8
93.07034	13.0
95.04967	1.9
95.08591	17.0
97.02319	1.1
97.02882	11.1
97.06546	1.9
97.10165	2.3
99.08085	0.9
101.02377	1.2
105.07017	11.9
107.08584	7.8
109.02851	1.0
109.06535	1.2
109.10146	5.9
111.08090	1.1
113.78006	0.6
115.05428	1.1
117.06985	7.3
119.08562	10.8
121.10136	5.8
123.07994	0.6
123.11654	1.3
125.09578	1.6
127.03898	2.6
128.06155	1.6
129.06987	6.8
130.07704	0.8
131.08559	13.3
133.10132	7.3
135.08022	0.8
135.11713	3.1
137.13222	0.8
141.06998	3.1
142.07765	1.8
143.08534	9.2
145.10100	11.5
146.10431	0.7
147.11673	5.4
149.13287	2.0
154.07753	0.6
155.08525	6.1
156.09364	1.1
157.10098	8.6
159.11665	7.6
161.13235	2.9
163.11183	0.7
163.14816	0.9
167.08569	2.0
168.09355	1.2
169.10109	6.7
170.10872	0.6
171.11670	8.2
173.13251	5.7
175.14819	1.8
177.16359	1.0
181.10120	3.7
183.11659	6.0
185.13260	5.1
187.14769	3.4
189.16380	1.2
189.26294	0.7
193.10072	1.2
195.11688	3.4
197.13216	5.3
199.14830	3.3
200.15225	0.6
201.16368	2.8
207.11748	1.0
209.13277	2.6
211.14844	3.8
213.16377	2.9
215.18024	2.1
221.13321	0.9
223.14870	1.7
225.16452	2.7
227.17917	2.3
229.19487	1.5
235.14960	1.1
237.16403	1.5
239.17940	2.3
241.19502	1.3
243.21051	1.3
249.16640	0.8
251.18001	0.8
253.19557	1.7
255.21083	0.9
259.20532	0.8
265.19296	0.9
267.21228	1.0
269.22769	0.9
275.20163	1.3
297.22009	0.9
311.23724	1.0
325.25162	1.2
339.26886	1.4
341.24692	0.8
353.28497	1.0
367.30228	1.0
381.27716	0.8
435.32828	1.1
449.33936	1.0
489.36432	0.8
501.41464	1.6
519.41913	5.8
523.37494	0.8
527.37616	1.8
537.42932	3.2
538.64764	0.6
541.38538	0.9
543.40515	0.8
555.43811	0.7
575.44562	0.8
593.45245	5.6
609.45026	1.6
611.46606	100.0
612.47021	9.1
613.97473	0.7
623.46661	1.2
635.46368	1.1
653.47839	1.7
737.49347	0.9
755.50354	0.8
765.74274	0.8
773.51801	16.5
774.51941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.2
55.05505	16.9
57.03428	6.9
61.02901	1.1
65.03931	1.9
67.05496	38.3
69.03417	4.2
69.07058	21.3
69.61518	3.0
69.61944	5.9
71.04982	4.6
73.02905	1.7
79.05024	2.2
79.05483	43.4
80.05785	1.1
81.03401	7.1
81.07044	41.7
83.04967	8.0
83.08611	15.5
85.02893	3.2
85.06523	3.0
91.05466	26.4
93.07034	54.7
95.04945	12.0
95.08594	43.1
95.51677	1.1
97.02884	4.9
97.06517	12.4
97.10146	9.2
99.04443	3.5
99.08069	2.1
103.05466	1.1
105.07014	24.2
107.04946	11.6
107.08582	40.1
109.06502	4.5
109.10137	10.0
111.04433	2.9
111.08066	4.1
113.71274	1.2
115.05377	1.6
117.07006	16.7
119.08564	19.1
121.06486	6.8
121.10135	18.5
123.08053	2.2
123.11739	1.8
125.05978	2.8
125.09618	8.0
127.03904	2.4
128.06152	1.6
129.07004	3.8
131.04939	1.1
131.08557	11.2
133.06485	1.4
133.10115	13.1
135.08064	5.3
135.11676	51.3
137.09630	2.5
139.07468	2.2
139.73793	1.1
141.06920	1.7
143.08611	2.2
145.10110	35.2
147.07991	1.7
147.11717	6.3
149.09590	8.2
149.13248	4.1
155.08516	2.0
157.10081	3.1
159.11652	7.8
161.09570	1.8
161.13266	1.8
163.11159	64.4
164.11496	1.4
171.11732	1.8
173.09682	1.5
173.13239	2.8
177.12767	2.1
179.14264	2.7
181.12219	12.0
183.11600	1.5
185.13129	1.0
187.11206	1.6
189.11169	4.1
195.13844	2.0
209.11646	3.4
227.12750	100.0
228.13115	1.3
229.19379	1.8
239.17941	2.8
255.15936	3.1
257.18997	7.2
259.20486	1.2
267.15961	1.4
269.17429	8.5
275.20029	24.5
276.20679	1.7
283.15372	56.1
284.15714	2.3
285.17035	2.0
291.19476	3.5
293.21094	3.5
296.85242	1.2
301.16675	1.4
331.22708	4.0
349.23666	29.3
365.23151	2.0
367.24875	1.6
437.25348	1.7
453.24698	4.4
461.28864	2.0
463.26651	9.4
477.21875	2.2
477.28455	36.1
494.30594	1.4
539.33868	1.8
557.34723	46.0
558.34619	2.5
575.35608	10.5
721.14014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.1
55.05234	1.3
55.05502	20.6
57.03429	10.4
57.07069	2.7
61.02921	1.5
65.03927	1.9
67.05493	43.7
68.05821	1.2
69.03406	4.4
69.07056	22.3
69.41582	12.2
71.04984	6.2
73.02893	1.6
79.05478	44.4
81.03406	10.0
81.07043	79.3
82.07359	1.3
83.04963	7.3
83.08606	16.4
85.02891	1.5
85.06535	2.2
91.05464	33.9
93.07028	57.6
95.04954	16.7
95.08590	55.6
97.02869	6.5
97.06514	12.3
97.10145	3.6
98.20639	2.2
99.04427	4.9
99.08076	2.2
103.05434	1.5
104.70578	1.1
105.07010	33.3
107.04942	17.8
107.08574	39.3
109.06507	18.6
109.10149	12.0
111.04431	3.1
111.08084	4.9
113.05990	2.1
117.06991	17.2
119.08559	31.3
121.06506	8.4
121.10131	24.2
123.08068	6.2
123.11697	5.5
125.05968	3.9
125.09598	3.2
127.07493	1.8
128.06213	1.3
129.06995	3.2
130.07787	1.7
131.08563	9.4
133.06448	1.5
133.10104	17.4
135.08081	7.2
135.11665	63.9
137.09616	2.5
139.07544	1.6
143.08546	2.9
145.06535	1.8
145.10103	36.7
147.08073	1.8
147.11664	15.3
149.09587	8.7
149.13210	4.7
151.11119	2.5
155.08582	2.6
157.10120	4.0
159.07997	1.6
159.11668	4.7
161.09596	2.3
161.13235	3.0
163.11156	77.8
164.11594	1.4
165.12755	3.7
168.08318	1.1
169.10132	1.4
171.11682	2.0
173.09586	2.2
173.13222	4.0
175.11078	5.0
175.14763	1.5
177.12723	1.9
181.12218	12.4
185.13231	2.3
187.14763	1.3
191.10744	1.4
193.12239	3.2
209.11549	1.9
211.13223	3.2
218.11740	2.0
227.12741	75.0
228.13206	1.8
229.19429	1.5
247.20563	3.3
253.14375	3.7
257.19009	3.4
267.15875	2.6
273.18375	2.5
275.20026	42.8
276.20389	1.3
283.15359	100.0
284.15771	3.9
285.16949	3.6
291.19614	4.0
293.21069	8.4
306.07190	1.1
334.45609	1.0
349.23685	36.8
365.23380	1.9
367.24799	35.8
368.24957	1.2
463.27200	1.1
477.27539	1.4
493.27939	1.1
539.33771	1.7
557.34650	74.2
558.34778	4.4
575.35712	79.1
576.36548	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	772.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55965	0.8
55.01859	10.4
55.05236	1.6
55.05498	25.1
57.03420	11.3
57.07055	1.6
61.02898	1.6
65.03915	3.4
65.44876	0.8
67.05491	47.4
69.03416	4.1
69.06683	1.5
69.07052	27.4
69.71518	1.9
69.71931	4.7
71.04963	5.8
71.08618	1.1
73.02895	1.8
76.15857	0.8
77.03904	1.5
79.05476	58.9
81.03408	7.9
81.07037	57.0
82.07401	1.0
83.04959	9.3
83.08604	16.8
85.02865	3.0
85.06517	3.0
91.05455	31.4
93.07023	65.0
94.07355	1.7
95.04948	15.7
95.08585	53.0
97.02871	6.7
97.06509	15.4
97.10152	9.8
98.21458	1.6
99.04440	4.5
99.08090	1.0
103.05434	2.0
105.07010	33.6
105.07716	2.2
106.27050	1.1
107.04930	16.6
107.08571	47.4
108.87498	0.8
109.02807	1.4
109.06504	7.1
109.10124	10.3
111.04408	3.2
111.08064	4.2
113.09618	1.5
115.05398	2.0
116.06191	1.2
117.06987	19.5
119.08550	25.2
119.09402	1.3
121.06462	11.6
121.10121	20.7
123.08037	3.2
123.11687	1.7
125.05960	3.2
125.09616	8.2
127.03929	1.7
127.07631	0.9
128.06157	0.9
129.06976	4.2
130.07770	2.5
131.08537	14.5
133.06458	1.6
133.09164	1.4
133.10107	16.5
135.08026	6.7
135.11664	61.7
136.11977	2.1
139.07520	2.0
141.06932	1.0
143.08551	4.2
145.06404	2.3
145.10088	43.5
145.59171	1.0
146.10329	0.9
147.07982	2.2
147.11639	8.2
149.09590	10.7
149.13255	4.1
151.11165	1.9
151.40193	0.9
153.09135	1.1
153.12793	2.1
155.08508	2.2
157.10068	4.0
159.08058	1.1
159.11653	9.5
161.09616	1.4
161.13239	3.6
163.11147	69.5
164.11514	1.4
165.12715	0.9
169.10048	2.0
171.10188	1.4
171.11623	2.8
173.09537	1.6
173.13203	4.3
175.11166	1.4
177.12717	2.4
179.14253	2.1
181.12198	10.9
185.13194	1.0
187.11076	1.3
189.11153	4.6
189.12627	1.1
191.10620	1.3
193.12108	1.1
195.13701	2.1
197.13222	2.1
209.11627	2.8
227.12732	100.0
228.13176	1.6
229.14272	1.7
229.19493	1.3
239.17874	3.1
247.20454	1.1
255.15886	5.4
257.18988	8.6
259.20517	1.0
267.15903	2.8
269.17401	11.9
273.18478	1.1
275.19998	27.0
275.23001	1.3
283.15341	57.2
284.15726	1.5
285.17020	1.1
291.19394	4.5
293.21039	3.3
313.21716	1.0
331.22534	3.7
349.23663	32.5
350.24344	1.0
365.23138	1.7
367.24670	2.0
413.21347	1.1
437.25323	2.5
453.24509	3.7
461.28961	2.0
463.26834	12.5
477.28360	46.4
478.28296	1.8
517.31561	1.0
523.38049	0.9
539.33447	2.0
557.34619	39.7
558.34943	2.4
575.35767	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.7
55.05503	21.3
57.03419	5.7
61.02909	4.0
65.03935	2.6
67.05494	33.7
69.03413	4.8
69.07052	14.8
70.05782	3.6
70.06194	3.6
70.06606	2.4
71.04962	3.5
77.03938	1.1
79.05484	30.0
81.03401	10.6
81.07043	43.6
83.04977	6.8
83.08611	10.7
85.02882	4.3
85.06522	3.5
91.05464	28.3
93.07027	26.3
95.04955	19.3
95.08599	16.2
97.02869	4.4
97.06488	5.9
97.10157	11.2
99.08084	3.0
103.05460	1.3
105.07011	23.5
107.04919	9.3
107.08583	20.0
109.02895	1.8
109.06495	11.5
109.10133	13.0
111.04411	4.6
111.08076	2.5
112.19369	1.2
115.05426	1.3
117.07008	12.4
117.70403	1.1
119.04937	1.6
119.08556	16.2
121.02892	1.6
121.06494	9.9
121.10146	11.0
123.04336	1.8
123.08018	5.1
123.11664	1.8
125.09615	11.1
129.06972	9.2
131.04936	2.3
131.08565	14.6
133.06476	6.2
133.10107	18.2
135.04393	1.5
135.08035	7.0
135.11707	8.1
137.05911	1.6
137.09598	2.6
141.06920	3.3
143.08551	6.6
145.06467	8.0
145.10085	13.5
147.08020	6.4
147.11658	6.1
149.05989	2.9
149.09576	5.8
149.13217	2.8
151.11177	5.3
153.09059	2.8
153.12756	1.6
155.08492	4.9
157.06490	2.0
157.10110	6.0
159.08015	4.0
159.11678	4.3
161.05991	2.4
161.09587	3.4
161.13220	3.3
163.11151	9.8
165.07004	1.4
169.10078	4.3
171.08047	2.4
171.11659	5.6
173.09592	4.5
173.13200	3.4
175.11163	1.4
177.12767	3.4
181.10136	2.4
181.12169	1.6
183.08032	1.5
183.11742	2.4
185.09581	1.3
185.13188	4.0
187.11121	2.9
187.14705	1.3
189.09290	1.9
189.11156	5.4
189.12683	2.8
191.10545	3.0
193.10568	1.4
193.12234	4.4
197.09573	1.8
197.13219	2.2
199.11162	1.9
201.12694	2.1
203.14265	3.7
205.12189	2.1
207.11737	1.6
207.13649	2.6
209.11757	1.7
211.11140	2.5
213.12816	2.4
215.14281	2.3
217.15697	1.5
227.12761	5.0
233.15361	2.4
253.15727	1.5
255.13820	1.6
257.18958	1.5
267.15985	1.6
273.18472	2.6
275.20059	7.5
281.31403	1.3
283.15405	6.5
291.19452	2.3
293.21069	1.7
313.21628	4.3
315.19592	6.9
331.22546	1.6
347.21872	1.7
349.23575	3.7
355.22650	4.7
357.24051	3.8
367.22525	5.9
370.49844	1.6
385.23691	18.3
403.24832	2.9
429.26309	6.0
431.28110	2.2
447.27380	72.2
448.27808	3.9
459.27319	41.6
460.27515	2.5
465.30157	11.9
477.28378	20.5
483.31122	18.5
501.32086	8.5
539.33679	28.1
557.34625	100.0
558.35168	6.3
575.35712	32.2
593.36176	1.6
750.82294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	1.8
55.02066	0.7
55.05443	11.4
55.05728	1.2
57.03364	5.3
57.07003	1.6
57.07258	0.4
59.04950	0.4
61.02853	15.8
61.03198	1.4
65.03864	1.7
67.05427	22.3
67.05827	1.6
68.83547	0.4
69.03347	8.5
69.06989	10.8
69.07398	0.7
70.97001	0.8
71.01283	1.2
71.04918	2.1
73.02905	10.1
73.03267	0.7
79.05479	16.3
81.03407	3.7
81.07043	20.6
81.07470	1.2
83.04899	1.8
83.08601	5.2
85.02894	12.5
85.06475	1.0
87.04409	0.7
91.03945	7.9
91.05466	15.9
91.06010	0.8
93.07033	16.3
93.07574	0.9
95.04966	2.6
95.08594	18.8
97.02875	13.9
97.06508	2.1
97.10164	3.7
99.04349	1.3
99.08011	0.8
101.02371	2.5
105.07009	13.4
107.04897	0.6
107.08577	12.5
109.02773	1.2
109.06481	2.2
109.10133	7.5
111.07983	1.2
115.03838	1.2
115.05350	1.7
117.06996	8.1
119.08566	12.6
121.06440	0.6
121.10133	6.6
123.07990	0.9
123.11682	2.0
125.09537	1.5
125.10381	0.5
127.03889	2.8
128.05357	0.3
128.06190	3.2
129.05443	0.7
129.06976	10.4
130.07745	0.5
131.08548	12.5
132.54419	0.4
133.10112	10.1
135.07988	0.5
135.11653	4.0
137.09532	0.6
137.13147	0.9
139.11163	0.5
141.06975	6.0
142.07759	2.5
143.08537	12.7
144.09158	0.6
144.30600	0.5
145.04854	0.7
145.06383	0.9
145.10106	13.9
146.10632	0.4
147.11674	5.6
149.09590	0.6
149.13237	2.1
153.07007	2.1
154.07626	1.3
155.08542	11.3
156.09207	1.6
157.08913	0.8
157.10106	13.0
158.10815	1.0
159.07982	0.8
159.10414	0.5
159.11664	8.2
161.13248	2.9
163.11130	0.8
163.14714	0.9
165.06888	1.5
166.07683	1.0
167.08548	4.9
168.09248	1.6
169.10092	13.0
170.10825	0.6
171.11662	11.4
173.13220	4.7
175.11084	0.5
175.14711	1.8
178.07640	0.5
179.08476	2.7
180.09271	0.6
181.08623	0.5
181.10083	7.0
182.10760	1.3
183.11679	12.8
184.12321	0.5
185.09616	0.6
185.13228	9.3
187.11154	0.5
187.14807	4.1
189.16286	0.9
191.08276	0.4
192.09201	0.5
193.10110	3.4
194.10724	0.6
195.10088	0.5
195.11674	7.7
196.12260	0.6
197.13229	10.6
199.13306	0.5
199.14798	6.2
201.12585	0.6
201.16298	1.7
203.08517	0.5
203.17905	0.9
205.09991	1.2
207.11635	3.0
208.12326	0.6
209.13254	6.9
211.14793	6.9
213.12817	0.5
213.16435	3.7
215.17860	0.6
219.11580	1.2
221.13210	3.2
222.13824	0.6
223.14806	5.3
225.16322	4.7
227.18085	2.6
231.11537	0.5
233.13147	1.5
235.14809	2.6
237.16341	3.4
239.14189	0.6
239.17972	3.1
241.15688	0.8
241.19559	1.2
247.14709	0.8
249.16283	1.9
251.17990	2.5
253.15627	0.6
253.19547	1.0
255.21236	0.5
257.18820	0.5
261.16345	0.7
261.21948	0.5
263.17804	1.2
265.19489	1.3
267.20944	0.5
273.21893	0.5
277.19406	0.7
279.21069	1.1
283.20270	1.0
285.22134	0.6
289.19153	0.7
293.22583	0.9
295.20346	0.6
297.22305	0.6
299.20047	0.6
309.21704	0.6
311.23581	1.2
315.23297	0.5
321.21896	1.1
323.23648	1.3
325.21683	1.0
325.25189	0.9
327.22858	0.7
335.23325	0.7
337.25113	1.7
339.26901	0.5
341.24585	0.9
349.24896	1.0
351.26697	1.3
355.26251	0.7
363.26764	1.0
365.28253	1.1
367.26208	0.7
377.28241	0.6
379.25848	0.5
379.30109	0.6
391.29965	0.5
393.31781	0.7
395.29288	0.5
409.30850	0.7
421.30774	0.6
429.30457	0.5
433.30591	1.0
435.32529	0.6
447.32434	1.8
449.33743	0.6
459.32135	0.6
461.33759	0.6
469.32925	0.5
473.32849	0.8
475.34271	0.5
483.34625	0.5
487.34348	0.7
499.39780	0.7
501.35684	1.1
511.36737	0.5
515.37665	1.4
517.40277	6.3
521.35541	0.7
525.35797	0.7
527.36774	0.7
535.41528	3.5
539.37317	2.5
540.37659	0.7
541.38647	1.0
553.39777	0.5
566.39587	0.5
573.43457	0.5
591.44012	7.0
607.43341	2.5
609.45044	100.0
610.45374	4.9
611.46429	0.9
621.44885	1.5
625.44080	0.4
633.45630	0.7
651.46619	0.6
699.46198	0.6
717.47321	0.9
735.47644	0.9
753.49072	1.4
771.50238	17.7
772.51068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.1
55.05265	1.2
55.05500	11.7
57.03420	5.0
57.07062	2.0
61.02917	15.8
65.03925	1.3
66.59538	0.8
67.05494	20.1
67.08426	1.0
69.03417	8.1
69.07054	9.7
71.01329	1.3
71.04966	1.6
71.14925	2.5
73.02905	7.9
79.05479	15.3
81.03392	5.2
81.07043	21.9
83.04982	1.9
83.08604	6.0
85.02892	14.6
85.06488	1.1
91.03959	7.8
91.05466	14.0
93.06504	1.5
93.07032	16.7
95.04961	4.5
95.08588	18.6
97.02883	11.0
97.06519	2.4
97.10130	3.3
98.03236	0.9
99.04415	1.4
99.08054	1.2
101.02328	2.0
103.05460	1.8
105.07011	14.3
107.04930	1.7
107.08567	10.4
109.02844	1.8
109.06498	2.0
109.10136	7.6
111.04420	1.1
115.05450	2.1
117.07004	9.1
119.08566	11.7
121.10107	6.6
123.11695	1.4
125.09575	1.0
127.03883	2.2
128.06175	2.8
129.06990	8.9
131.08548	12.8
133.10103	11.1
135.08070	2.0
135.11670	4.6
137.09563	1.1
141.06937	4.2
142.07732	3.0
143.08540	12.5
144.09225	1.2
145.10091	10.2
146.27731	1.1
147.11665	6.2
149.09590	1.0
149.13194	2.4
155.08511	10.4
157.10083	10.7
159.11667	7.3
161.13232	3.0
163.14674	1.1
165.06937	1.5
167.08548	5.2
168.09204	1.4
169.10098	11.3
171.11679	8.7
173.09590	0.9
173.13206	4.8
175.14789	1.6
179.08553	2.4
181.10072	7.5
182.10829	1.0
183.11670	10.2
185.13205	6.6
187.14842	3.0
193.10139	2.2
195.11696	7.2
196.12309	1.4
197.13232	7.4
199.14867	5.1
201.16368	2.4
207.11623	3.0
208.12479	1.6
209.13200	5.6
211.14793	7.1
213.16344	2.6
219.11714	1.3
221.13220	2.2
223.14729	2.7
225.16487	4.9
227.17912	2.5
235.14780	2.2
237.16368	2.6
239.17870	2.8
241.19597	1.5
249.16156	1.7
251.17938	2.4
259.20316	1.2
271.20605	0.9
307.20624	0.9
321.21896	1.3
337.25317	1.3
349.24799	1.2
353.64233	0.9
391.29895	1.2
421.30975	1.0
426.25180	1.0
449.33749	1.0
473.32907	1.6
499.39453	1.0
515.37524	1.4
517.40332	6.5
527.36829	1.1
535.42151	4.2
539.37689	1.8
541.38770	1.4
591.44171	7.3
607.42969	3.0
608.43707	1.2
609.45020	100.0
610.45099	3.8
621.44128	1.3
633.44183	1.3
651.45288	1.0
717.45819	1.2
735.47052	1.6
753.48376	2.4
771.49976	18.9
772.50476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
55.05500	18.6
57.03431	7.5
57.07068	1.3
58.21050	0.9
61.15550	1.0
65.03925	3.1
67.05492	46.1
69.03413	2.3
69.07056	16.6
69.41407	10.0
69.41813	1.5
71.04971	2.6
71.66843	0.9
73.06557	1.1
77.03876	1.0
79.05479	52.4
81.03404	7.6
81.07041	83.9
82.07370	1.1
83.04974	12.4
83.08611	13.3
85.02871	1.7
85.06525	3.2
91.05463	48.6
93.07027	49.0
95.01292	0.9
95.04957	16.4
95.08590	29.0
97.02907	1.6
97.06506	5.5
97.10134	4.5
99.08073	3.1
103.01273	0.9
105.04508	1.3
105.07009	40.7
105.07725	2.2
107.04937	11.6
107.08574	18.7
109.06503	25.4
109.10134	7.4
111.08071	3.3
113.05961	1.2
115.05396	1.1
117.06982	7.9
119.08561	28.6
121.06490	3.5
121.10120	11.0
122.10429	1.0
123.08057	6.9
123.11700	4.0
125.09606	1.0
127.07499	1.3
128.06224	1.2
129.07010	10.0
130.07881	1.5
131.08539	10.0
133.06487	1.7
133.10117	14.7
135.08041	3.9
135.11661	5.0
136.98015	0.9
137.09612	2.6
143.08524	7.5
145.06453	1.0
145.10091	13.7
147.07999	2.3
147.11658	28.2
149.09619	5.7
149.13235	5.0
151.11188	2.1
155.08488	1.7
156.09297	1.1
157.10123	2.7
159.11685	4.5
161.09602	3.6
161.13248	8.2
161.57126	0.9
163.11130	6.3
163.14780	2.0
165.12724	3.0
169.10220	2.0
171.11661	15.7
173.09692	1.1
173.13223	3.3
175.11186	3.4
175.14778	1.5
177.12778	1.9
183.11674	1.3
187.11043	1.2
189.12708	6.5
191.10626	1.4
193.12215	1.6
197.13226	2.0
199.04187	1.2
207.13773	14.1
215.18004	1.0
225.14828	1.2
229.19528	1.7
247.20515	3.3
257.19022	3.4
259.20633	1.0
263.16348	1.1
267.15933	1.6
275.20016	52.7
276.20486	1.3
281.17422	70.6
282.17719	2.2
293.21048	8.6
349.23666	25.3
350.24094	1.8
367.24750	18.7
378.19708	1.0
429.30087	1.9
479.05109	1.0
491.29871	1.3
537.35754	3.4
555.36719	100.0
556.36957	8.2
573.37799	65.1
574.37878	3.7
608.44537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	16.2
55.05504	36.8
56.99647	2.0
57.03418	16.7
57.07067	2.7
58.66640	1.9
61.02907	10.9
65.03918	7.6
67.05133	4.9
67.05492	93.6
67.76173	2.0
69.03419	34.7
69.07054	39.4
69.75035	2.1
69.75996	6.7
69.76405	8.8
71.01334	2.8
71.04978	10.6
71.08620	2.3
73.02901	5.9
73.04099	2.0
79.05479	83.5
81.03406	66.8
81.07042	100.0
83.04971	19.1
83.08596	13.9
85.02885	19.0
85.06529	7.0
91.03933	5.8
91.05462	99.1
93.07027	76.8
94.07380	3.2
95.04956	23.7
95.08591	73.5
97.02875	25.1
97.06507	15.7
97.10157	7.2
99.04434	9.3
99.08073	4.5
101.02391	2.7
103.03892	2.4
103.05441	6.2
105.04523	3.2
105.07008	90.7
105.66094	2.0
106.07368	2.6
107.04929	16.7
107.08579	42.5
109.02857	18.9
109.06519	14.3
109.10145	26.4
111.04430	8.2
111.08080	7.1
113.06038	2.2
115.05460	7.7
116.06224	2.4
117.06990	46.8
119.04895	3.0
119.08556	65.8
121.06500	8.8
121.10125	32.0
123.04445	3.3
123.08067	11.9
123.11700	9.1
125.09599	4.9
127.03925	8.5
128.06181	11.1
129.05467	6.9
129.06992	33.1
130.07687	2.4
131.04881	2.5
131.08542	50.5
131.09453	4.2
133.06479	7.5
133.10103	51.8
135.08014	10.9
135.11678	16.8
137.09598	5.8
139.07532	2.4
141.06960	12.7
142.07750	9.6
143.08539	32.5
143.09605	2.6
145.06471	10.2
145.10104	46.5
147.08051	6.5
147.11655	30.1
149.05980	3.0
149.09615	8.1
149.13211	8.9
151.11171	4.2
153.06969	5.1
153.55498	2.0
154.07716	3.7
155.08545	21.2
157.06476	3.7
157.10088	26.2
159.08069	7.6
159.11670	32.1
161.09631	6.5
161.13252	9.5
163.07535	2.2
163.11159	7.6
165.07043	5.4
165.12762	2.7
166.07770	3.8
167.08609	12.9
168.09309	4.9
169.10098	26.0
171.08005	5.1
171.11673	26.7
173.04414	22.5
173.09700	3.5
173.13219	16.8
175.11194	5.2
175.14848	3.2
177.12766	5.6
178.07823	3.5
179.08562	8.3
180.09378	2.4
181.10059	16.5
182.10788	2.6
183.08133	3.1
183.11639	21.0
185.09734	4.8
185.13226	16.6
186.52733	2.2
187.11220	4.9
187.14810	6.2
189.12659	3.3
191.08490	4.1
191.14244	2.6
192.09283	2.9
193.10144	9.1
194.10779	2.7
195.11703	19.1
195.13483	3.3
196.12189	2.4
197.09628	2.7
197.13225	15.0
199.11223	4.0
199.14816	7.7
201.12714	4.7
201.16391	3.9
203.10890	2.5
203.18135	2.5
205.10081	3.4
207.11736	9.8
208.12468	3.0
208.31239	2.3
209.13193	14.4
211.11342	2.9
211.14726	10.5
213.12840	2.9
213.16432	4.2
218.10786	2.5
219.11734	5.5
221.13232	6.8
223.14868	7.2
225.16370	5.2
235.14792	6.3
237.16322	5.0
239.17915	7.5
241.19626	4.4
255.17393	4.1
257.19000	8.9
259.20554	8.9
261.16397	3.1
269.17538	3.0
271.20593	3.1
273.18555	3.6
275.20056	40.7
277.21799	4.4
283.20462	3.1
295.20587	3.1
299.20099	3.0
301.21579	4.4
307.20456	3.0
309.21826	2.5
311.20142	3.4
315.23169	5.3
325.21631	3.1
333.24222	5.8
339.22971	3.5
339.26776	2.6
343.22791	3.1
349.20865	2.6
349.23978	6.8
351.23041	3.1
367.22696	9.6
385.23755	5.4
399.26538	3.0
433.30640	2.7
441.26193	6.4
459.27225	5.9
513.35846	2.8
515.38580	5.3
527.37372	3.7
533.39911	3.9
539.37616	3.5
543.36780	3.1
589.42212	5.4
605.41095	3.6
607.43518	66.8
608.43683	5.5
609.44672	3.4
625.43835	3.5
635.39722	4.0
649.44513	3.6
653.40808	4.5
671.41083	9.0
715.45453	6.4
733.46240	7.9
751.47382	8.0
769.48663	39.9
793.05133	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	769.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.3
55.05502	30.4
56.74253	1.2
57.03425	14.2
57.07053	3.4
61.02921	12.3
65.03921	4.2
67.05495	57.7
69.03423	26.5
69.07060	25.3
69.45184	11.3
71.01337	2.1
71.04987	8.6
73.02897	9.4
76.38158	1.2
79.05479	45.9
81.03400	34.9
81.07043	55.3
83.04975	10.4
83.08611	13.0
85.02898	18.7
85.06519	3.9
87.04449	2.5
90.52579	1.2
91.03937	5.5
91.05463	53.2
93.03406	1.8
93.07027	43.4
95.04955	12.3
95.08588	42.9
97.02871	17.9
97.06506	8.7
97.10147	8.5
98.20704	1.8
99.04433	6.7
99.08086	3.1
101.02357	3.5
103.03938	1.6
103.05473	3.0
105.07013	42.1
107.04944	6.8
107.08580	32.8
109.02853	8.1
109.06506	7.4
109.10139	17.3
111.04456	3.4
111.08034	5.7
115.05473	4.3
117.06992	23.0
119.08558	34.7
120.37378	1.2
121.06487	4.3
121.10139	14.9
123.04409	1.3
123.08063	5.1
123.11708	4.8
125.09616	4.9
127.03884	7.5
127.07488	1.3
128.06166	6.7
129.05516	6.0
129.06982	19.2
130.07816	2.2
131.04900	1.3
131.08551	29.3
133.06497	3.6
133.10088	24.1
133.10973	1.5
135.08047	5.8
135.11684	9.1
137.09613	4.5
141.06946	13.5
142.07794	4.1
143.08536	21.5
144.09285	1.5
145.05116	1.4
145.06451	3.0
145.10110	25.3
147.08025	4.2
147.11670	14.6
149.02327	12.8
149.09564	6.1
149.13258	4.6
151.07561	2.0
151.11128	2.0
153.07018	3.0
154.07687	2.2
155.08524	20.4
156.09288	2.8
157.10091	20.5
159.08067	3.8
159.11668	19.3
161.09619	2.7
161.13226	8.0
163.11220	4.7
165.07022	4.5
165.09117	1.4
166.07687	2.8
167.08545	10.9
168.09343	2.9
169.10078	21.3
170.10747	1.9
171.08121	1.8
171.11662	15.4
173.04460	9.9
173.09581	2.8
173.13181	11.2
175.11211	2.9
175.14844	3.6
177.12744	2.8
178.07742	2.1
179.08498	6.4
180.09366	3.6
181.10109	14.8
182.10933	2.9
183.11665	20.5
185.09645	1.8
185.13200	11.7
187.11116	2.0
187.14868	5.5
189.11145	2.1
189.12733	1.8
189.16319	2.1
191.08498	2.8
193.04948	16.5
193.10048	8.3
195.11664	19.3
195.13388	2.2
196.12553	2.7
197.09669	1.3
197.13278	14.0
199.11258	1.6
199.14787	7.1
201.12733	3.0
201.16380	1.5
205.10152	4.1
207.11664	8.8
209.13255	14.7
210.13991	1.5
211.14764	10.2
213.12814	1.8
213.16400	3.7
215.14360	1.4
219.11693	2.7
220.12552	2.2
221.13292	8.7
223.11209	1.6
223.14830	5.2
225.12917	1.8
225.16405	5.3
227.18030	2.2
231.11688	1.9
233.13268	2.8
233.15396	1.3
235.14885	5.8
237.12808	1.8
237.16451	4.1
239.17976	7.4
241.19650	2.9
245.13376	2.4
245.19049	1.7
247.14877	3.5
249.16527	4.3
251.18008	2.7
253.19818	1.5
257.18921	6.4
259.20636	4.0
261.16409	2.5
263.17938	4.4
265.19586	2.4
271.20511	2.0
273.18570	3.3
275.20102	15.3
277.19400	3.1
279.21213	2.3
283.20712	1.5
285.22223	2.9
287.20218	1.8
293.18851	1.5
295.20370	2.7
297.18884	1.5
297.22275	2.2
301.21738	2.2
307.20468	2.1
309.22153	2.3
313.21936	1.9
321.22076	3.2
323.23846	1.4
325.21594	2.8
337.21774	1.5
337.25464	2.1
339.23203	3.4
345.24652	1.5
349.24139	6.3
351.23032	2.3
355.22595	1.3
357.24280	1.8
363.26935	3.0
367.22705	5.5
367.26645	1.7
377.28696	1.9
385.23782	3.4
419.29053	2.3
423.33105	1.8
441.26605	2.3
445.31226	1.7
513.35767	5.6
515.38837	7.8
525.35901	1.6
527.37549	2.0
533.40094	4.9
537.35779	1.3
539.37317	2.3
551.40753	2.9
589.42365	5.8
605.42236	2.1
607.43500	100.0
608.43604	6.9
609.45166	1.4
625.44543	4.3
631.43787	1.7
715.45538	3.8
733.46521	4.4
751.47241	7.0
769.18488	1.6
769.48700	41.9
770.48645	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	769.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05505	24.8
55.42450	1.0
57.03430	12.7
57.07058	3.3
59.04975	1.1
61.02918	17.3
65.03921	4.2
67.05495	50.7
69.00859	0.9
69.03419	21.0
69.07057	20.4
71.01349	2.4
71.04982	5.9
72.56087	1.1
73.02908	12.8
78.12279	1.1
79.05482	36.6
81.03403	22.0
81.07045	45.0
82.07961	0.9
83.04966	8.5
83.08610	12.6
85.02895	22.2
85.06540	3.8
87.04466	2.0
91.03951	12.6
91.05470	36.0
93.07033	38.6
93.81520	1.0
95.04947	8.9
95.08593	39.5
97.02876	21.9
97.06510	7.2
97.10162	7.1
99.04451	5.4
99.08099	2.1
101.02361	4.0
103.03915	1.9
105.07011	32.9
107.04936	4.8
107.08579	22.6
109.02859	6.7
109.06504	4.8
109.10138	14.4
111.04446	2.4
111.08064	4.2
113.05949	1.1
115.03922	1.3
115.05467	3.1
116.06253	1.8
117.07004	18.8
119.08562	30.6
121.06512	3.0
121.10123	15.6
123.08054	4.0
123.11670	2.4
125.09612	5.3
127.03905	7.4
128.06216	4.1
129.05463	3.5
129.06975	17.2
130.07806	1.9
131.04898	1.1
131.08549	28.6
133.06433	2.0
133.10106	21.1
135.08028	4.3
135.11682	8.0
137.06081	1.3
137.09557	2.0
139.07584	1.6
139.11092	1.5
141.06995	10.5
142.07774	5.7
143.08549	19.1
144.09402	1.5
145.04935	2.0
145.06425	2.8
145.10098	24.0
147.08063	2.2
147.11668	10.7
149.09566	3.3
149.13239	3.7
153.06982	3.4
154.07739	3.0
155.08522	21.3
156.09290	2.9
157.06512	1.7
157.10107	18.5
159.08020	1.6
159.11673	14.6
161.09624	3.5
161.13269	6.1
163.11072	1.5
163.14790	1.5
165.06952	4.7
166.07748	3.7
167.08563	12.4
168.09282	3.3
169.10101	23.6
171.07965	1.9
171.11673	13.6
173.04436	3.6
173.09645	2.5
173.13246	7.9
175.11143	1.1
175.14778	2.4
178.07755	1.5
179.08531	8.1
180.09283	4.2
181.10088	18.2
182.10829	2.0
183.08051	2.4
183.11662	21.0
185.09598	1.8
185.13245	11.6
187.11259	1.5
187.14784	4.9
189.12691	1.4
189.16396	1.7
191.08585	2.6
191.14311	1.5
192.09300	1.7
193.10091	9.4
194.10863	2.6
195.11659	18.4
196.12387	2.5
197.09637	1.1
197.13261	13.9
199.11075	1.2
199.14764	5.3
201.12680	1.3
201.16360	1.7
205.10081	3.1
206.10931	1.4
207.11679	11.8
208.12308	2.2
209.09369	1.2
209.13228	15.9
210.13814	1.5
211.14784	8.9
213.12840	1.5
213.16479	2.3
215.14311	1.3
215.17998	1.7
217.10130	2.0
219.11714	5.5
221.13269	9.1
223.14795	11.9
224.15532	1.3
225.12888	1.6
225.16351	7.8
227.19919	5.5
229.19583	1.4
230.01543	1.5
231.11652	1.5
231.17351	1.4
233.13272	5.3
235.14873	8.4
237.16338	5.9
239.18024	5.2
245.13290	1.7
247.14798	3.2
249.16316	3.2
251.17911	3.4
253.19458	2.0
257.18924	3.5
259.14703	2.1
259.20642	2.2
261.12454	1.2
261.16431	2.7
263.17892	3.4
265.19498	2.7
271.20496	1.5
273.21887	1.4
275.20288	7.6
277.19397	1.5
279.17395	1.5
283.20529	2.4
285.22067	1.0
295.20459	1.1
299.20233	1.4
305.18869	1.5
307.20352	2.5
313.21521	1.3
319.20291	1.3
321.21982	2.2
323.19965	1.8
323.23608	2.3
333.21921	1.2
335.20078	1.3
335.23508	1.2
337.21515	1.4
337.25146	1.3
339.23215	1.8
347.23492	1.8
349.24661	2.6
351.23047	2.4
351.26974	1.7
353.24768	1.8
361.25333	2.1
363.26773	2.5
365.24500	1.3
375.26620	1.3
377.28293	1.6
389.28308	1.7
391.30087	1.4
401.28290	1.4
433.31000	1.6
445.31027	2.7
485.33316	1.4
499.34122	2.2
511.33521	1.4
513.35754	2.9
515.38751	9.7
519.34772	2.5
525.35632	3.3
531.38165	1.7
533.39337	4.2
537.35626	4.3
538.36157	2.4
539.37054	2.9
551.40540	1.5
589.42322	7.5
605.41644	3.1
607.43494	100.0
608.44061	8.7
609.45624	1.4
619.43274	2.4
625.44324	4.0
649.44421	2.1
715.45697	2.0
733.46637	3.2
751.48425	5.9
769.48792	34.1
770.49164	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	769.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.5
55.05498	31.7
57.03432	14.1
57.07055	4.3
61.02912	17.1
65.03914	10.3
67.05494	73.3
69.03415	30.6
69.07059	26.8
69.38538	18.2
71.01345	3.6
71.04976	8.5
73.02910	10.6
75.98243	1.3
77.03907	2.2
79.05480	63.7
81.03403	42.3
81.07041	71.1
83.04961	14.1
83.08604	16.7
85.02887	22.7
85.06539	4.1
91.03953	8.1
91.05458	55.7
93.07029	58.2
94.07345	1.5
95.04952	15.1
95.08003	3.4
95.08589	56.0
97.02876	21.4
97.06516	8.6
97.10147	9.9
99.04445	7.2
99.08046	3.0
99.87664	1.5
101.02354	3.5
103.05421	2.2
105.07014	63.3
106.27965	1.3
107.04948	7.2
107.08571	35.9
109.02843	10.8
109.06505	9.6
109.10138	22.7
111.04422	3.9
111.08042	5.3
113.06043	1.3
115.05449	6.3
117.07005	29.0
119.04903	2.5
119.08558	44.6
120.08886	1.9
121.02856	1.9
121.06515	4.2
121.10118	24.8
123.04415	2.9
123.08035	6.6
123.11687	5.2
125.09595	5.6
127.03888	12.1
128.06177	8.4
129.05466	5.5
129.06960	20.2
130.07779	3.3
131.08542	37.8
133.06468	4.7
133.10110	32.0
135.08031	8.7
135.11667	13.5
137.05887	2.0
137.09596	1.7
139.07547	1.9
141.06946	10.3
142.07744	4.8
143.08537	26.5
144.09296	2.4
145.06461	5.4
145.10107	31.1
147.07994	3.6
147.11639	22.8
149.02325	45.4
149.03380	2.4
149.09555	7.4
149.13245	6.7
150.02647	1.6
151.11139	3.3
153.07002	3.4
154.07753	3.7
155.08533	19.5
156.09328	3.0
157.06464	2.9
157.10110	26.5
158.10854	2.0
159.08000	4.2
159.11667	25.5
161.09625	4.4
161.13203	9.0
163.11143	4.7
163.14783	1.9
165.06967	4.1
166.07697	2.4
167.08556	14.8
168.09341	3.0
169.10088	24.1
170.10866	2.3
171.08044	4.4
171.11658	23.9
173.04413	15.3
173.09572	3.6
173.13205	11.8
175.11209	3.6
175.14790	4.2
177.12776	3.8
178.07716	2.2
179.08556	10.0
179.09966	1.6
180.09355	1.8
181.10081	16.0
182.10829	3.5
183.07991	2.9
183.11635	25.3
185.09651	2.9
185.13243	14.5
187.11142	2.3
187.14812	6.4
191.08452	1.7
193.04935	49.1
193.10117	10.3
193.11679	1.8
194.05249	2.2
195.11652	20.0
195.13603	2.3
196.12302	1.9
197.09540	4.2
197.13216	15.6
199.11249	2.3
199.14792	6.3
201.09071	1.9
201.12718	2.0
201.16402	2.6
205.10149	3.4
206.10841	2.9
207.11746	9.6
208.12527	1.9
209.13220	15.7
210.13954	1.8
211.14781	7.7
213.12846	2.6
213.16339	5.7
215.14333	2.8
219.11664	5.9
219.13631	1.8
220.12581	1.7
221.13258	8.3
221.15117	2.0
223.14891	9.4
224.15535	1.7
225.16335	6.9
227.14413	2.1
227.17982	2.2
227.20044	1.7
231.11610	2.5
233.13295	3.5
235.14751	10.5
237.16351	7.2
239.14142	1.9
239.17892	3.8
241.19475	4.4
245.13361	2.8
245.19077	2.2
247.14743	3.3
247.20596	2.2
249.16325	5.7
251.17950	4.8
255.17203	2.7
257.18982	6.1
259.20596	5.7
261.16452	3.1
263.17844	3.3
265.19507	2.3
271.20505	3.9
273.18497	3.6
275.20145	19.5
277.19281	2.9
281.18896	2.0
283.20569	1.9
285.18805	1.6
291.20868	1.8
295.20322	2.8
297.22125	2.9
299.20099	2.5
301.21680	3.1
303.20898	2.3
307.20248	2.3
309.21854	2.6
313.21561	2.9
315.23270	3.3
321.21890	3.4
323.23718	2.3
325.21585	3.0
333.24280	4.3
339.23212	2.4
349.24020	5.3
351.23111	3.4
363.26724	2.6
367.22656	4.5
369.24265	1.9
377.28336	1.8
385.09137	2.3
385.23593	3.2
403.25177	1.8
403.30029	2.4
421.31198	2.7
497.37833	1.6
507.34006	1.6
513.35870	4.6
515.38251	8.1
527.36786	4.2
533.39465	4.8
537.35522	2.2
571.40924	2.2
589.42224	5.1
605.41650	3.5
607.43469	100.0
608.43506	9.0
625.44366	5.0
631.43353	2.0
649.44110	3.2
671.41492	3.7
715.45203	3.4
733.46704	6.0
751.47717	9.1
769.17224	4.1
769.48608	43.3
770.49347	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	769.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05500	22.6
57.03427	9.8
57.07057	2.8
59.04981	1.3
61.02919	18.5
61.06265	0.9
65.03921	4.2
67.05493	51.8
69.03418	22.4
69.07056	22.5
71.01331	2.8
71.04979	6.0
73.02901	11.1
77.03947	1.2
79.05478	42.3
81.03399	20.0
81.07043	48.0
82.07367	1.8
83.04971	7.8
83.08607	11.1
85.02883	16.1
85.06541	2.7
87.04411	1.2
91.03934	8.3
91.05463	40.4
93.07029	37.4
95.04945	10.3
95.08588	34.3
97.02876	20.3
97.06481	5.1
97.10153	7.8
98.21436	2.8
99.04439	4.2
99.08075	1.7
101.02335	5.0
103.03910	1.1
103.05422	2.3
105.07014	31.4
107.04908	5.2
107.08568	26.7
109.02872	4.9
109.06474	6.0
109.10138	16.2
111.04400	2.1
111.08069	3.6
113.09675	0.9
115.03894	1.3
115.05423	3.3
116.06220	1.7
117.06998	21.5
119.08562	24.7
121.06510	2.7
121.10142	11.4
123.08044	6.1
123.11707	3.1
125.09587	5.3
127.03869	5.1
128.06203	4.7
129.05463	2.7
129.06984	17.4
130.07779	3.0
131.04813	1.3
131.08536	24.1
133.06470	2.7
133.10112	18.2
135.08037	3.3
135.11674	8.4
137.05875	1.3
137.09605	2.9
137.13168	1.1
139.11201	1.0
141.06976	8.6
142.07747	4.0
143.08539	20.9
144.09375	1.1
145.06474	4.1
145.10094	23.4
147.08058	2.4
147.11671	11.9
149.09593	3.5
149.13242	4.2
151.07527	0.9
151.11171	1.3
153.06966	3.2
153.09050	1.0
154.07774	2.3
155.08530	15.9
156.09276	2.5
157.10094	17.9
159.08028	2.9
159.11676	13.4
161.09625	3.1
161.13232	5.4
163.11169	3.3
165.06964	5.9
166.07764	2.2
167.08516	11.7
168.09344	3.9
169.10083	19.5
170.10841	1.7
171.07938	1.7
171.11644	15.1
173.04408	4.1
173.09598	2.2
173.13210	7.1
175.11107	1.5
175.14764	2.7
177.12724	2.0
178.07733	2.5
179.08527	6.8
180.09279	2.2
181.08553	1.8
181.10068	15.0
182.10931	1.6
183.08090	1.2
183.11670	17.7
184.12321	1.2
185.09679	1.9
185.13245	9.9
187.11172	2.0
187.14792	5.0
189.11150	1.7
189.12726	1.7
189.16365	1.1
191.08565	2.5
191.14258	1.4
192.09398	1.7
193.10095	8.6
194.10904	2.8
195.11674	14.9
196.12334	1.9
197.09612	1.0
197.13246	12.2
199.11145	2.5
199.14854	5.1
201.12642	2.0
201.16344	2.1
205.10219	2.3
206.10934	1.2
207.11662	9.0
207.13556	1.8
208.12381	1.5
209.09557	2.1
209.13243	13.6
210.13837	1.5
211.14868	6.5
213.12720	2.0
213.16423	3.1
215.17924	1.3
217.10231	1.4
218.10901	2.2
219.11659	4.0
221.13268	7.7
222.13806	2.0
223.11218	1.1
223.14752	8.5
225.16345	4.6
227.12689	1.8
227.17998	1.8
229.14221	1.1
231.11630	2.1
233.13187	4.0
235.14865	6.0
237.12656	1.3
237.16341	6.2
239.14287	1.9
239.17953	3.9
245.13249	1.6
247.14871	2.0
249.16393	3.8
251.17966	4.6
253.15744	1.4
257.18970	3.3
259.20605	2.4
261.16284	2.4
263.17917	2.4
265.19620	2.4
267.21014	1.6
271.20551	1.8
273.18732	1.5
275.20145	10.7
277.19330	2.1
279.21176	1.5
281.17395	1.7
283.20383	1.3
291.20142	1.0
295.20728	1.6
299.19901	1.2
309.21924	1.8
313.21564	2.6
321.21872	2.0
323.20074	1.2
325.21854	1.4
327.23087	1.7
335.23370	1.6
337.25327	1.7
339.23190	2.1
347.23425	1.2
349.24228	3.7
351.22931	1.9
361.25201	2.5
363.26752	1.9
367.22586	3.0
377.28406	1.7
389.28220	2.1
401.27979	1.4
407.28836	1.7
419.29538	1.1
445.30869	1.3
459.27167	1.2
487.34366	1.9
497.37775	1.4
499.33789	2.2
511.33887	1.1
513.36053	1.4
515.38812	9.9
525.35419	1.7
533.39740	3.7
537.35278	2.4
538.36096	1.5
539.37469	1.4
551.40979	1.8
555.36432	2.3
589.42859	5.0
605.41388	1.8
607.43475	100.0
608.43909	7.0
619.43591	2.6
625.44159	3.1
649.44171	1.8
715.45709	2.3
733.46582	4.3
751.47742	4.7
769.48706	31.9
770.49274	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	769.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.2
55.05503	33.2
57.03428	11.3
57.07062	4.6
61.02908	3.4
64.10474	2.3
64.29064	2.1
65.03926	7.2
67.05492	69.3
69.03418	22.0
69.07055	34.3
71.01344	5.2
71.04975	8.0
71.69881	4.3
73.02900	5.4
79.05020	3.6
79.05481	58.5
81.03408	34.6
81.07042	100.0
83.04953	11.0
83.08614	17.3
85.02893	11.1
85.06525	5.1
91.05467	61.0
91.06387	2.1
93.07029	57.0
94.07409	2.9
95.04945	23.8
95.08596	50.4
97.02886	10.9
97.06512	17.6
97.10133	6.8
99.04425	6.0
99.08071	4.4
103.03934	3.0
105.07010	64.1
107.04938	13.9
107.08572	35.3
109.02851	9.0
109.06509	20.8
109.10145	17.4
111.04438	5.9
111.08074	6.5
115.05455	6.9
117.06998	29.4
119.08562	46.4
121.06484	10.1
121.10115	21.0
122.10429	2.4
123.04356	2.4
123.08051	9.4
123.11690	5.0
125.09605	7.1
127.03915	8.6
128.06209	5.4
129.05455	3.8
129.06993	23.0
131.08537	39.4
133.06465	6.5
133.10103	29.4
135.08038	7.7
135.11638	13.0
137.09639	4.8
139.07547	3.3
141.06987	10.7
142.07835	5.8
143.08542	19.0
145.06490	5.1
145.10092	34.1
147.08025	8.4
147.11668	24.9
149.09613	10.4
149.13228	7.9
151.07513	3.1
151.11206	3.8
153.07014	2.8
155.07246	2.0
155.08525	14.2
156.09244	2.6
156.88385	2.4
157.06493	3.8
157.10098	22.3
159.08002	5.0
159.11661	21.4
161.09598	6.6
161.13234	10.8
163.11191	5.9
165.07022	5.3
165.12753	3.2
166.07762	3.2
167.08574	9.4
168.09328	5.5
169.06371	4.6
169.10110	17.8
171.08093	4.1
171.11668	17.4
172.92188	2.4
173.04492	2.8
173.09590	5.6
173.13245	11.3
175.11172	4.9
177.12727	5.0
178.98262	3.0
179.08562	3.2
179.14320	2.7
181.10121	10.6
182.10970	3.5
183.08075	5.0
183.10234	3.3
183.11638	16.8
185.09561	5.6
185.13287	9.6
187.11172	6.6
187.14832	4.8
191.08487	2.4
192.09238	3.2
193.10143	5.5
193.12102	4.1
195.08125	2.6
195.11687	12.5
197.13228	9.9
199.11156	5.8
199.14813	5.9
201.12735	3.0
205.10164	2.6
207.11691	5.4
209.09782	2.9
209.13243	9.0
211.11180	4.8
211.14845	7.6
213.12726	3.1
213.16423	5.3
219.11638	3.4
221.13301	7.0
223.11122	5.2
223.14757	5.8
225.12643	3.3
225.16415	3.5
233.13179	4.6
235.11050	2.7
235.14848	4.9
237.12831	5.0
239.18091	3.2
247.20467	4.6
257.18967	4.7
259.20569	4.3
271.20633	3.0
273.18518	4.4
275.20053	30.2
276.20526	2.7
289.19305	2.7
301.21451	3.8
306.61136	2.3
313.21796	4.4
325.21494	6.6
331.22583	3.3
333.24301	4.3
339.23312	2.5
349.21478	4.3
349.24292	4.6
351.23148	2.6
352.51468	2.2
363.26230	2.6
367.22849	10.5
385.23666	8.4
441.26163	6.5
459.27365	5.4
515.38708	4.6
525.35919	3.3
533.39758	3.8
551.40906	5.6
607.43286	29.2
608.44244	2.6
625.44360	7.7
625.56042	2.7
649.43842	3.7
677.42218	2.6
715.45752	6.2
721.46094	3.3
733.46484	13.5
751.47650	13.5
752.48651	3.0
769.48785	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	769.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.0
55.05503	30.3
57.03426	9.5
57.07064	2.6
59.63461	1.4
60.99307	1.4
61.02922	2.4
65.03925	6.5
65.78002	1.2
67.05494	63.4
69.03419	18.6
69.07056	33.1
71.04965	7.7
71.71213	1.3
73.02480	1.5
79.05479	56.1
81.03403	25.7
81.07042	100.0
83.04965	11.1
83.08606	13.8
85.02885	8.0
85.06544	4.5
91.05464	59.0
93.07027	53.6
95.04951	17.0
95.08588	43.7
97.02863	9.3
97.06513	12.0
97.10155	5.0
99.04449	3.6
99.08070	3.8
103.04015	1.7
103.05467	3.4
105.07010	62.6
107.04929	12.2
107.08582	31.4
109.02878	8.7
109.06497	23.1
109.10133	14.9
111.04430	4.8
111.08054	4.8
115.05434	5.0
117.07005	29.0
119.04927	1.5
119.08556	41.4
121.06488	5.9
121.10111	21.0
123.04391	3.5
123.08050	8.4
123.11671	6.8
125.09625	3.1
125.22736	1.5
127.03907	4.0
128.06201	7.4
129.05472	3.0
129.06993	20.2
130.07806	2.6
131.08545	34.9
133.06479	6.1
133.10104	26.3
135.08031	7.8
135.11670	11.2
137.05920	2.3
137.09605	5.1
137.13264	1.3
141.06952	9.4
142.07784	5.6
143.08540	20.1
144.09334	2.3
145.06459	9.0
145.10094	28.7
145.11214	1.7
147.04382	1.7
147.08017	7.2
147.11656	25.2
149.06009	1.8
149.09615	9.7
149.13237	7.6
151.07523	2.3
153.06970	3.5
153.09093	1.8
153.33502	1.4
154.07768	2.7
155.08517	17.9
156.09341	3.0
157.06454	5.1
157.10092	19.9
158.07327	1.5
159.08031	8.4
159.11694	18.3
161.09581	6.6
161.13173	9.0
163.11172	5.2
163.14813	2.7
165.07033	4.5
165.08983	1.8
165.12756	6.1
166.07771	2.4
167.08549	9.8
168.09238	1.9
169.06454	2.1
169.10085	17.1
171.08040	5.9
171.11650	15.2
173.09602	6.4
173.13237	8.4
175.07556	2.5
175.11147	4.8
175.14873	4.8
177.09016	1.4
177.12708	3.4
178.07817	1.7
179.08525	4.4
179.14255	3.0
180.09465	1.7
181.06462	2.5
181.10094	14.3
182.10828	1.9
183.08055	5.2
183.11641	13.1
185.09622	6.7
185.13222	10.3
186.10400	1.6
187.07498	1.8
187.11176	4.4
187.14825	4.7
189.12766	2.7
191.08585	3.0
192.09421	2.5
193.10120	4.3
193.12282	2.2
195.08110	3.8
195.11674	13.3
195.13464	1.8
197.09596	3.9
197.13225	9.3
199.11237	7.1
199.14821	4.6
201.12738	6.2
205.10147	3.3
205.12073	1.8
206.10847	1.5
207.11728	6.7
207.13489	1.5
209.09613	3.1
209.13220	6.3
211.11230	3.5
211.14842	6.3
213.12727	4.1
213.16301	2.8
217.15778	1.8
219.11674	2.2
221.09644	1.9
221.13258	6.3
223.11240	3.0
223.14854	3.0
225.12703	2.9
225.16266	2.4
227.10657	2.5
227.17989	1.8
229.10121	1.7
229.12318	1.7
229.19418	2.6
233.13190	2.0
235.14957	2.8
237.12682	3.2
237.16490	2.6
239.14302	3.2
239.17955	3.4
241.19489	3.3
247.14787	2.8
247.20605	4.6
249.12697	1.9
249.16435	2.7
251.14255	2.1
253.15848	1.7
255.17537	2.4
255.21371	1.8
257.19006	5.8
259.20596	5.6
269.19098	1.9
271.20529	2.7
273.18484	3.0
275.20023	31.8
276.20404	2.1
277.21832	2.5
281.19049	1.7
283.20483	2.1
289.21533	2.0
291.19449	1.8
293.21155	5.9
299.20139	2.7
301.21637	2.9
307.20410	1.9
313.21530	5.2
315.23224	1.8
321.22110	3.2
323.20029	1.9
325.21628	5.6
333.24298	3.5
335.25940	2.3
337.21353	2.7
339.23087	4.3
343.22723	1.6
349.23666	8.6
351.23129	2.4
357.23871	1.6
360.45715	1.9
367.22290	14.5
385.23715	8.9
403.24948	3.2
403.30130	1.7
423.25424	3.2
441.26337	9.1
459.27258	5.1
477.28690	1.8
515.38538	3.0
533.39801	3.7
551.41107	4.0
607.43542	19.8
623.42072	1.9
625.44629	5.1
649.43805	1.9
679.45514	2.6
691.45844	3.3
697.44287	2.5
715.45068	6.0
721.46631	2.6
733.46558	12.5
751.47491	12.7
769.48785	25.6
770.49426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	2.1
55.01858	15.2
55.05498	46.0
57.03426	20.6
57.07056	4.7
58.72276	2.0
61.02911	17.8
65.03930	6.1
67.05495	95.6
68.05807	3.2
69.03423	43.0
69.07057	43.8
71.01343	3.3
71.04992	13.2
71.71323	3.2
73.02904	8.2
79.05481	87.1
80.05807	2.1
81.03407	69.3
81.07043	99.5
83.04968	19.1
83.08608	22.3
85.02894	28.8
85.06539	6.5
91.03920	6.3
91.05465	92.1
91.06038	4.1
92.05770	3.2
93.07031	83.7
94.07358	2.4
95.04952	23.0
95.08588	69.7
97.02879	34.1
97.06525	12.6
97.10161	13.5
99.04438	11.4
103.05457	4.6
105.07014	81.9
107.04931	13.9
107.08580	52.6
109.02869	15.9
109.06509	13.9
109.10131	26.9
111.04413	5.3
111.08070	7.4
115.05444	8.8
116.06260	2.5
117.06990	41.6
118.07354	3.5
119.08559	60.0
120.08849	2.8
121.06513	11.8
121.10127	32.9
123.08046	8.3
123.11678	7.4
125.09612	9.3
125.89171	2.1
127.03888	16.6
128.06230	12.0
129.05463	6.3
129.06990	27.7
131.04939	2.9
131.08542	55.2
133.06479	7.0
133.10115	41.0
135.08041	12.6
135.11674	18.6
137.09630	4.8
138.72578	2.3
139.11124	2.4
141.06944	13.5
142.07750	4.1
143.08546	37.2
144.09334	2.5
145.06453	6.0
145.10114	39.9
147.08025	7.4
147.11662	32.6
149.09607	7.8
149.13255	9.3
151.07581	2.6
151.11165	2.8
153.06996	6.3
155.08528	27.4
157.06500	3.6
157.10097	33.5
159.08064	8.1
159.11656	35.3
161.09601	7.2
161.13297	10.7
163.11171	7.5
165.06952	4.5
165.12859	2.4
166.07793	3.5
167.08549	13.7
168.09326	5.8
169.10088	27.1
171.08044	5.9
171.11653	34.3
173.04430	29.9
173.09616	7.6
173.13206	17.8
175.11133	5.6
175.14825	6.0
177.12744	3.7
179.08592	7.7
180.09286	5.8
181.10089	21.6
182.10956	5.6
183.08102	2.8
183.11673	23.1
185.09653	2.7
185.13231	17.5
187.11168	5.8
187.14819	7.9
189.12711	2.8
191.08414	3.6
193.10074	11.1
195.11685	22.0
197.09587	3.4
197.13226	19.8
199.11121	6.7
199.14819	7.7
201.12656	3.2
201.16306	2.4
204.40782	2.2
205.10185	3.4
207.11688	12.7
209.13226	16.7
211.11209	3.4
211.14746	11.8
213.12892	2.9
213.16316	5.1
219.11739	5.5
219.13782	4.0
221.13226	10.0
223.11188	3.5
223.14891	14.4
225.12871	4.2
225.16405	7.3
227.12634	3.0
229.19533	2.6
233.13280	5.0
235.14799	8.4
237.16391	7.8
239.17923	7.0
241.19576	3.5
249.16405	5.2
251.17831	4.2
257.18970	8.0
259.20551	5.2
261.16278	3.7
271.20547	2.6
273.18692	5.9
273.21841	2.9
275.20087	26.2
279.17261	2.9
279.20959	2.9
281.17432	7.8
282.17792	3.4
289.19226	2.7
291.19565	10.7
292.19882	6.2
295.20297	3.3
301.21570	2.8
303.21017	3.6
307.20627	2.4
311.23459	2.9
313.21530	6.9
315.23178	5.6
321.22049	2.3
325.21423	2.8
331.22815	2.8
333.24310	4.6
337.25156	2.5
339.23282	4.5
347.22470	2.8
349.24011	6.5
366.23453	2.7
367.22733	6.5
369.24280	3.0
385.23660	3.7
389.28647	3.3
391.25217	2.8
405.27365	2.9
445.31097	3.5
511.33618	2.6
513.36548	3.6
515.38550	11.7
527.37689	3.5
533.39722	8.9
537.35358	2.9
553.39264	3.3
571.36426	3.3
572.36499	11.5
573.36267	2.6
589.42303	5.2
605.41296	4.9
607.43475	100.0
608.44019	10.2
619.43298	3.1
623.41821	3.1
625.44342	6.0
649.43628	3.7
653.39886	4.3
671.41681	5.7
679.44501	2.8
715.46106	4.6
733.46356	8.9
751.47284	11.0
769.48718	49.4
770.48712	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	768.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.4
56.05016	0.8
57.02410	0.6
58.99579	5.2
60.75529	0.6
64.98384	0.6
65.03928	3.0
67.05481	1.8
70.02934	0.6
70.06585	3.2
70.88219	1.7
72.08149	0.8
75.04481	4.5
76.02219	36.2
76.04018	1.2
78.04705	3.7
79.05474	2.8
81.06996	1.1
84.03996	0.9
84.04493	11.0
84.08112	1.3
84.80213	0.6
85.02896	4.3
86.09694	1.3
86.99026	1.7
88.02211	0.6
89.03891	1.4
89.05994	1.6
91.04921	1.0
91.05471	15.2
93.03394	15.8
93.07040	6.5
95.04955	7.1
97.06514	3.7
103.05463	8.3
105.03344	0.7
105.04496	1.0
105.07022	3.0
106.04160	35.5
107.04924	1.7
109.06487	1.2
110.07130	1.2
111.04401	1.1
114.03800	0.7
116.00856	0.7
116.01669	10.6
117.03337	1.3
119.04942	1.5
121.02827	0.7
121.06493	39.2
123.04430	1.9
123.08109	0.7
124.05145	1.1
125.05977	9.9
129.10216	0.7
130.04987	5.8
131.04893	2.2
133.06471	1.4
134.03621	6.3
135.04384	1.8
135.08023	0.7
137.05956	5.8
138.06708	1.0
139.07520	2.8
141.04805	0.8
142.03218	3.8
144.01147	5.3
145.02817	0.9
148.05176	2.7
149.05963	53.8
151.03911	0.9
151.07518	3.4
153.05479	2.0
153.09088	14.0
161.06061	0.9
162.02200	17.4
163.07544	4.4
165.05528	0.8
166.06212	2.1
167.07056	5.3
170.02658	1.7
177.05458	25.8
179.04828	33.9
181.08580	25.2
187.05406	1.1
190.00865	1.0
191.06967	4.5
192.06485	1.4
193.08575	1.2
207.08839	3.5
208.01929	1.3
209.08064	100.0
210.08435	1.4
211.09622	1.5
215.04799	1.0
223.04210	15.2
233.05824	8.4
243.06421	0.6
245.05853	1.3
249.05820	1.2
251.09120	6.7
256.01041	0.6
257.04266	0.7
266.08478	1.5
275.09109	1.2
277.05243	1.4
285.04044	1.0
291.06299	1.4
294.07797	1.0
302.62473	0.8
303.04767	1.0
308.09067	48.9
309.09570	0.8
369.10822	4.9
401.15942	1.6
423.12183	0.9
435.67538	0.6
451.14188	0.6
498.15244	1.0
548.46252	0.6
609.13641	0.9
698.69348	0.8
704.78650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
57.03405	0.7
69.63536	1.8
69.63950	0.6
70.06567	0.5
71.14079	0.3
81.03374	1.0
81.07000	0.3
85.02908	1.3
89.03888	1.1
97.02877	0.8
98.12329	0.2
99.04430	0.3
107.01293	0.7
109.02872	1.3
111.22566	0.3
117.03358	3.0
117.87717	0.3
121.02827	0.4
121.81457	0.2
145.01678	0.4
145.02823	7.4
149.05954	0.8
153.01799	1.2
155.04852	0.3
163.03798	0.4
169.02827	0.4
171.04350	0.5
177.05441	19.0
183.04358	0.7
187.03864	0.5
197.05902	0.7
201.05403	0.8
209.05867	0.3
211.03862	2.0
215.03311	0.3
217.04852	0.3
218.63435	0.3
219.02954	1.4
221.05951	1.0
225.05450	2.7
227.03433	0.3
229.04980	2.9
231.02913	0.4
239.03311	1.3
241.04878	0.5
243.02757	0.6
245.04492	2.0
249.05440	0.5
253.04968	1.8
256.03604	0.4
257.04422	20.5
258.04840	0.8
260.03131	3.8
261.03882	6.0
263.01840	2.0
267.02863	1.5
267.06403	0.5
269.04538	0.7
271.02722	0.4
271.05991	7.5
273.03897	100.0
274.04517	5.3
275.05475	0.5
277.04953	1.0
281.04437	3.3
283.06067	0.4
284.03073	0.6
285.03928	12.3
285.07385	1.2
286.04312	0.7
287.01764	0.9
287.05423	1.5
293.04388	0.5
295.06009	3.3
297.03854	3.1
298.04553	1.1
299.01917	2.4
299.05429	25.6
300.05664	0.7
301.03397	0.5
303.04953	65.3
304.05319	1.7
305.04489	0.7
310.04843	0.3
311.05450	2.2
313.03433	0.6
313.07004	7.2
315.05139	0.4
321.09656	0.6
323.05457	4.6
325.03247	1.2
327.04950	36.2
328.05267	0.9
339.04971	14.1
339.10614	0.9
340.05182	0.4
341.06476	1.5
351.04935	10.9
352.04956	0.6
357.06012	23.7
358.06592	0.8
369.06021	19.2
370.06528	0.4
377.08798	0.3
387.07065	20.8
388.07468	0.8
405.08112	36.6
406.08475	1.1
423.09186	4.4
524.08221	0.3
589.49591	0.3
611.13696	0.6
641.15033	0.8
743.18127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01859	9.4
55.05504	17.0
57.03424	9.4
57.07052	1.8
61.02903	2.5
65.03922	2.1
67.05492	53.6
69.03416	5.3
69.07059	22.5
71.04978	4.8
73.02902	2.7
79.05479	34.4
81.03419	10.0
81.07043	60.3
83.04971	10.2
83.08607	9.9
85.02888	4.3
85.06527	6.9
86.09705	4.0
91.05460	41.4
93.07030	33.5
95.04958	12.3
95.08591	19.7
96.08911	1.5
97.02882	4.2
97.06519	8.6
97.10155	7.0
99.08084	2.5
105.07007	42.4
107.04946	6.4
107.08575	41.4
108.08915	1.6
109.06522	13.3
109.10139	45.9
111.08088	3.8
113.05940	3.9
117.07016	8.9
119.08568	17.8
121.06477	4.3
121.10134	7.9
123.08038	5.6
123.11703	9.6
124.99991	2.9
125.09597	5.1
127.03969	1.5
129.07001	2.3
131.08539	8.3
133.06438	2.1
133.10107	65.0
135.08011	2.1
135.11687	5.7
137.09610	2.2
143.08604	2.3
145.10106	9.6
147.11635	7.4
149.09627	5.9
149.13242	3.5
151.11148	33.2
155.08531	2.6
157.10092	3.6
159.11583	7.5
161.09615	5.6
161.13170	1.6
163.11182	5.6
163.14862	1.9
169.12228	3.9
171.11659	3.0
173.13196	3.1
177.12709	2.9
179.10698	3.1
184.07382	8.2
189.11191	3.7
197.11758	2.0
215.12703	3.7
227.12801	5.4
239.18053	2.4
247.20491	1.6
253.14310	100.0
254.14726	2.8
257.18948	4.6
269.17413	4.9
271.15353	41.2
275.20004	36.1
291.19403	2.3
293.21072	6.3
349.23721	17.2
356.09479	1.6
367.24747	7.5
423.23804	2.6
451.26956	6.5
465.28339	23.8
482.13611	1.7
527.33795	3.0
545.34595	46.2
546.35229	3.2
563.27582	2.8
563.35608	18.1
761.39911	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	760.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01862	6.6
55.05510	15.9
57.03427	12.1
57.07061	2.6
59.04979	1.9
59.75689	1.7
59.90445	1.9
61.02897	2.3
63.24484	1.9
65.03922	3.1
67.05494	59.8
69.03429	4.3
69.07052	27.0
71.04977	7.9
71.70391	4.1
73.95570	1.9
79.05482	37.2
81.03397	7.4
81.07041	94.9
82.07377	2.8
83.04988	9.1
83.08608	12.4
85.02882	5.2
85.06535	7.1
86.09711	2.6
91.05464	56.0
93.07032	35.6
95.04935	13.3
95.08588	23.9
97.06513	8.7
97.10149	3.7
99.04458	4.7
99.08102	2.8
105.07011	46.5
105.07709	3.2
107.04945	8.8
107.08574	41.7
109.06503	25.7
109.10138	54.9
111.08096	3.8
113.06024	4.4
116.29636	1.9
116.64515	2.3
117.07001	8.3
119.08546	22.6
120.94587	1.6
121.06490	3.4
121.10142	10.9
123.08044	5.4
123.11670	14.0
125.09588	4.0
127.07533	3.1
131.08536	14.6
133.10103	71.2
135.08072	4.2
135.11687	7.1
137.09663	2.5
143.08502	5.2
145.10103	7.2
147.11650	13.7
149.09601	7.7
149.13255	6.3
151.11153	34.2
157.10114	4.2
159.11725	8.1
161.09593	5.7
161.13257	3.3
163.11133	4.9
163.14848	2.0
169.12239	6.0
171.11623	2.1
173.13225	3.1
175.11121	4.3
177.12718	2.4
183.11673	3.1
184.07332	4.6
187.11194	3.6
187.14851	2.1
196.13051	2.3
210.82909	2.0
215.12796	4.0
229.19417	2.8
247.20695	2.9
253.14313	100.0
257.18793	4.9
271.15356	69.8
275.20016	56.7
293.20999	13.4
324.46481	2.4
349.23703	25.0
367.24768	28.1
465.28754	3.8
471.64346	2.1
527.32806	2.4
545.34601	69.5
563.35742	69.2
760.38519	3.1
760.99817	2.4
761.40118	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	758.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01848	7.8
55.05234	2.0
55.05500	29.2
57.03423	12.4
57.07073	2.9
65.03922	3.1
67.05493	75.3
69.03401	6.2
69.07058	34.2
70.96717	4.1
71.04964	7.6
71.08600	3.1
71.84216	1.8
79.05484	55.8
81.03398	11.1
81.07041	100.0
83.04958	15.4
83.08602	24.3
85.02877	5.6
85.06523	6.7
86.34744	1.8
91.04922	2.7
91.05461	39.7
93.07030	79.0
95.04963	16.3
95.08590	33.4
97.02856	3.8
97.06515	19.3
97.10169	10.0
99.08063	3.3
105.07014	29.6
107.04932	8.5
107.08575	51.4
108.08855	1.9
109.06507	10.2
109.10139	15.2
111.04453	2.3
111.08054	8.7
113.06037	2.1
115.05445	3.0
117.07002	19.3
119.08567	19.8
121.06503	6.1
121.10118	27.6
123.07987	2.2
123.11684	5.6
125.09605	8.9
129.06941	4.5
131.08551	21.4
133.10101	29.8
135.08028	6.0
135.11664	17.8
139.11108	1.9
141.06950	3.5
142.68382	1.7
143.08569	5.0
145.10083	12.9
147.11639	13.9
149.09604	17.2
149.13240	29.6
151.11188	4.8
153.06924	1.8
157.10080	7.2
159.11670	25.4
161.13240	4.9
163.11124	8.2
165.12695	1.7
169.10101	2.5
171.11668	2.9
173.04305	2.2
173.13239	5.5
175.11234	2.6
175.14751	2.0
177.12701	7.6
179.14243	2.3
181.22952	1.7
183.11703	1.8
189.11180	3.7
193.12170	2.2
195.13748	17.3
211.13120	2.3
213.14828	2.8
223.13298	4.5
227.12737	14.9
239.17990	4.2
247.20482	2.4
251.16376	2.0
255.15921	4.7
257.18954	9.2
267.15884	2.1
269.17444	95.0
270.17706	2.8
271.15527	1.9
275.20044	38.5
285.16760	3.2
293.21066	6.1
331.22775	3.8
333.23749	2.2
349.23734	27.6
353.36633	2.1
365.23270	2.7
367.24820	4.7
410.47269	1.7
413.21567	2.2
423.27383	4.3
439.27106	3.3
445.29221	1.8
449.28848	20.7
463.23895	3.8
463.30496	77.5
464.30927	2.8
525.35431	2.4
543.36737	59.3
544.36389	2.9
561.37781	23.8
580.33649	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	758.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.24379	0.6
54.97211	0.6
55.01880	0.7
55.05500	18.2
56.32228	0.6
57.03199	0.6
57.03431	6.9
57.07070	3.7
59.04987	1.5
61.02920	4.3
65.03933	3.2
65.04215	0.5
67.05493	71.8
69.03413	2.4
69.07056	13.6
69.99946	1.3
70.00353	3.0
71.04980	23.6
73.02898	1.1
77.03893	1.0
79.05479	37.0
80.63172	0.6
81.03411	1.8
81.07041	100.0
82.07375	0.8
83.04977	3.5
83.08604	7.7
85.02895	2.5
85.06532	7.9
87.04480	0.6
91.03960	0.9
91.05464	29.5
93.07028	43.7
95.04953	4.7
95.08588	28.4
97.02869	1.8
97.06508	5.1
97.10147	2.0
99.08083	1.6
105.04590	0.6
105.07011	15.7
107.08579	22.2
109.06503	2.2
109.10143	12.5
111.08067	1.7
117.06985	5.3
119.08556	9.1
121.10123	14.6
123.08025	1.1
123.10830	0.4
123.11684	13.7
131.08548	10.3
133.10107	19.2
135.08089	0.8
135.10648	0.7
135.11667	10.6
137.09598	0.6
139.11096	1.4
143.08551	1.3
145.10092	5.6
147.11678	4.0
149.13210	5.4
151.11165	6.3
157.10139	1.3
159.11687	6.1
161.13203	3.1
169.12189	1.6
171.11679	1.3
173.13194	3.5
175.14789	1.6
177.12744	2.4
183.13832	2.7
185.13153	1.0
187.13268	3.5
187.14783	1.2
195.13777	1.4
201.14772	1.4
201.16409	0.8
227.16408	2.1
241.56554	0.6
243.15945	1.2
243.21046	1.4
253.17873	0.7
257.17474	2.0
261.22128	2.9
264.12970	0.7
269.17374	6.9
301.20041	19.1
302.20313	0.8
335.25735	22.2
336.26184	0.7
411.32574	2.0
437.33832	0.9
454.72623	0.7
485.35959	2.3
503.37222	88.2
504.37598	4.8
511.37741	1.3
517.38660	4.8
529.38818	16.4
561.41425	80.7
562.41736	4.4
707.37018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01863	4.1
55.05500	20.0
57.03425	11.5
57.07065	1.5
61.02915	2.6
65.03928	2.6
67.05492	64.9
68.05829	3.2
69.03410	10.7
69.06684	1.6
69.07057	25.3
70.03737	1.1
71.01328	0.7
71.04978	6.7
71.08616	1.1
71.16225	1.7
73.02895	1.2
79.05479	43.0
80.05814	2.0
81.02935	1.5
81.03403	26.2
81.03880	1.3
81.07040	100.0
82.03747	2.1
82.07381	4.0
83.04966	7.1
83.08604	16.9
84.08963	0.7
85.02870	3.5
85.06524	4.5
91.03968	0.9
91.05464	33.3
92.05802	1.4
93.07027	54.9
94.07361	3.5
95.04955	10.4
95.08588	35.1
95.09203	1.5
96.08928	2.5
97.02868	5.8
97.06514	11.7
97.10164	3.3
99.04441	3.7
99.08083	4.1
102.05947	0.7
103.03941	1.3
105.04542	1.5
105.07011	24.8
106.07364	1.3
107.04940	7.5
107.08569	32.3
108.08881	1.5
109.02842	3.4
109.06491	15.9
109.10127	12.3
110.10476	0.9
111.04406	0.9
111.08072	5.4
111.11712	0.7
113.09648	0.9
115.05431	1.2
117.07005	10.3
118.07300	0.9
119.08557	19.7
120.08832	1.2
121.06483	2.8
121.10123	26.5
122.10451	1.6
123.08071	3.7
123.11690	8.1
125.09615	2.0
127.03894	7.3
127.07582	0.9
129.06982	3.0
131.08551	15.2
132.08929	1.2
133.06548	0.9
133.10107	18.0
134.10497	1.3
135.08054	2.8
135.11664	14.3
137.09645	2.1
139.11194	1.3
141.07021	1.1
143.08557	2.4
145.10098	9.3
146.10448	0.8
146.65323	0.6
147.08032	0.9
147.11664	14.7
148.12070	1.3
149.09593	6.0
149.13232	22.7
151.11180	2.3
155.08502	0.8
157.10121	3.1
159.11670	14.4
161.09641	1.0
161.13260	4.0
163.11148	4.9
163.14827	2.3
165.12704	3.3
169.10045	1.0
171.11696	1.3
173.09689	1.1
173.13252	4.4
175.11119	1.9
175.14769	1.7
176.15248	0.9
177.12730	5.7
179.14253	2.0
183.11763	1.1
185.13228	1.2
187.11221	0.9
187.14815	1.5
189.12714	0.7
189.16277	0.9
189.82178	0.6
191.14217	0.8
193.12080	1.2
195.13751	7.7
197.13327	0.7
213.14716	1.1
227.12759	1.0
229.19476	1.6
239.17934	1.5
247.20535	1.7
257.19022	3.0
259.20514	1.1
261.22180	4.0
262.22446	1.9
267.15912	1.0
269.17432	75.2
270.17917	1.7
275.20010	33.4
276.20343	1.1
277.21524	0.8
285.17294	0.8
293.21042	7.1
333.06821	0.7
335.25729	13.9
336.26080	10.6
349.23669	19.3
350.23837	1.2
363.25174	7.5
363.28891	0.9
364.25491	6.1
367.24713	15.1
379.24719	0.8
406.26682	0.8
417.30075	2.2
449.29190	3.1
463.30499	10.2
525.35822	2.4
543.36725	70.6
544.36755	3.4
561.37762	45.2
562.38177	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	756.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01856	8.6
55.05500	31.6
57.03427	15.2
63.43247	2.2
65.03896	3.2
65.37421	2.3
66.09974	2.2
67.05138	3.1
67.05495	56.0
68.44708	2.7
69.03425	3.7
69.07047	21.7
71.04977	6.6
79.05481	73.3
79.63120	2.9
81.03385	12.3
81.07038	69.3
81.63357	2.3
83.04974	11.3
83.08601	17.6
83.52439	2.7
84.92044	2.4
85.02882	4.9
85.06500	4.1
91.05460	65.1
93.07030	90.4
95.04942	17.7
95.08588	59.0
97.02860	7.1
97.06512	10.5
97.10174	4.1
99.04452	5.5
99.08096	3.0
105.07005	69.0
107.04945	16.2
107.08566	54.5
109.06493	11.1
109.10126	14.5
111.04402	7.8
111.08076	5.2
113.09718	2.6
117.06993	28.5
119.08549	57.9
120.08881	2.4
121.06493	10.3
121.10129	29.5
122.10416	2.6
123.08012	4.3
123.11696	3.4
129.06990	11.1
129.22038	2.7
130.07776	2.8
130.40007	2.5
131.08565	24.4
133.06360	3.5
133.10114	41.4
135.08031	7.9
135.11661	57.6
139.07535	3.6
143.08542	8.1
145.10085	40.7
147.07953	2.9
147.11664	35.9
149.09625	3.4
149.13248	8.5
155.08458	4.7
157.10136	12.9
159.08047	2.5
159.11664	14.3
161.13226	20.8
163.11156	62.8
163.12459	4.5
163.14719	2.6
164.11349	2.6
171.11679	7.5
173.09618	3.3
173.13268	8.6
175.11191	5.0
175.14763	7.6
181.12218	12.3
185.13255	7.3
187.14821	3.5
197.13344	2.7
199.14807	4.8
227.12724	80.1
228.13060	3.4
231.21112	4.4
241.19414	22.1
259.20532	69.1
260.20651	2.4
267.15887	4.8
273.18536	3.2
275.20084	13.6
276.20187	3.4
281.17609	2.7
283.15353	69.1
285.17001	2.7
315.23111	7.0
333.24176	100.0
334.24564	3.4
337.61478	2.4
349.23593	5.6
350.23984	3.2
351.24921	3.1
467.31769	3.2
541.35187	53.4
542.34845	3.1
559.36285	23.9
576.37646	2.6
577.37311	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	754.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.5
55.01860	3.9
55.05505	25.2
55.98737	2.7
56.94624	2.2
57.03419	11.1
57.07064	2.8
57.53530	2.9
64.43857	2.3
64.96602	2.2
67.05495	73.5
69.03407	4.5
69.07055	23.1
71.04982	3.3
73.06532	2.8
79.05020	4.6
79.05480	93.8
79.54784	2.6
81.03392	10.1
81.07046	68.5
81.64134	2.4
83.04968	13.2
83.08608	10.8
85.02885	3.8
85.06506	5.1
91.05465	93.9
93.07032	100.0
95.04954	21.8
95.08594	42.6
97.06522	5.9
97.10175	4.8
99.08095	6.1
105.04534	2.9
105.07013	86.8
105.07720	4.2
106.07265	2.9
107.04923	11.2
107.08577	39.0
109.06493	10.4
109.10138	16.6
111.08065	5.8
117.06993	24.6
119.07736	4.8
119.08563	61.2
121.06466	4.2
121.10133	21.7
123.08048	6.8
123.11671	4.0
128.06190	6.2
129.06985	21.7
131.08545	22.1
133.10109	47.1
135.11696	16.7
143.08554	18.6
145.06563	2.9
145.10127	26.5
147.07977	3.9
147.11665	68.5
149.09599	4.0
149.13213	8.8
155.08521	5.2
157.10120	14.6
159.11707	21.4
161.09641	4.8
161.13243	38.0
163.11153	3.6
163.14798	4.0
171.11658	38.4
173.13216	13.7
175.14780	19.5
177.12782	3.1
185.13229	7.0
187.11266	3.0
187.14725	4.3
189.12701	10.9
199.14804	6.6
207.13760	23.3
231.21115	7.2
239.18007	3.5
241.14238	3.3
241.19461	38.1
257.18930	4.4
259.20560	78.5
260.20786	3.6
261.22116	3.2
277.21579	2.7
279.15860	20.1
281.17426	79.9
282.18027	2.6
297.16888	3.7
313.21307	3.2
315.23239	9.9
333.24188	65.9
429.30304	2.9
447.32401	6.2
465.33246	6.5
483.34732	5.4
521.36371	4.8
539.37225	84.4
540.37378	7.5
557.38477	24.7
580.89215	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	752.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
54.23072	0.7
55.01861	11.2
55.05500	13.6
57.03416	3.3
57.07052	1.3
65.03903	1.8
67.05493	32.2
68.28102	0.8
69.03407	1.4
69.07057	16.0
69.55466	7.4
71.04970	1.9
79.05477	32.8
81.03397	6.5
81.07043	38.1
83.04974	7.2
83.08619	5.3
85.02872	0.9
85.06510	1.2
91.05462	36.3
93.07028	28.1
95.01308	5.3
95.04951	11.9
95.08588	20.4
97.02892	0.9
97.06509	20.4
97.10114	1.4
99.08035	1.6
103.05436	1.3
103.92844	0.9
104.88988	0.9
105.07011	44.9
105.67424	0.8
107.04938	10.4
107.08567	9.5
109.06506	5.1
109.10126	4.3
111.08031	2.6
113.09563	1.1
115.05428	1.1
117.06989	9.0
119.08563	25.3
121.06476	2.1
121.10082	4.5
123.04420	1.1
123.08073	4.0
123.11671	0.9
129.06967	7.6
131.07637	1.2
131.08546	11.7
133.06435	1.3
133.10106	22.5
135.08038	2.6
135.11662	3.7
137.09579	1.5
139.07513	1.9
141.06926	1.6
142.07811	1.0
143.08569	4.2
145.06476	1.2
145.10118	11.2
147.08044	2.1
147.11652	17.7
149.09564	3.7
149.13274	2.0
151.11177	1.2
157.10097	2.0
159.11658	4.9
161.09567	1.1
161.13239	5.8
163.11147	3.5
165.09119	1.9
169.10097	1.6
171.11691	8.6
173.13203	2.7
175.11127	0.9
177.12708	1.7
179.14275	6.4
183.11572	1.5
187.11177	2.1
189.12727	3.0
197.13208	1.4
207.13768	5.0
239.17958	1.3
247.20670	1.4
257.19006	1.8
263.16589	1.1
275.20023	41.0
275.23022	2.1
276.20438	0.9
279.15790	3.6
281.17435	31.0
281.20563	1.8
293.21008	4.5
349.23660	15.8
377.23355	1.1
427.38617	1.0
487.15634	0.9
537.35541	2.0
555.36725	100.0
556.36920	5.6
573.37488	1.3
684.91913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.4
57.03423	11.0
57.06802	1.7
57.07066	31.7
59.38058	1.4
61.02909	5.6
63.61457	1.4
65.03924	1.6
67.05492	31.6
69.03400	3.2
69.07062	14.1
69.95216	10.3
71.04979	2.9
71.08619	19.3
74.09708	1.4
75.02269	1.3
79.05486	23.6
81.03395	3.1
81.07039	36.6
83.08591	10.6
85.02882	6.8
85.06508	2.0
85.10171	13.3
87.04447	1.8
89.04220	1.4
91.03940	2.1
91.05466	28.9
91.35639	1.8
93.07035	23.7
95.04945	4.1
95.08589	34.8
97.02863	4.5
97.10139	5.1
98.20752	1.8
99.08032	2.4
105.06329	2.7
105.07008	36.1
107.04960	2.1
107.08579	19.8
109.06486	3.5
109.10139	12.5
111.11726	1.7
117.06990	11.7
119.08559	33.5
121.06460	1.7
121.10085	14.1
123.11685	5.3
129.06946	8.1
131.08560	18.2
133.10103	31.3
135.11694	12.4
137.09563	2.3
137.13258	1.8
141.06995	3.4
143.08553	6.8
145.10100	19.4
147.08005	2.2
147.11656	29.1
149.09619	2.3
149.13275	8.8
155.08543	2.9
157.10135	9.0
159.11656	16.3
161.09624	2.2
161.13228	26.3
163.11182	2.6
163.14777	3.2
163.91983	1.5
167.08543	2.8
169.10124	2.3
171.11632	11.3
173.13298	9.5
175.11031	1.8
175.14806	9.8
181.10135	1.8
183.11697	2.3
185.13216	11.7
187.14828	4.9
189.12929	2.0
197.13245	2.9
199.14726	5.5
209.13181	2.5
213.16298	2.8
217.19461	1.6
231.20985	5.0
239.23749	2.7
241.19501	32.8
257.18912	3.5
259.20532	77.9
271.20572	2.3
275.20197	2.2
277.21423	3.2
285.22180	1.9
301.21548	4.2
313.27313	100.0
315.23181	3.2
333.24161	45.4
343.22540	2.2
349.21332	2.5
351.25009	2.0
367.22580	6.4
375.25217	2.4
385.23663	5.0
403.24658	5.5
441.26111	2.9
459.27844	2.2
495.28857	2.8
571.47186	12.0
587.46246	5.0
589.39252	2.8
589.48029	27.8
601.47675	3.1
613.48688	2.5
655.48187	2.0
667.48737	2.5
679.48816	7.1
697.49664	3.1
715.51050	2.9
733.52142	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	750.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01862	0.8
60.04505	0.4
61.02908	0.7
65.03919	0.9
67.05479	0.6
70.06596	0.7
70.79856	1.1
72.08142	0.5
75.04466	1.9
76.42783	0.3
77.03936	0.4
78.04694	2.5
79.05483	2.2
81.07040	0.6
85.02901	1.5
89.03909	0.5
89.05996	0.4
91.05468	4.7
93.03392	4.2
93.07031	2.8
94.04174	0.6
95.04946	2.5
95.08625	0.4
97.02855	0.4
97.06499	1.5
103.05457	3.2
105.03392	0.4
105.04518	0.5
105.07032	2.8
106.04157	10.8
107.04952	2.3
107.08586	0.4
109.06480	0.7
109.10143	0.3
111.04398	0.4
112.73402	0.3
115.05427	0.7
118.04116	0.7
119.04912	0.6
119.08581	0.4
121.06485	10.9
123.04402	3.1
124.05180	1.9
125.05985	3.2
131.04916	3.2
133.06459	2.6
134.03609	1.7
135.04384	1.2
135.08043	0.5
137.05948	1.8
138.06699	0.6
139.07532	1.4
145.02884	0.4
145.10143	0.5
147.04359	0.4
148.05191	1.6
149.05957	18.2
151.03862	0.9
151.07518	1.6
152.04665	1.0
153.05464	0.7
153.09097	5.0
158.02718	0.4
161.05960	4.6
162.01300	0.8
163.03920	1.1
163.07506	1.8
165.05559	0.4
166.06171	0.6
167.07014	100.0
168.07367	1.4
173.05865	0.4
176.04654	0.4
176.08299	0.9
177.05438	13.0
177.09019	0.5
179.01613	0.4
179.06993	0.7
181.04915	1.4
181.08556	9.5
182.05226	0.4
189.09113	0.7
190.00789	0.9
191.06996	7.6
192.07446	0.8
193.06987	0.5
193.08600	6.8
197.98647	0.3
208.01862	0.5
209.08054	52.5
210.08470	1.0
211.09619	4.1
217.08553	0.6
223.02150	0.6
223.04207	7.0
223.09526	0.5
235.09634	0.9
265.10690	1.6
285.03790	1.0
303.05035	0.5
304.05298	0.4
311.09027	0.7
312.08960	6.1
313.09326	0.5
330.09781	0.4
383.14746	0.7
390.26001	0.4
408.27255	1.3
419.16507	0.4
435.08887	0.3
570.31885	0.7
588.31836	0.6
590.92841	0.3
593.23993	0.4
688.24091	0.4
749.34705	0.6
750.35938	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	750.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	1.0
61.02921	0.3
65.03928	1.1
67.05494	0.8
70.06577	0.6
71.70590	0.3
71.70961	0.4
75.04476	1.3
77.03935	0.4
78.04693	1.8
79.05473	1.6
79.91470	0.2
81.03399	0.5
81.07059	0.5
83.26859	0.2
85.02906	1.5
85.06544	0.2
86.09703	0.3
89.03902	0.4
89.06026	0.4
91.04913	0.4
91.05460	4.6
93.03393	4.3
93.03931	0.4
93.07031	2.4
95.04945	2.6
97.06522	0.9
103.05452	3.3
105.03373	0.3
105.07018	2.5
106.04153	10.0
107.04978	2.2
108.05743	0.2
109.06507	0.4
111.04421	0.4
115.05418	0.6
117.03412	0.3
118.04118	0.6
119.04935	0.4
121.06484	11.8
122.03638	0.3
123.04404	4.4
123.08045	0.4
124.05201	1.9
125.05966	2.6
129.06943	0.2
129.10229	0.2
131.04897	2.9
133.02823	0.3
133.06474	2.2
134.01944	0.2
134.03600	1.8
135.04422	1.1
135.07996	0.2
135.85225	0.2
137.05963	1.6
138.06689	0.6
139.07510	1.0
145.02838	0.8
145.06393	0.4
146.18799	0.2
147.04350	0.5
148.05128	1.6
149.05957	18.5
150.06329	0.6
151.02116	0.3
151.03915	1.0
151.07515	1.7
152.04680	1.2
152.05875	0.2
153.05464	0.6
153.09077	5.0
158.02661	0.4
159.04417	0.6
161.04704	0.3
161.05960	3.8
162.01340	0.7
162.06601	0.3
163.03842	1.0
163.07532	2.1
165.05537	0.4
165.09074	0.3
166.06265	0.6
167.07008	100.0
168.07346	2.4
176.04636	0.4
176.08296	1.0
177.05446	12.0
177.08868	0.5
178.05927	0.4
179.01666	0.3
179.07004	0.8
180.07774	0.4
181.04932	0.8
181.08562	8.5
182.05273	0.3
183.78452	0.2
189.09116	0.3
190.00789	0.6
191.06998	7.6
192.07498	0.8
193.08586	6.4
194.08942	0.3
195.06474	0.3
207.06551	0.3
207.08739	0.3
208.01968	0.4
208.05060	0.3
209.08054	47.4
210.08417	2.0
211.09647	3.5
217.08563	0.2
219.10146	0.2
223.04193	7.2
223.09709	0.5
225.05649	0.5
226.06520	0.7
235.09673	0.9
236.69070	0.2
239.07440	0.3
240.07591	0.3
253.10699	0.4
257.04315	0.5
265.10730	1.6
268.07434	0.3
273.03922	0.3
285.03986	1.0
299.09100	0.4
303.04892	0.7
311.09061	1.0
312.08963	7.2
313.09702	0.7
315.08728	0.4
329.10107	0.9
339.12363	0.3
351.12250	0.3
369.05884	0.3
383.14767	0.8
401.16071	0.3
408.27225	0.5
419.16721	0.3
493.15640	0.2
519.38458	0.2
522.17792	0.5
562.94910	0.2
750.35840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.0
55.01854	8.1
55.05491	9.3
57.03419	10.0
60.68744	2.2
65.81033	2.3
67.05490	38.0
69.03404	4.4
69.07046	11.1
71.37192	2.2
71.70536	3.8
73.66239	2.3
79.05479	47.0
79.98412	2.9
81.03378	14.0
81.07040	49.8
83.04974	5.2
83.08601	6.3
85.06523	4.6
91.05464	32.4
93.07014	28.2
95.04947	15.6
95.08591	17.2
97.02876	6.0
97.06529	5.2
97.10118	4.9
105.07028	19.3
107.04942	11.1
107.08574	11.8
109.02885	2.5
109.06509	23.1
109.10144	7.3
115.05427	3.9
117.06985	11.0
117.44825	2.7
119.08546	14.1
120.09167	2.5
121.02888	3.4
121.06489	8.8
121.10126	7.2
123.04343	3.0
123.08041	6.2
125.09633	3.1
129.06985	6.3
131.08540	11.1
133.06479	4.7
133.10077	9.1
135.08054	15.3
135.11659	7.8
143.08537	6.2
145.10059	7.6
147.07991	5.7
147.11615	3.5
149.09604	6.3
149.13225	4.3
153.01776	3.2
157.10086	5.6
159.11691	7.1
161.09572	5.3
163.11160	3.4
175.11174	3.6
177.12672	5.1
215.03435	2.6
217.15543	2.9
227.03336	4.9
229.04868	3.8
241.04907	4.3
245.04416	4.8
255.03061	2.8
257.04364	7.7
259.02438	17.0
261.03888	18.5
266.11969	2.8
269.04251	6.0
271.02380	28.8
271.05484	4.1
272.02917	4.0
273.03836	21.1
273.18503	4.8
275.01822	6.1
277.21625	3.3
281.04379	4.7
283.02161	4.0
284.02902	5.2
285.03915	21.4
287.01837	13.5
287.05423	14.4
289.03360	69.4
290.04013	6.2
297.03928	17.6
298.04752	3.8
299.01764	25.8
299.05371	7.3
300.02548	16.7
301.03372	73.2
302.88434	3.3
305.21088	4.3
309.03967	5.9
311.05521	6.8
313.03342	22.0
313.06622	5.2
314.04092	10.6
315.04941	15.6
315.08310	4.8
317.02869	14.4
319.04437	4.4
325.03366	7.1
327.04950	13.3
329.06360	3.6
337.03198	6.6
339.04910	6.1
341.02719	9.3
341.06512	6.0
343.04407	6.8
343.08173	8.5
353.02747	6.5
353.06586	6.0
355.04352	12.4
365.02924	8.6
366.03732	6.7
367.04263	12.9
369.09683	2.9
371.07590	3.5
383.03937	36.1
384.04767	7.0
385.05304	7.2
516.26447	3.0
533.21265	3.6
545.21515	6.6
561.20941	6.1
573.21069	52.5
591.22137	77.6
592.22461	3.4
593.23596	44.8
594.23608	3.3
597.21136	5.4
605.23767	11.7
615.21777	13.9
623.24701	100.0
624.25128	4.5
639.22046	4.6
647.24738	83.7
648.24365	5.9
657.22894	10.7
659.24847	14.7
671.24518	16.1
689.25946	26.7
707.26923	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	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.1
55.01864	3.8
55.05505	23.4
57.03429	17.5
57.07059	5.5
61.02914	8.1
62.09387	1.5
65.03919	4.9
67.05495	91.8
69.03407	5.8
69.07061	24.2
71.04971	6.0
71.08633	2.7
73.02917	2.0
79.05482	64.5
80.05785	1.9
81.03407	9.8
81.07044	95.0
83.04971	12.0
83.08598	10.1
85.02899	7.3
85.06531	4.6
91.03919	3.5
91.05467	57.7
93.07034	61.9
95.04952	24.6
95.08594	56.8
95.09200	3.2
96.08910	1.9
96.85633	1.6
97.02879	3.4
97.06515	9.0
97.10178	3.2
99.04410	2.7
99.08091	2.8
101.06026	2.0
105.04441	1.8
105.07019	38.9
107.04955	2.8
107.07913	2.4
107.08580	30.3
109.06501	12.3
109.10141	20.4
111.08077	3.6
113.05997	3.2
117.07017	8.4
119.08566	26.0
121.10132	23.9
123.08041	5.7
123.11685	6.2
129.06985	9.2
131.08546	20.6
133.06474	1.9
133.10121	24.5
135.08061	3.6
135.11665	16.9
137.09618	3.2
137.13272	2.7
142.07722	4.0
143.08559	1.9
145.10085	9.7
147.08011	1.6
147.11659	17.9
149.09607	2.7
149.13246	5.3
151.11189	5.8
153.12758	2.1
157.10129	7.9
159.11662	7.5
161.13268	4.2
163.11157	3.5
163.14778	3.5
165.12712	4.3
171.11639	1.6
173.13269	5.3
175.11186	8.3
175.14772	2.0
177.12733	2.2
187.13206	1.7
187.14880	3.8
193.12239	8.4
211.13254	4.4
227.12614	3.0
243.20996	4.9
260.54895	2.0
261.22205	11.4
267.15814	6.4
277.21606	3.0
283.15356	4.4
285.16931	73.8
286.17316	3.2
317.24765	3.6
335.25742	100.0
336.26108	4.0
337.27274	4.2
364.83688	1.5
453.33813	3.8
471.34528	2.3
503.37088	2.1
527.37354	5.7
545.38312	48.5
546.38849	3.3
563.39508	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	742.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01865	8.5
55.05505	18.0
57.03434	16.3
58.70214	1.0
59.04976	1.1
61.02919	11.1
65.03931	2.9
67.05138	2.2
67.05497	40.7
69.03423	8.5
69.07061	27.0
70.06586	3.6
71.01339	1.8
71.04973	10.8
71.10104	3.0
73.02903	6.9
76.09863	1.2
77.03944	1.3
79.05482	35.9
81.03412	16.8
81.07046	55.0
83.04975	11.3
83.08604	13.9
84.08126	1.9
85.02890	17.3
85.06509	2.1
86.09704	1.7
91.03943	8.3
91.05466	27.0
93.07031	30.8
93.07585	2.1
95.04964	15.5
95.08605	22.0
97.02877	11.6
97.06513	26.9
97.10151	19.0
99.04465	3.4
99.08051	5.7
103.05457	2.2
105.07021	21.3
107.04937	9.5
107.08576	23.5
109.02866	2.9
109.06491	11.2
109.10139	12.0
111.04436	7.7
111.08047	6.2
113.05996	1.8
115.07555	8.7
117.07008	12.3
119.04933	2.2
119.08562	18.6
120.08090	1.6
120.71672	1.1
121.06508	10.9
121.10139	12.0
123.04453	2.5
123.08043	17.3
123.11674	1.9
125.06003	1.8
125.09613	18.1
127.03902	4.4
128.39420	1.1
129.05444	1.3
129.06999	6.5
129.77783	1.1
131.04900	2.1
131.07034	3.4
131.08557	14.4
133.06496	6.3
133.10107	11.4
135.08038	10.8
135.11656	9.1
137.05957	12.5
137.09618	4.4
141.06996	1.5
143.08539	7.9
143.10675	1.5
145.02844	3.4
145.04927	3.9
145.06496	2.4
145.10107	13.5
147.08043	7.7
147.11664	6.7
149.05939	2.0
149.09578	6.7
149.13258	5.3
151.03937	2.3
151.07571	1.6
153.09096	2.3
153.12724	2.8
155.08461	2.6
156.13808	3.2
157.10173	6.8
159.08075	3.2
159.11671	9.9
161.05855	1.7
161.09589	5.1
161.13206	1.8
163.06071	2.5
163.07521	1.9
163.11180	12.2
165.09077	4.2
167.07030	12.9
167.08340	1.6
169.10121	2.6
171.11684	4.3
173.09595	3.9
173.13269	3.6
175.03813	2.2
175.11168	5.7
175.14781	1.3
177.05458	6.1
177.12714	4.5
181.05046	1.3
181.12244	4.2
183.11641	1.7
187.07574	1.5
187.11249	1.3
189.11244	12.5
189.12799	2.4
189.16406	1.1
191.10678	3.9
193.12219	4.3
195.13741	2.0
199.11127	1.4
199.14746	1.8
201.07501	1.6
203.14316	2.2
205.08693	1.3
205.12144	1.5
207.06581	1.6
213.12663	1.3
217.15854	4.4
223.13370	1.9
227.12779	5.1
227.17879	2.1
233.15366	5.7
245.19032	3.6
255.17554	2.2
267.15955	1.6
269.17441	20.9
273.18457	23.7
283.15417	2.5
285.03754	2.5
291.19513	34.3
297.16833	1.8
307.19110	2.6
309.20602	5.5
315.19345	1.5
323.18549	1.6
325.20337	2.6
341.13937	1.7
347.22095	10.5
365.23196	55.5
366.23602	2.4
375.14337	2.6
383.24234	100.0
384.24542	4.0
386.48413	1.2
407.24384	1.5
430.05310	1.2
473.24939	1.4
479.66837	1.1
491.26239	1.5
509.27490	2.9
527.28235	3.5
545.29407	4.3
643.58398	1.2
742.34503	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	742.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01859	9.5
55.05505	24.9
56.04304	1.4
57.03432	15.5
57.07069	1.7
58.32445	1.4
58.55880	1.4
59.04991	1.7
61.02912	12.2
64.75009	1.5
65.03922	3.1
67.05493	38.5
69.03422	12.3
69.07059	25.5
70.06570	6.4
71.01360	1.5
71.04990	8.9
71.70074	2.3
73.02905	8.4
79.05477	44.4
81.03402	20.2
81.07041	63.2
83.01324	1.8
83.04971	12.9
83.08611	15.7
84.04487	1.5
84.08103	3.3
85.02895	21.3
85.06516	3.6
86.09711	1.8
91.03947	8.4
91.05467	32.0
93.07029	37.3
95.04956	21.1
95.08588	23.2
97.02882	14.0
97.06515	21.9
97.10155	24.5
99.04424	3.2
99.08071	4.3
99.70343	1.6
103.05437	2.2
105.07008	28.2
107.04942	13.4
107.08579	22.3
109.02852	4.1
109.06498	9.8
109.10149	13.7
111.04423	10.9
111.08047	6.5
115.05438	2.6
115.07545	6.9
117.03367	1.8
117.07005	14.8
119.04920	1.9
119.08549	21.6
121.02887	1.7
121.06492	10.1
121.10130	12.8
123.04404	3.8
123.08047	20.9
125.05924	3.9
125.09610	16.1
127.03904	5.3
128.06166	2.9
129.05501	1.6
129.06970	9.9
131.04938	3.1
131.07077	1.9
131.08537	21.5
133.06461	7.1
133.10110	17.2
135.08037	9.0
135.11664	10.9
137.05971	6.3
137.09602	6.8
139.11140	3.4
142.07764	2.1
143.08545	5.6
145.02831	2.9
145.04948	2.5
145.06453	4.1
145.10074	14.7
147.08012	10.1
147.11673	6.7
149.05986	1.9
149.09584	8.0
149.13217	3.4
151.04019	1.6
153.09137	2.9
153.12692	4.1
155.08505	3.2
157.10114	9.2
159.08035	4.6
159.11673	6.4
161.05969	2.7
161.09596	7.6
163.03844	2.0
163.06070	3.2
163.07445	2.6
163.11157	17.1
165.09106	4.8
167.07039	12.5
167.08403	2.6
169.10124	1.8
171.08125	2.1
171.11665	5.0
173.09624	5.3
173.13257	2.1
175.11145	7.2
177.05412	5.2
177.12720	4.5
181.04924	2.1
181.12224	6.1
185.09508	1.9
185.13130	2.5
187.11049	1.5
189.11209	11.6
191.10680	4.9
193.08472	1.5
193.12247	5.6
199.14804	3.4
207.06557	2.1
207.13945	1.7
211.13226	1.7
213.12659	1.5
217.15886	5.7
223.13271	2.2
227.12727	8.6
227.17953	3.0
229.14278	1.7
233.15370	5.8
245.13782	2.5
245.18954	3.5
255.17491	4.3
267.16043	3.1
269.17416	11.6
273.18442	31.3
283.15308	3.9
291.19498	52.5
297.16928	3.8
301.16394	2.0
307.19101	2.6
309.20566	7.2
321.11261	2.2
325.20038	4.7
347.22070	12.1
365.23187	100.0
366.23477	3.0
383.24258	63.6
384.24530	1.9
509.27200	3.1
527.28479	3.9
545.29205	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	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
53.34566	1.0
55.01863	3.8
55.05503	17.6
57.02696	1.1
57.03427	10.5
57.07067	1.1
58.43572	1.1
61.02893	1.3
63.89600	1.0
65.03931	2.6
67.05494	48.5
69.03403	1.4
69.07048	14.0
70.03717	2.2
70.04130	5.3
71.04983	2.3
71.08630	1.1
73.02909	1.6
79.05479	49.2
81.03400	2.5
81.07040	51.2
83.04963	3.6
83.08598	13.0
85.02901	1.2
85.06533	1.6
91.05463	20.8
93.06425	2.3
93.07027	63.9
95.04938	9.5
95.08591	64.6
97.02880	5.7
97.06505	4.0
97.10152	2.0
99.04436	4.3
105.07001	15.0
107.04924	8.0
107.08575	42.3
109.06507	2.9
109.10135	11.1
111.04410	1.8
111.08076	2.8
117.06993	12.1
119.08553	16.3
121.06473	7.8
121.10119	23.4
122.25191	1.0
122.69833	1.2
123.08057	2.0
123.11696	2.8
125.05901	2.7
130.07750	3.1
130.38158	1.1
131.08574	6.0
133.10115	5.9
135.08080	2.4
135.11667	52.2
139.07544	1.5
143.08540	2.5
145.10101	33.6
147.11647	3.0
149.13274	1.8
153.12802	1.1
159.11694	3.6
161.13313	2.3
163.11156	66.4
173.09648	1.6
173.13214	2.7
181.12212	9.0
209.11601	2.7
214.90286	1.2
227.12740	90.6
228.13101	2.4
243.21008	3.0
261.22150	8.6
277.21487	1.5
283.15356	97.5
284.15613	1.5
317.24756	3.1
335.25739	100.0
336.26120	2.7
423.99567	1.5
543.36731	92.6
544.36859	4.2
561.37714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.6
54.59000	0.4
55.01839	2.2
55.05503	11.8
57.03430	8.2
57.07035	1.9
61.02892	1.0
61.85783	0.5
64.50459	0.5
65.03912	1.3
67.05495	34.5
68.05798	0.7
68.13184	0.5
69.03383	1.1
69.07058	10.3
71.04979	2.9
71.08568	0.5
71.32339	0.7
73.02857	0.8
78.87508	0.5
79.05480	31.0
79.87141	0.5
81.03365	2.0
81.07043	40.5
83.04972	2.8
83.08190	0.6
83.08607	8.8
83.23758	0.4
84.17419	0.5
84.56236	0.5
85.02864	0.8
85.06499	0.9
91.05464	13.7
93.07029	41.2
94.07342	0.5
95.04403	0.6
95.04953	7.4
95.08591	44.0
96.08884	0.6
97.02881	2.6
97.06534	2.8
97.10101	2.1
99.04437	2.5
99.08044	0.8
103.05396	0.6
103.73087	0.5
105.04491	0.6
105.07007	9.5
107.04328	0.6
107.04933	5.9
107.08575	26.7
108.08858	0.6
109.06471	2.1
109.09426	0.6
109.10137	9.3
111.04448	0.8
111.08049	1.5
113.05976	0.6
115.05327	0.5
115.70395	0.5
116.80357	0.5
117.06301	0.5
117.07012	6.8
119.08563	10.7
121.06480	4.1
121.09272	1.1
121.10123	16.7
123.08023	1.0
123.11716	2.7
125.05943	1.3
129.06944	0.8
130.07730	1.2
131.04962	0.5
131.08554	4.0
133.10115	5.8
135.07994	1.3
135.11668	32.3
137.13304	0.6
139.07483	1.0
143.08495	1.0
145.10100	22.4
147.11636	2.6
149.13248	3.3
159.11636	2.1
161.13191	1.6
163.11157	37.3
163.14813	1.6
164.11595	0.9
164.46507	0.5
173.09486	0.7
173.13210	1.8
181.12195	7.4
187.14749	1.1
205.68713	0.6
209.11740	1.3
227.12746	53.2
228.13042	1.0
229.66873	0.5
243.21080	1.9
261.22137	7.3
283.15369	46.1
284.15738	0.8
306.27783	0.8
317.24677	1.9
335.25754	100.0
336.26019	2.4
352.56647	0.5
543.36737	74.7
544.36798	3.0
687.52942	0.6
697.80768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01855	2.1
55.05269	0.6
55.05503	7.0
56.92310	0.5
57.03428	3.9
57.07054	0.6
59.04980	0.8
61.02925	5.0
63.12003	0.5
65.03915	0.7
67.05134	0.8
67.05495	13.4
68.02596	0.5
69.03416	1.3
69.07061	5.9
70.31224	1.9
71.04980	6.3
71.39145	0.4
73.02885	1.4
79.05021	0.8
79.05477	14.4
81.03391	2.5
81.07043	39.4
83.04954	2.5
83.08605	6.8
85.02898	5.0
85.06529	1.1
91.03954	3.4
91.05463	12.2
93.07027	11.2
95.04954	4.0
95.08014	0.6
95.08596	9.4
95.14452	0.6
97.02892	3.1
97.06521	3.0
97.10123	0.8
99.04424	0.9
99.08062	2.1
105.07021	11.8
107.04937	4.6
107.08570	6.8
109.06503	18.8
109.10150	3.9
111.04390	2.4
111.08055	1.9
113.09594	0.8
117.07005	3.4
119.08559	9.9
120.28805	0.5
121.02833	0.8
121.06496	1.9
121.10113	5.5
123.04397	0.6
123.08043	3.7
123.11691	2.4
125.09639	1.3
127.03881	1.5
129.06966	1.3
131.08553	6.1
133.06459	0.9
133.10112	8.2
135.08032	2.5
135.11673	3.3
137.09587	2.4
137.13197	0.6
141.06969	0.6
143.08524	1.2
145.04927	1.0
145.10104	4.3
147.08017	0.8
147.11658	7.0
149.09602	3.8
149.13240	3.5
151.11188	1.5
157.10088	2.3
159.11664	3.3
161.09578	1.1
161.13257	2.0
163.06007	0.8
163.11147	3.0
163.14815	1.5
165.12744	1.7
169.10162	1.1
171.11716	1.4
173.09598	0.7
173.13257	2.4
175.11189	2.1
177.12718	1.5
183.11703	0.8
187.11206	0.7
189.12747	0.6
189.16342	0.5
191.10822	0.5
193.12218	1.6
197.13289	0.7
201.12810	0.6
215.17912	0.8
229.19453	2.0
239.17892	0.8
247.20549	3.1
257.19058	1.8
267.15826	0.8
269.17416	0.8
273.28033	0.5
275.20020	21.7
276.20282	0.6
293.20920	2.7
307.22586	2.1
349.23682	100.0
350.24121	2.2
367.24841	4.2
381.26285	33.2
382.26685	1.3
461.28989	1.3
543.31580	1.2
550.96045	0.5
560.32111	0.7
578.33038	3.6
673.23761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90197	1.0
53.03939	7.3
55.01861	9.4
55.05504	22.1
57.03426	6.8
57.07061	1.5
58.35914	1.0
59.04984	1.5
60.85673	1.0
62.55369	0.9
65.03924	3.9
67.05495	65.1
67.31211	1.1
68.05833	1.6
69.03426	13.8
69.07059	19.5
71.04980	31.5
71.71661	2.0
77.03899	1.3
79.05482	43.8
80.05807	1.9
81.03406	30.5
81.07045	100.0
82.07368	2.5
83.04964	13.5
83.08611	12.7
85.02882	4.8
85.06525	6.4
91.05469	43.6
92.05803	1.6
93.07034	37.5
94.07351	1.4
95.01286	1.3
95.04955	16.3
95.08594	25.4
96.08943	1.3
97.02878	9.5
97.06528	14.7
97.10153	3.3
99.04438	5.0
99.08063	2.9
102.01643	1.0
105.07018	36.6
106.07352	1.6
107.04935	8.2
107.08575	24.2
109.02876	6.3
109.06506	20.4
109.10132	14.4
111.04456	5.8
111.08086	5.6
115.05455	1.8
117.06986	12.2
117.27131	1.2
117.69173	1.1
118.07338	1.2
119.08570	24.8
121.06497	4.1
121.10133	14.3
123.04403	2.4
123.08052	6.5
123.11703	12.2
125.05994	1.9
125.09602	2.8
127.03861	5.4
127.07516	1.5
129.05479	1.9
129.06963	7.3
131.08540	16.8
133.06461	1.6
133.09174	1.7
133.10115	24.0
135.08034	6.5
135.11685	7.0
137.09612	4.2
138.96754	1.0
139.11140	1.4
140.79681	1.0
143.08539	3.9
145.06436	2.0
145.10104	12.2
147.08037	3.6
147.11661	16.9
148.88112	1.0
149.09647	6.4
149.13252	8.1
151.11137	5.9
155.08553	2.7
157.10170	5.9
157.11229	1.2
159.08041	2.2
159.11674	10.2
161.09602	3.1
161.13188	3.1
163.11154	4.8
163.14783	1.6
165.09023	2.0
165.12732	4.1
169.10097	1.1
171.11646	2.6
173.04446	9.3
173.09610	2.4
173.13303	4.1
175.11127	3.0
175.14757	1.6
177.09111	1.2
177.12753	3.8
183.11617	3.2
183.13829	2.4
185.09593	1.4
187.11380	1.4
187.13280	7.6
189.12802	1.4
193.12209	2.5
195.13750	2.5
199.14713	1.6
201.12758	1.4
201.14757	2.2
201.16428	1.4
207.13704	2.5
211.13193	1.2
225.14795	2.7
229.14345	2.8
229.19594	1.9
239.18086	1.4
243.15775	2.5
247.20602	4.0
249.14485	1.2
257.17291	2.0
257.19247	2.0
259.19910	1.0
267.16000	3.6
269.17297	5.4
273.18506	1.4
275.20032	43.6
276.20438	1.8
276.70557	1.1
277.21588	3.0
281.17377	2.6
282.17838	1.3
287.16281	1.2
293.21136	8.4
301.20352	2.0
339.18008	3.4
347.22269	1.1
349.23615	14.1
351.25012	1.5
367.24887	1.5
371.22949	1.1
372.28967	1.2
383.22198	2.8
395.20514	2.4
401.23193	3.2
413.21249	1.4
427.23550	2.1
445.24561	2.4
457.25931	1.7
471.32770	1.1
517.35175	13.8
519.36157	1.4
531.36676	1.8
535.35425	1.4
543.36957	8.3
549.37610	4.1
557.36664	3.1
575.38586	2.5
593.40210	4.4
625.36853	1.2
669.39966	2.6
687.40869	3.3
689.41870	1.6
705.41614	2.8
719.43634	5.8
737.44666	9.3
738.44519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47117	1.7
53.03943	10.0
53.53656	1.6
55.01861	8.5
55.05505	24.4
55.36465	1.7
56.41729	1.5
57.03427	5.1
57.07067	2.5
57.33558	1.8
65.03915	5.8
67.05493	59.4
69.03419	14.5
69.07061	20.3
71.04984	8.1
73.02897	2.5
79.05482	65.3
81.03403	32.3
81.07043	100.0
83.04961	12.8
83.08598	13.3
85.02893	10.5
85.06532	4.4
87.38061	1.4
88.72350	1.6
91.05463	58.9
92.05771	1.8
93.07027	53.7
95.04951	24.3
95.08592	34.8
97.02888	9.3
97.06527	11.9
97.10167	2.8
99.04450	3.8
99.08057	3.6
100.64755	1.6
101.02357	1.9
103.03893	1.8
103.05445	3.3
105.07014	55.0
107.04932	14.5
107.08569	23.3
109.02842	4.0
109.06499	18.2
109.10126	9.4
111.04441	3.3
111.08100	5.6
115.05443	6.3
116.76273	1.6
117.06989	18.7
119.04897	1.7
119.08555	33.6
121.06485	7.8
121.10141	14.7
123.04398	5.3
123.08080	9.5
123.11720	6.8
125.09581	1.7
127.03895	6.0
128.06187	2.9
129.06978	16.8
131.04903	3.3
131.08540	17.4
133.06464	5.2
133.10098	15.1
135.08032	8.0
135.11682	8.0
137.09563	3.1
137.97891	1.5
141.06953	4.5
143.08505	10.2
145.06430	6.3
145.10094	16.9
147.04460	1.7
147.08032	5.6
147.11671	30.1
149.09604	4.9
149.13254	5.6
151.11168	4.8
155.08516	4.5
157.06488	2.3
157.10132	6.4
159.08038	4.7
159.11691	9.1
161.09621	4.5
161.13258	7.3
163.11198	6.5
163.14862	2.4
165.09084	2.2
165.12726	3.4
169.10071	4.2
171.08055	2.3
171.11644	14.1
173.04517	3.3
173.13260	6.3
175.11192	2.6
177.12752	4.1
181.10120	2.5
183.08128	2.6
183.11705	4.3
185.09622	1.9
185.13223	4.0
187.11130	1.8
187.14745	2.4
189.12726	7.2
193.12189	1.8
195.11690	2.7
197.13268	2.3
199.14697	1.7
207.13779	8.6
221.15346	3.0
225.14803	2.8
229.19403	1.8
241.15839	5.0
247.20493	3.4
257.18982	4.1
267.15924	2.6
269.15427	5.2
275.20020	47.3
281.17422	22.2
287.16321	11.3
291.19592	3.4
293.21069	10.0
349.23709	15.5
357.70996	1.9
361.19913	2.8
367.24811	15.6
425.21707	8.1
555.36749	17.5
573.37885	16.9
735.42444	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	735.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11413	2.2
53.03926	11.0
53.79338	1.8
55.01861	22.2
55.05501	40.3
57.03429	12.8
57.07062	3.5
61.02905	9.7
65.00683	2.7
65.03914	6.3
67.05141	4.4
67.05494	80.9
69.03419	14.7
69.06735	2.4
69.07059	26.8
69.43054	24.2
71.04975	6.3
73.02898	4.1
77.03892	2.7
79.05479	100.0
81.03415	26.0
81.07043	89.7
83.04965	15.5
83.08582	17.0
85.02898	15.1
85.06525	7.1
91.03934	3.3
91.05464	83.7
93.06425	4.5
93.07024	92.7
95.04954	29.1
95.08588	45.5
97.02853	12.5
97.06519	32.3
97.10143	12.8
98.20639	3.7
99.04417	4.6
99.08093	2.5
103.05438	2.8
105.07015	72.2
107.04943	24.0
107.08574	49.9
107.09297	1.4
109.02872	4.7
109.06499	15.3
109.10136	20.2
109.23587	2.4
111.04410	2.9
111.08059	5.1
115.05404	3.2
117.06992	27.9
119.08553	51.3
121.06477	6.5
121.10131	19.4
123.08028	7.5
123.11716	2.8
125.09581	9.0
127.03866	6.1
128.06174	3.1
129.05530	2.4
129.06975	25.2
131.08543	28.3
133.06468	5.0
133.10107	31.6
135.08057	6.1
135.11678	11.0
135.73941	2.1
137.09570	4.6
140.43304	2.0
141.06985	5.5
143.08527	18.6
145.06503	4.6
145.10083	27.3
147.08032	5.5
147.10567	4.2
147.11655	49.2
149.09593	21.2
149.13225	3.7
151.11182	3.3
152.07893	2.0
155.08487	5.1
157.10039	9.8
159.08081	3.2
159.11658	13.7
161.09560	9.0
161.13249	13.8
163.11198	11.7
165.12619	3.4
169.10141	5.4
171.11650	28.0
173.04399	5.3
173.09633	3.2
173.13219	7.2
175.11191	3.3
177.12593	2.3
179.14233	2.3
181.10123	2.8
183.11630	4.6
185.13174	2.8
187.11205	3.8
189.11156	6.5
189.12697	10.1
197.13188	3.2
207.11931	3.7
207.13776	25.1
225.14812	2.9
227.12714	32.7
239.17865	5.2
253.14136	2.3
257.18915	11.0
273.18594	2.9
275.20029	63.6
279.15781	3.8
281.17422	64.0
281.20529	3.3
291.19345	4.6
293.20959	2.4
323.74649	2.3
331.22485	4.1
349.23639	30.5
377.23175	8.1
383.22086	2.6
383.68292	2.4
405.60089	2.6
435.27377	5.7
451.27011	3.6
457.29886	2.2
459.31009	6.8
475.30283	20.3
555.28040	2.6
555.36719	45.3
556.36963	2.8
573.37836	12.8
575.16193	2.5
717.41272	3.2
735.42120	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	735.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.5
55.01852	1.0
55.05497	4.1
57.07046	0.5
59.04957	0.4
63.45317	0.4
64.40013	0.4
65.03918	1.0
65.94843	0.5
67.05494	15.3
69.03397	1.9
69.06743	0.5
69.07057	5.4
69.15428	0.4
70.06569	1.0
71.04964	1.9
71.71090	0.9
79.05483	9.3
81.03390	1.3
81.07043	12.8
83.04973	0.7
83.08593	2.2
84.08105	0.6
85.02866	1.7
85.06501	1.9
86.09675	0.5
91.05013	0.5
91.05466	6.6
93.07030	12.1
95.04931	1.3
95.08597	8.6
97.02876	1.2
97.06493	1.8
97.10130	1.7
99.08054	1.1
105.07009	4.5
107.08582	6.1
109.02837	1.2
109.06455	0.9
109.10140	4.8
111.08033	0.7
117.06996	1.1
119.08533	2.8
121.02836	2.3
121.10126	8.4
123.08033	0.6
123.11681	0.8
125.09583	0.8
127.03872	0.8
129.06937	0.9
131.08516	1.5
133.10107	3.0
135.08023	0.5
135.11664	4.9
137.05946	1.4
137.09564	0.8
139.11165	1.1
145.10107	1.5
147.11655	2.0
149.13216	1.5
155.04904	1.5
159.11658	1.7
163.11198	0.8
167.06995	1.1
171.11589	0.6
173.05927	0.9
173.11786	1.0
173.13147	0.9
183.04346	1.2
185.13248	0.6
187.04018	0.5
187.07359	0.7
187.11038	0.5
189.11159	0.6
195.13751	0.6
201.05443	1.4
203.12709	0.6
211.03880	6.5
219.02896	0.6
221.06049	0.5
225.05373	1.4
229.04921	5.1
239.03415	1.4
241.19511	1.0
243.02867	0.7
245.04417	1.1
253.05075	1.0
256.03546	0.9
257.04410	49.2
258.04819	1.1
259.20547	2.3
260.03079	2.4
261.03891	8.6
265.04956	0.6
267.02853	2.8
271.05991	3.2
273.03897	29.7
274.04675	3.3
275.05414	0.5
277.21603	7.8
281.04330	1.0
284.03085	0.8
285.03897	100.0
286.04285	1.6
287.02365	0.6
287.05368	2.3
295.06030	0.9
295.22589	4.3
297.03912	2.6
299.02087	0.6
299.05423	8.1
303.04953	87.8
304.05426	1.5
311.05515	1.5
313.07059	1.3
315.04858	1.2
323.05341	2.3
325.03134	0.5
327.04926	14.7
339.04944	4.4
341.06647	0.5
345.05994	0.7
351.04953	2.8
357.06198	3.3
369.06000	9.7
369.10202	0.9
387.07028	6.8
388.08032	0.6
405.03149	0.8
405.08151	8.7
423.09222	1.0
579.25751	2.1
597.27325	2.4
604.93903	0.5
615.27979	3.3
634.75476	0.5
699.30133	0.5
717.31073	1.6
735.31964	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	733.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.0
53.03940	12.5
55.01860	12.2
55.05502	27.1
57.03425	31.8
57.07071	3.1
65.03922	9.5
67.05494	97.6
69.03417	16.4
69.07054	14.7
71.04974	7.9
71.70292	2.6
71.70790	2.9
79.05481	72.9
81.03406	36.6
81.07047	82.0
83.04961	13.3
83.08595	8.8
85.02911	13.5
85.06521	15.7
91.05466	68.8
93.07030	60.1
95.01274	2.7
95.04955	100.0
95.08596	29.5
97.02873	9.6
97.06505	9.3
97.10167	5.8
99.04473	4.8
99.08126	2.9
103.05455	3.5
105.07013	57.0
107.04928	24.5
107.08582	33.4
109.02833	5.1
109.06505	76.1
109.10123	11.4
111.04379	2.7
111.08060	7.0
113.05993	34.3
115.05428	6.4
116.06253	3.6
117.06995	29.9
119.08561	36.7
121.06511	14.9
121.10148	12.6
121.10876	2.2
123.04365	3.3
123.08035	7.5
125.09625	5.1
127.03896	7.8
128.06192	8.8
129.06985	25.0
130.07732	3.0
131.04893	3.9
131.08545	29.4
133.06445	14.0
133.10127	19.6
133.95181	2.3
135.08022	44.0
135.11688	13.7
137.05977	3.3
137.09593	4.3
141.06973	9.8
143.08562	20.9
145.06456	9.6
145.10136	22.8
147.08044	14.9
147.11664	18.2
149.06010	2.8
149.09615	10.1
149.13211	4.8
155.08531	6.6
157.06485	3.3
157.10143	13.3
159.08029	10.9
159.11673	17.0
161.09625	14.2
161.13228	5.7
163.07507	3.2
163.11140	8.4
167.08569	5.0
169.10094	9.5
171.08063	4.0
171.11624	18.5
173.04445	9.7
173.09590	3.8
173.13176	4.5
175.11162	5.6
177.12695	8.4
181.10089	5.3
183.11607	6.9
185.09525	4.3
185.13226	5.8
187.11121	5.7
189.12708	8.0
195.11569	2.6
197.13235	5.1
199.11108	4.8
199.14748	4.9
207.13766	9.1
209.13228	3.6
213.12953	3.1
217.15799	16.7
219.13669	4.2
233.15398	2.5
237.16312	3.3
251.14325	3.0
255.17479	4.7
269.15210	3.3
273.18439	53.9
275.20050	10.2
279.15900	15.3
281.17474	14.5
287.16522	5.8
291.19498	91.3
292.19659	3.2
311.19757	4.2
347.22095	18.8
351.17874	3.4
365.23233	13.6
407.20532	2.9
425.21521	8.4
526.35718	2.7
553.35150	18.8
571.36273	31.2
633.38043	2.8
715.39886	10.6
733.42316	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05502	0.4
66.02773	0.2
67.05489	1.1
68.99891	0.2
69.03436	0.4
69.07044	0.4
70.06596	0.5
71.70197	0.4
79.05488	0.9
81.03400	0.7
81.07040	1.2
83.04983	0.4
91.05478	0.9
93.07031	1.0
95.04966	0.5
95.08572	0.5
105.07041	0.8
107.08562	0.7
109.06504	0.3
109.10167	0.4
119.08562	0.4
121.10109	0.4
121.14304	0.2
123.04388	0.3
131.04913	0.3
131.08601	0.4
133.10130	0.3
135.11708	0.4
137.05983	0.4
141.64041	0.3
161.06020	0.3
167.07002	0.4
185.04185	1.3
201.03693	1.0
203.05229	1.8
253.00385	0.3
257.06433	0.5
259.07883	2.2
273.03992	0.4
285.04102	0.3
295.15289	0.4
331.09872	0.8
333.19983	0.5
344.95764	0.3
347.09518	2.4
351.20273	0.4
354.09079	0.3
359.12936	0.3
363.08914	0.8
365.10458	3.0
371.91052	0.3
407.23953	2.2
408.24777	0.3
421.13211	1.7
431.19067	0.4
457.20236	2.4
471.22113	2.9
483.21857	0.4
487.21555	0.6
493.15286	1.2
521.18774	0.5
569.29242	15.8
570.29950	0.6
593.23761	0.4
619.25562	0.4
633.27545	0.8
731.34473	100.0
732.34833	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	729.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01860	3.5
55.05489	8.5
57.03425	3.4
61.02877	1.9
64.58107	1.9
67.05492	24.7
68.03467	2.2
69.03391	2.8
69.07048	12.7
71.04959	2.2
71.32536	3.3
73.96676	1.9
78.16441	1.7
79.05480	23.5
81.03390	7.2
81.07043	52.5
83.04960	3.7
83.08585	6.3
85.02872	4.8
85.06510	3.4
91.05459	15.3
91.05980	2.4
93.07034	18.6
95.04947	7.5
95.08594	14.0
97.02879	2.9
97.06510	5.6
103.05338	2.1
104.76337	1.7
105.00314	2.0
105.07008	16.4
106.40974	1.8
107.04893	4.6
107.08569	8.5
109.06465	5.5
109.10117	6.2
111.08038	2.1
117.06953	4.7
119.08576	11.0
120.40551	1.9
121.06504	2.2
121.10127	8.6
123.08047	4.8
123.11675	3.7
129.07022	2.0
131.08525	2.8
133.10115	6.4
135.08058	3.1
135.11661	2.9
145.10095	4.7
147.11610	5.8
151.07538	2.0
153.01790	4.7
163.11186	2.7
169.10126	2.2
181.10106	2.3
203.49347	2.0
205.06676	2.2
213.05591	2.6
229.04825	2.4
241.04889	4.2
241.49748	2.1
244.03619	2.0
245.04396	2.6
253.04883	3.7
257.04288	4.9
257.19174	2.3
258.05188	3.4
267.02716	2.6
267.06467	2.9
269.04395	12.6
270.05017	4.2
271.05969	6.1
273.03918	18.1
275.20035	9.1
281.04462	7.3
282.05066	2.3
283.05933	9.1
284.03070	15.3
284.05969	2.7
285.03897	89.0
286.04529	6.9
287.05392	20.8
291.06360	2.6
294.05176	4.1
295.05914	17.6
296.06506	3.7
297.03909	97.2
297.07114	3.6
298.04660	17.3
299.02145	3.4
299.05338	20.7
307.05960	14.6
307.22629	3.1
308.06686	2.3
309.03894	8.3
309.07489	11.2
310.04736	19.2
311.05432	100.0
312.06006	9.4
313.03323	10.9
313.07126	5.4
314.03738	2.6
315.04947	12.0
319.05942	4.8
321.03906	7.4
321.07455	4.0
322.04550	2.8
323.05472	33.1
323.08936	4.4
324.02756	4.1
324.06155	7.7
325.03394	6.3
325.07004	15.1
326.04062	5.9
327.05045	10.6
327.08411	3.0
331.05774	5.2
333.07578	5.4
335.05539	15.1
335.08997	4.1
336.06131	6.4
337.03458	4.2
337.07004	19.4
338.04041	3.2
339.04910	38.9
339.08606	2.1
340.05518	4.3
341.06561	2.4
345.07645	2.7
347.05371	3.9
347.09091	4.0
348.06244	2.7
349.06934	21.4
350.03986	7.0
350.07840	5.9
351.04868	24.7
351.08676	8.4
352.05469	5.8
352.09085	4.0
353.06406	4.1
353.10178	10.9
355.11728	4.1
361.06934	8.7
363.04816	13.6
363.08682	6.9
364.05524	5.4
365.10187	75.1
366.10535	5.9
367.11670	10.3
369.05939	5.2
375.08649	3.7
377.06186	5.1
377.10236	7.5
379.11871	17.1
381.05920	6.6
383.11078	3.8
389.10181	5.0
391.11786	5.8
395.11044	13.7
405.13412	4.2
407.11273	11.6
409.12552	3.2
418.10419	4.7
419.11044	8.8
431.11154	8.3
433.17050	3.0
443.11252	5.2
445.16367	2.4
449.11911	9.8
461.11746	3.5
473.16129	12.3
479.12970	2.5
491.16776	6.1
493.18491	31.0
497.14154	2.9
503.16782	3.7
515.16931	5.2
519.23846	3.7
521.17688	3.7
523.19690	4.1
529.18439	2.2
535.20221	2.5
539.16425	2.6
541.22131	11.0
545.17932	3.4
546.18646	5.1
549.24365	4.1
552.79822	2.3
557.17798	4.7
559.23450	29.6
560.23169	2.5
561.24786	75.7
562.24768	5.6
571.19269	2.8
573.25006	4.1
577.23486	5.8
579.25958	21.7
583.23120	12.9
591.25732	39.1
592.25720	3.6
597.23914	3.4
601.24249	14.4
607.21844	5.3
609.26611	8.6
613.24243	3.9
615.25720	46.3
616.25525	5.3
625.24023	14.0
627.25476	2.3
633.17224	2.4
633.26910	35.1
634.27521	2.4
639.25610	9.3
643.25525	13.5
645.16705	2.9
645.26862	33.4
646.26764	2.9
657.26794	29.0
675.27936	23.9
676.28192	2.9
693.29028	23.1
711.29529	3.6
729.38861	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	729.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.49226	0.5
55.01849	1.7
57.03416	1.0
65.03931	11.6
67.05469	1.8
69.03412	2.6
69.44965	3.6
69.45398	2.5
70.06571	2.2
78.04688	1.8
79.05490	4.5
81.03378	1.5
81.07050	0.6
82.04170	1.9
85.02902	4.3
86.09702	1.1
89.03912	0.8
91.05478	7.5
93.03385	2.4
93.07029	0.6
94.04177	1.0
95.01307	1.6
95.04965	3.2
97.02860	2.3
97.06493	1.2
98.20696	1.0
99.34176	0.6
99.80956	0.5
102.04642	0.9
103.05444	4.5
105.07007	7.2
106.04175	1.4
107.04933	6.7
108.02044	0.6
109.02836	0.8
110.03645	10.5
111.04433	19.0
115.05441	2.3
116.06152	0.9
117.03387	0.8
117.07011	1.2
118.04108	1.6
119.04935	5.7
119.08527	1.0
121.06456	1.2
122.03618	0.7
123.04414	4.9
124.05173	2.3
125.05967	16.4
128.06183	2.6
129.06981	5.1
130.04073	1.0
131.04904	4.3
132.05650	1.6
133.02834	3.1
133.06480	4.8
134.03590	0.6
135.04408	0.8
136.05168	1.2
137.05954	10.6
138.03111	1.8
141.06953	0.8
144.05695	1.6
145.02814	0.6
145.04874	0.9
145.06438	2.4
146.03569	1.1
147.04379	8.2
147.08031	2.5
149.05960	2.5
151.03857	2.1
151.07492	1.5
152.04645	1.6
153.05438	71.6
154.05818	0.8
155.04834	1.2
156.05782	0.7
157.06448	1.0
159.08017	5.2
160.05186	1.3
161.05963	8.2
163.03896	1.0
163.07555	1.9
165.05473	1.6
165.06944	1.8
167.07019	51.2
169.06535	0.7
171.04378	1.8
171.08047	0.8
172.05150	2.0
173.06000	0.8
175.03891	0.6
175.07504	11.3
175.08937	0.9
176.04652	0.8
177.05501	3.7
177.06767	0.9
178.07756	1.7
179.07066	5.4
179.08499	1.2
181.06522	1.0
184.05185	1.2
185.05949	2.3
186.06775	3.2
187.07518	12.2
189.05424	5.7
189.07024	1.8
189.09041	0.8
190.07738	2.9
191.07127	4.3
191.08389	4.2
192.03983	0.9
192.07686	0.7
193.06548	0.9
193.08572	0.8
194.07239	0.7
198.06670	0.8
199.07512	6.1
201.05418	0.8
202.07776	3.5
203.06877	1.3
203.08530	4.3
205.06477	2.8
205.10268	0.6
206.07162	3.4
207.06410	1.4
207.08047	2.6
208.08742	1.7
209.08031	1.2
211.07431	0.6
214.06241	1.3
215.06935	2.1
215.08641	1.8
216.07739	7.0
217.06490	1.2
217.08401	1.0
218.07281	5.6
219.08037	10.7
219.56247	0.7
220.08769	5.4
221.05946	2.5
221.09554	2.3
223.07515	1.3
223.11067	0.8
229.06462	1.2
229.08540	7.5
230.07190	1.2
231.08023	5.0
232.08815	1.7
233.05852	3.3
233.09515	3.9
234.06735	4.4
234.10271	1.0
235.07469	6.7
235.11159	0.7
236.08253	6.3
237.09070	3.1
238.09862	0.7
239.06924	0.8
243.07993	1.0
244.08783	0.7
245.05891	1.3
245.09726	0.8
246.06728	3.3
247.07469	7.7
248.08270	4.8
249.05365	1.4
249.09114	8.3
250.06085	1.4
250.09769	1.8
251.07094	1.8
251.10628	13.2
253.08562	1.7
257.05865	0.9
258.06848	0.8
259.07559	3.0
260.08270	3.1
261.05518	3.2
261.09006	5.4
262.06165	1.7
262.09753	1.9
263.07089	4.2
263.10663	2.8
264.07773	11.4
265.08600	12.8
266.09351	1.3
267.06546	0.6
267.10114	0.7
272.08347	0.7
273.05414	0.8
273.09030	1.3
274.06241	0.8
275.06937	3.1
276.07761	10.9
277.05258	1.1
277.08505	6.9
278.06110	0.8
278.09299	5.4
279.06943	1.1
279.10074	8.7
280.10864	1.4
281.08157	2.2
281.11697	3.9
287.07080	1.1
288.07788	1.6
289.08591	4.8
290.06186	0.7
290.09363	2.7
291.06735	1.1
291.10074	5.6
292.07245	3.2
292.10635	1.4
293.08023	7.6
293.11649	1.9
294.08743	1.9
295.09622	1.8
296.10330	0.9
303.10226	0.8
304.07278	3.5
305.08087	3.3
306.08859	2.9
307.09604	36.3
308.10300	9.4
309.07867	1.1
309.11072	6.6
310.11777	0.8
311.12726	3.0
319.09598	10.7
320.10330	2.4
321.07700	1.0
321.11084	6.3
322.11835	0.8
323.12695	6.9
324.09897	1.7
326.11584	0.8
336.09879	1.4
337.10620	2.4
339.12228	100.0
340.12674	2.6
341.13818	12.1
351.12210	37.8
352.12717	2.1
353.13879	5.7
369.13269	3.0
499.17349	1.7
635.65167	0.7
663.35547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03924	1.7
55.01845	2.2
55.05498	0.8
56.96548	1.0
57.03415	1.9
63.33680	0.8
65.03622	1.0
65.03929	12.6
67.05476	2.5
69.03430	3.8
69.56166	6.7
70.06563	2.7
71.04982	5.9
73.02881	1.2
78.04684	1.9
79.05466	5.5
81.03393	2.3
82.04177	2.1
85.02892	12.3
86.09687	1.3
87.04479	1.0
91.05463	9.1
93.03368	2.4
94.04118	1.0
95.01313	2.7
95.04956	5.0
97.02869	3.0
97.06506	1.2
98.97562	1.6
103.05454	6.1
105.07009	7.5
106.04146	1.6
107.04948	7.3
108.32958	0.8
109.06433	0.8
110.03636	10.6
111.04425	21.9
115.05418	3.9
116.98603	0.9
117.03341	1.0
117.07014	1.8
118.04163	2.4
119.04929	6.4
119.08544	1.1
121.02899	1.8
121.06482	1.8
122.03618	2.0
123.04417	3.5
124.05153	2.2
125.05970	17.4
127.03905	1.5
128.06181	3.6
129.05473	1.8
129.07004	4.9
129.10205	1.1
131.04903	8.2
132.05692	2.3
133.02805	2.1
133.06467	4.4
134.03609	1.2
135.04398	1.4
136.05190	1.5
137.04932	1.4
137.05954	23.3
138.03050	1.6
141.06941	1.6
143.04840	1.6
144.05643	0.9
145.06433	2.4
147.04372	7.0
147.08040	2.7
149.05937	2.9
151.03868	2.5
151.07533	2.0
152.04642	2.0
153.05443	72.1
155.04889	1.4
156.05676	1.0
157.06450	1.3
159.08018	5.9
160.05164	1.6
161.01253	0.9
161.05943	7.7
163.03979	0.7
163.07497	6.1
165.06947	1.8
167.07011	48.4
171.04428	1.2
171.08054	1.5
172.05208	1.5
173.05936	0.9
175.07512	11.5
176.04510	0.9
177.05521	4.0
177.06866	1.3
178.07732	2.0
179.07008	7.8
179.08470	1.4
181.04918	0.9
181.08540	0.8
184.05132	1.2
185.05937	1.2
186.06703	3.8
187.07510	12.3
189.05429	3.7
189.07030	1.9
189.09042	2.1
190.07771	3.4
191.06970	5.6
191.08559	4.2
193.06554	0.9
193.08450	0.7
194.07172	1.9
199.07552	6.8
201.05443	1.0
202.07713	4.0
203.06868	1.6
203.08528	5.0
204.09258	1.0
205.06563	3.5
205.08328	1.0
206.07246	3.8
207.06483	3.0
207.08092	2.7
208.08736	2.2
209.07965	1.4
209.09749	1.0
214.06166	1.7
215.06960	2.7
215.08694	1.8
215.80368	0.7
216.07759	6.8
216.09511	0.9
217.06548	1.0
218.07222	6.0
219.01761	1.5
219.08032	10.8
220.08768	4.7
221.05983	2.6
221.09546	4.0
222.06720	0.9
223.07439	1.6
229.08551	9.1
229.43626	0.9
231.08090	4.4
232.08813	2.5
233.05898	3.5
233.09544	4.4
234.06706	4.8
234.98921	1.4
235.07503	7.4
236.08313	5.5
237.02769	1.3
237.09087	3.3
245.05997	1.0
246.06686	3.6
247.07523	7.2
248.08279	6.1
249.05347	1.6
249.09061	8.8
250.06300	1.0
250.09886	1.2
251.07060	2.5
251.10648	12.8
253.08636	1.5
258.06766	1.2
259.07516	3.0
260.08325	2.7
261.05368	2.7
261.09134	5.5
262.06299	1.8
262.09705	1.7
263.07135	3.9
263.10562	2.7
264.07733	10.9
264.10733	1.1
265.08588	11.3
265.11496	1.2
266.09265	1.1
273.09033	1.1
274.06219	1.4
275.07010	3.4
276.07739	11.4
277.08514	7.9
278.09354	5.5
279.06918	1.4
279.10083	9.5
280.07355	0.8
280.10736	1.3
281.08450	1.4
281.11673	5.0
283.09854	0.9
283.13321	0.9
285.03741	0.8
288.07785	1.8
289.05673	1.1
289.08380	4.7
290.09229	2.1
291.07059	1.0
291.10217	4.4
292.07141	3.0
292.10629	1.4
293.07996	6.4
293.11572	2.0
294.08905	1.8
295.09872	1.9
296.10361	1.2
301.08737	0.8
304.07263	3.2
305.07977	2.9
306.08801	2.2
307.09583	38.9
308.10358	8.3
309.10995	7.5
311.09305	1.0
311.12787	2.9
313.10617	0.9
319.09628	12.5
320.10254	2.2
321.07742	1.5
321.11032	7.0
322.11880	1.1
323.12701	6.3
324.09619	1.1
325.14343	1.1
325.93982	0.8
336.09811	1.7
336.13486	1.0
337.10660	3.4
338.11197	0.9
339.12228	100.0
340.12613	3.0
341.13803	13.2
351.12219	35.1
352.12766	2.1
353.13794	6.8
369.13318	3.3
497.13190	4.2
499.17151	4.4
501.18979	0.9
607.74121	0.9
704.20557	0.8
729.27216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01855	2.7
55.05267	1.5
55.05502	14.9
57.03435	12.3
57.07055	2.6
59.77459	1.2
61.02905	9.2
64.72795	1.0
65.03902	1.4
65.15051	1.1
67.05492	40.9
69.03416	7.5
69.07053	13.7
71.04962	3.2
71.08619	16.6
71.70239	1.3
73.02900	3.1
79.05478	24.8
81.03406	10.7
81.07043	44.1
83.04963	7.7
83.08606	13.4
85.02895	17.2
85.06516	2.5
91.03946	7.5
91.04453	1.3
91.05463	16.4
93.07030	32.6
95.04949	8.7
95.08007	1.6
95.08588	22.2
97.02860	10.6
97.06516	7.4
97.10156	8.8
99.08089	15.6
103.03919	1.6
105.07023	13.2
107.04928	3.5
107.08579	21.9
109.02850	2.2
109.06508	3.5
109.10120	10.5
111.08046	5.1
113.05994	1.4
117.07011	6.6
119.08567	9.1
121.06479	2.2
121.10127	12.5
123.08057	2.0
123.11690	3.8
125.09621	8.8
127.03902	4.4
129.06984	3.4
131.08562	6.9
133.06531	1.5
133.10100	12.5
135.08008	2.6
135.11664	10.0
136.30017	1.2
137.05933	1.3
139.11153	1.9
143.08572	2.5
145.04930	3.7
145.10081	4.9
147.11646	6.9
149.09616	1.2
149.13222	12.9
151.11159	13.4
157.10114	3.2
159.11665	12.6
161.13228	9.2
163.06027	2.2
163.11119	7.0
163.14845	1.1
165.12715	2.5
167.07048	2.0
171.11703	2.4
173.11710	6.9
173.13005	1.8
175.14786	2.6
177.12727	18.7
179.14259	10.7
185.13261	2.3
189.11189	4.8
189.12631	1.3
193.15840	1.3
195.13774	5.1
213.14771	1.2
227.12729	9.6
229.14325	9.2
231.20959	2.1
239.78192	1.4
241.19438	2.9
245.13742	5.6
251.16403	3.5
253.18124	2.0
259.20511	5.2
269.17422	82.1
270.17572	1.1
277.21585	20.8
289.03067	1.3
289.50577	1.1
295.22644	2.5
333.24063	1.8
351.25253	100.0
352.25555	3.9
369.26160	8.8
389.18161	1.9
393.26126	2.2
413.21588	5.6
437.98126	1.3
513.30011	1.6
579.23230	1.5
728.35437	9.1
729.33374	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	728.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01863	2.7
55.03567	1.2
55.05503	17.1
57.03424	12.1
57.07070	2.2
61.02919	9.2
65.03926	1.9
67.05491	40.9
69.03410	4.7
69.07063	14.0
69.55158	10.0
70.06588	3.0
71.04971	4.2
71.08615	17.4
73.02912	3.3
79.05474	23.8
81.03400	10.8
81.07041	40.1
83.04965	5.0
83.08601	13.0
85.02883	14.8
85.06536	2.8
86.09689	1.5
87.04501	1.3
91.03957	6.0
91.05460	19.4
93.07026	36.5
95.04953	7.3
95.08585	16.3
97.02872	6.9
97.06510	5.8
97.10148	11.8
99.04427	2.0
99.08070	13.5
103.03961	1.4
105.06993	13.3
107.04967	3.6
107.08566	20.8
109.02862	2.7
109.06512	4.9
109.10140	9.2
111.08085	3.9
117.06969	7.6
119.08541	8.6
121.06480	2.5
121.10146	11.4
123.08064	1.3
123.11671	3.3
125.09632	9.5
127.03886	5.9
129.06979	3.1
131.08539	7.3
133.06477	2.0
133.10080	9.6
135.08057	3.6
135.11673	7.2
137.09567	2.0
137.13237	1.6
143.08534	3.4
145.04938	3.1
145.10124	3.5
147.08014	1.2
147.11644	6.6
149.09590	3.3
149.13214	12.9
151.11168	12.7
157.10095	1.6
159.11667	12.6
161.13260	7.5
163.05995	4.2
163.11203	6.9
163.14890	1.4
165.12674	1.6
167.07053	2.8
171.11610	2.9
173.11694	6.2
173.13127	2.0
175.11209	1.9
175.14761	2.9
177.12703	17.6
179.14252	9.0
189.11217	5.7
189.12695	1.2
195.13803	5.0
217.19687	1.5
227.12720	9.6
229.14311	7.9
231.21069	1.6
241.19521	4.1
245.13818	6.1
249.21971	1.9
250.22485	1.2
251.16391	3.5
253.17947	2.6
259.20569	4.9
261.13190	1.3
269.17426	74.1
270.17624	1.7
277.21542	20.9
294.06833	1.3
295.22763	1.2
351.25229	100.0
352.25488	3.7
369.26367	8.7
389.18033	2.7
413.16150	1.2
413.21576	5.1
477.28482	1.6
495.29230	1.8
513.30286	3.3
728.35522	10.5
729.33466	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	726.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
53.56693	2.5
55.05506	24.1
57.03428	13.4
57.07060	4.0
57.39088	3.0
58.42810	2.3
61.02917	4.0
65.03925	3.8
67.05494	75.7
69.07051	27.3
71.04975	6.2
71.08600	3.5
71.09614	4.7
71.09936	4.1
79.05482	59.8
81.03405	6.1
81.07044	90.9
83.08595	15.5
85.02892	4.0
85.06497	5.7
91.05460	31.5
93.07032	66.3
95.04963	8.0
95.08591	48.9
95.36370	2.8
97.06512	9.0
105.07008	15.9
107.08574	38.6
109.06464	3.2
109.10154	20.0
111.08063	3.3
117.07005	6.7
119.08566	11.7
121.10135	24.9
123.11655	8.5
131.08545	13.3
133.10123	19.0
135.11697	13.4
145.10106	5.9
147.11678	8.3
149.13229	22.3
159.11694	11.8
161.13303	3.3
163.14876	3.3
173.13295	4.4
173.41415	2.7
177.12750	4.0
183.01677	2.7
195.13832	11.1
243.21030	3.8
252.44363	2.8
261.22086	13.7
269.17438	74.7
276.37225	2.9
335.25760	95.1
405.88339	3.0
473.97559	3.1
529.38837	100.0
530.38611	3.7
597.64941	3.2
628.46179	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	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
53.61110	0.7
55.01871	1.1
55.05509	13.5
57.03429	10.3
57.07059	2.8
59.34563	0.7
61.02909	1.8
65.03951	0.8
65.05550	0.6
67.05499	51.3
69.03395	1.3
69.07059	17.7
71.04982	2.8
71.08602	1.2
71.70054	1.2
73.02882	0.9
79.05486	33.6
81.03418	1.4
81.07046	59.2
83.04973	4.3
83.08614	9.5
85.02902	1.4
85.06515	2.3
91.03930	1.1
91.05472	18.9
93.07034	48.3
95.04942	3.9
95.08595	29.7
97.02841	1.0
97.06535	5.4
97.10171	1.4
99.08098	1.9
105.04546	0.7
105.07011	10.3
107.04940	1.4
107.08578	24.2
109.06502	2.6
109.10149	10.8
111.08064	3.6
117.07003	6.8
119.08563	6.4
121.10130	20.8
121.10816	0.5
123.11687	3.4
131.08545	9.0
133.10117	7.8
135.11676	10.8
137.09651	0.7
137.13199	1.1
139.11165	1.6
145.04956	0.7
145.10049	3.6
146.93083	0.9
147.11647	4.5
149.13239	19.1
151.11191	1.1
157.10164	1.1
159.11676	10.5
161.13252	2.6
163.11157	0.9
163.14914	1.1
173.13251	2.8
175.14825	1.3
177.12781	3.6
179.14343	1.0
187.14793	1.5
195.13742	4.7
213.14824	1.4
243.21117	2.3
261.22101	9.2
267.15955	1.7
269.17441	50.6
270.17892	1.1
277.21539	1.3
317.24835	1.9
335.25757	54.2
336.26053	1.2
349.28839	0.9
437.34131	1.6
455.35098	1.1
529.38843	100.0
530.39215	5.7
547.39880	1.7
628.46191	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	726.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.4
55.01792	2.9
55.05429	7.8
55.05718	1.1
57.03354	5.0
57.07006	0.9
58.92935	0.5
61.02839	7.7
61.03182	1.4
61.17010	0.6
65.03861	0.8
67.05414	19.6
67.05798	1.8
69.03338	2.2
69.06979	10.7
69.07380	1.0
71.04899	2.1
71.05813	0.6
71.19865	1.5
73.02831	2.2
74.26048	0.6
79.05396	19.8
81.03321	3.0
81.06955	55.8
82.19448	0.6
83.04872	3.0
83.08516	8.9
85.02798	9.5
85.06449	1.8
91.03936	6.8
91.05465	15.6
91.05986	0.7
93.07031	18.8
93.07576	1.5
93.90536	0.6
95.01265	0.6
95.04952	7.8
95.08592	15.6
97.02884	3.5
97.06525	4.9
97.10050	1.7
97.10658	0.5
99.07992	2.3
105.07014	19.6
107.04929	6.3
107.08578	11.3
109.06499	22.6
109.07192	1.2
109.10135	6.6
111.08063	3.7
115.02599	0.5
117.07000	6.0
119.08566	15.4
121.06511	3.4
121.10128	9.0
123.08037	5.3
123.11685	4.1
125.09509	1.7
127.03799	2.3
129.06874	2.6
131.08553	8.4
133.06403	1.0
133.10104	13.3
135.08034	3.4
135.11676	4.8
137.09583	3.9
137.13168	0.6
141.06879	0.8
143.08406	1.4
145.04839	1.9
145.06296	0.7
145.10107	8.7
147.07945	1.2
147.11656	12.3
149.09584	5.5
149.13231	5.6
151.11049	2.3
151.86526	0.6
155.08505	1.4
157.10138	3.2
159.07954	1.5
159.11659	6.4
161.09543	1.2
161.13103	1.6
163.05991	2.9
163.07080	0.7
163.11153	6.1
163.14722	1.0
165.12738	3.9
169.10040	1.0
171.11598	1.5
173.09518	1.2
173.13266	3.0
175.11067	2.0
175.14728	0.7
177.12637	2.1
179.14212	0.9
183.11601	1.3
184.07239	0.6
187.11128	1.1
187.14641	1.5
191.14247	0.9
193.12166	2.5
197.13271	1.0
201.12592	1.1
219.13766	1.0
229.19463	3.0
247.20494	2.5
257.19073	3.9
257.21280	0.9
267.15857	1.4
272.87405	0.6
275.20020	40.7
276.20206	1.0
293.20993	6.9
349.23682	100.0
350.23962	3.3
351.67166	0.6
367.24753	78.3
368.25137	2.3
407.07892	0.6
437.08615	1.1
461.29123	2.7
479.29834	1.1
493.27957	1.1
511.29089	1.8
529.30261	2.0
693.82587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01868	6.6
55.05503	17.4
57.03431	5.7
61.02918	9.1
65.03923	2.1
67.05139	1.3
67.05495	24.4
69.03423	4.5
69.07057	17.8
69.37301	0.9
71.04965	2.5
71.63029	0.9
73.02884	3.5
79.05480	24.2
81.03397	7.3
81.07044	25.4
83.04951	5.4
83.08601	7.9
85.02892	9.8
85.06500	2.1
91.03932	5.9
91.05470	19.2
93.07033	20.7
95.04957	7.2
95.08595	15.2
97.02862	3.7
97.06510	10.5
97.10155	12.2
99.04424	1.9
103.03930	2.6
105.07015	20.4
107.04919	6.5
107.08575	30.9
109.02857	1.7
109.06495	3.1
109.10132	10.1
111.08085	2.3
117.06970	6.2
119.08563	15.1
121.06473	2.7
121.10118	8.8
123.08057	1.7
123.11644	2.2
125.09618	9.3
127.03866	2.7
129.06956	2.2
131.08559	9.7
133.10097	13.1
135.08006	2.7
135.11650	5.5
137.09587	1.3
141.06943	1.9
143.08565	2.2
145.04927	2.5
145.10103	15.0
147.11679	9.7
149.09592	10.1
149.13229	3.7
151.11176	1.1
153.09088	1.0
155.08534	1.2
157.10085	3.6
159.11642	9.8
161.09586	1.4
161.13252	3.7
163.06049	1.9
163.09966	1.0
163.11136	6.6
169.10109	2.0
171.10255	1.7
171.11646	3.6
173.11705	2.4
173.13254	3.0
177.12794	4.7
179.14330	4.9
183.11725	2.0
187.11148	1.4
189.11218	8.1
193.12228	1.4
205.12192	1.3
223.13254	2.1
227.12788	8.4
229.14281	8.4
229.19431	2.3
239.17859	3.6
240.45409	0.9
245.13817	5.5
247.20474	1.8
253.17984	1.5
255.15947	3.3
257.18921	11.0
269.17429	13.1
275.20029	34.7
293.21085	6.5
298.17984	0.9
331.22397	1.9
349.23679	100.0
350.24075	3.1
367.24719	19.2
368.30954	0.9
372.14423	1.3
374.15662	2.9
389.18073	2.6
391.24432	1.2
413.21591	1.1
419.24390	1.9
511.28714	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	726.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.0
55.01868	6.3
55.05277	1.2
55.05507	15.2
57.03427	16.1
57.07059	1.9
59.04979	1.2
61.02916	13.0
65.03926	3.1
67.05497	50.6
69.03423	9.8
69.07058	21.5
70.06572	1.0
70.46201	4.2
70.79221	0.8
71.01347	1.1
71.04979	5.5
73.02904	5.6
79.05019	2.1
79.05484	39.3
81.03401	9.9
81.07047	62.4
83.04972	10.6
83.08606	12.0
85.02899	17.7
85.06531	3.3
91.03944	9.6
91.05467	26.4
93.07030	48.4
94.07327	1.3
95.04950	7.4
95.08591	22.4
97.02881	11.1
97.06512	14.8
97.10153	7.0
99.04456	1.3
99.08059	4.6
101.02396	0.9
103.03910	1.9
105.04477	1.2
105.07010	22.4
107.04940	5.0
107.08575	29.8
109.02856	2.7
109.06499	6.0
109.10149	9.9
111.04418	2.2
111.08060	6.2
113.09659	1.1
115.05421	1.4
117.07001	13.1
119.04898	1.1
119.08566	19.3
121.06511	5.2
121.10120	14.0
123.08040	3.2
123.11662	4.8
125.09612	4.8
127.03873	5.5
129.05482	1.4
129.06979	3.1
131.08546	15.4
133.06451	1.7
133.10100	22.5
135.08035	3.5
135.11679	17.8
137.09619	2.9
143.08536	3.8
145.04939	3.8
145.06441	1.0
145.10110	14.0
147.08041	1.4
147.11670	10.1
149.09607	10.4
149.13228	17.6
151.11192	1.9
153.09077	0.9
153.12782	0.9
155.08545	2.3
157.10132	4.8
159.11671	23.1
161.09576	2.1
161.13203	4.5
163.06012	3.7
163.11197	7.9
165.09106	1.0
165.12769	1.4
171.10193	1.7
171.11642	2.6
173.04414	3.1
173.05870	1.1
173.09578	1.5
173.13228	6.3
175.11101	1.6
177.12732	23.3
179.14294	8.3
181.12192	2.2
183.11702	3.1
189.11211	2.0
193.12180	1.3
195.13759	6.0
197.13275	1.5
199.14948	1.1
201.12726	1.1
227.12744	2.6
229.14302	4.0
229.19583	1.3
239.17877	3.8
243.12140	0.9
245.13849	2.9
247.20535	2.6
251.16354	5.0
255.13161	2.0
255.15889	44.3
257.19034	7.1
269.17441	100.0
270.17908	1.5
275.20053	20.0
275.22983	1.7
349.23685	67.3
350.24069	1.5
367.24786	25.2
377.19632	1.6
389.18130	1.8
413.21765	4.6
417.20731	1.1
431.22433	1.3
475.26306	1.5
493.27618	2.5
511.28903	7.5
512.98798	1.3
610.02795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01850	2.1
56.05013	0.9
58.03836	0.6
58.99569	4.2
65.03936	3.0
67.05469	0.8
69.03407	0.6
69.80161	0.6
70.06579	3.3
70.16418	3.1
71.04932	0.6
75.04462	4.2
76.02216	35.6
76.03976	1.4
78.04684	2.8
79.05494	2.9
81.03398	0.6
84.04489	10.6
85.02876	2.8
86.09675	1.9
86.99036	0.8
88.02183	1.2
89.03889	2.3
89.06001	0.9
91.05461	13.2
93.03387	11.4
93.07027	6.4
95.04942	6.0
97.06496	2.8
99.05544	0.8
103.05447	6.1
105.06997	1.3
106.04154	30.9
107.04935	2.1
111.04380	0.8
116.01650	8.9
117.03309	1.1
118.04108	0.9
119.04907	1.3
121.06482	31.7
123.02600	0.9
123.04409	1.1
123.08040	1.6
124.05178	1.3
125.05987	7.6
129.10216	0.6
130.04970	5.7
131.04922	1.2
133.06454	1.0
134.03598	4.8
135.04384	1.3
135.07959	1.0
137.05960	3.8
138.06740	1.2
139.07542	3.0
142.03189	3.1
144.01096	6.5
145.02806	1.2
145.06111	1.0
147.04335	0.8
148.05157	2.0
149.05954	53.7
149.71129	0.6
150.06311	0.8
151.02081	0.8
151.03897	1.1
151.07545	2.2
152.08263	0.7
153.05426	2.0
153.09087	12.2
162.00897	1.0
162.02182	18.3
163.03787	0.7
163.07491	2.0
166.06190	1.6
167.06966	2.6
170.02658	1.6
177.05444	25.5
179.04822	35.6
181.08574	19.3
187.05362	1.6
191.07039	2.6
192.06488	1.4
193.08588	0.9
207.08904	1.6
209.08052	100.0
210.08496	1.9
215.04779	1.4
223.04202	11.2
233.05849	7.7
245.05878	1.7
249.05470	0.7
277.05295	1.5
290.08276	0.8
291.06406	0.8
294.07822	0.9
308.09045	51.0
309.09348	0.7
329.29202	0.9
359.97757	0.7
369.10873	4.6
428.05875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	5.6
55.05501	8.0
57.03430	6.0
57.07050	1.0
60.63133	0.3
61.02916	5.3
62.58001	0.3
63.70656	0.3
65.03912	1.3
66.95047	0.3
67.05493	29.5
69.03422	3.8
69.07057	9.1
70.06554	0.4
71.01340	0.4
71.04982	3.0
71.71373	0.5
73.02905	1.9
77.03913	0.4
79.05479	16.6
81.03407	4.5
81.07042	35.3
82.07376	0.6
82.37935	0.3
83.04965	6.7
83.08604	3.6
85.02389	0.4
85.02891	6.0
85.06522	3.3
91.03946	3.4
91.05466	27.0
92.05779	0.7
93.03326	0.4
93.07027	20.9
94.07359	0.4
95.04403	0.5
95.04951	6.9
95.08006	0.7
95.08587	11.0
97.02874	3.8
97.06515	3.4
97.10135	1.2
99.04441	1.9
99.08089	0.9
103.03924	0.5
105.07010	23.4
106.07286	0.4
107.04949	5.6
107.08574	21.8
109.02835	1.1
109.06502	4.6
109.10139	30.6
110.10467	0.7
111.04417	1.3
111.08057	2.0
113.05974	1.8
114.60499	0.3
115.05417	0.7
115.07538	0.7
116.06261	0.4
117.06992	4.8
119.04927	0.4
119.08556	6.8
121.06492	3.9
121.10126	5.6
122.03439	0.4
122.10423	0.4
123.04412	0.7
123.08057	2.6
123.11681	5.8
125.05962	0.5
125.09599	1.1
127.03883	2.0
127.07557	1.9
128.06172	0.8
129.05460	1.2
129.06969	2.0
131.04938	0.6
131.08539	7.5
132.08858	0.4
133.06485	3.8
133.10104	42.6
134.10431	0.7
135.08023	5.2
135.10869	0.3
135.11681	3.1
137.05945	0.4
137.09586	1.9
139.07527	1.1
139.11235	0.5
141.06989	0.7
142.07730	0.6
143.08542	2.6
145.04939	1.4
145.06403	1.0
145.10114	4.8
147.08038	2.1
147.11652	2.7
149.09581	5.4
149.13213	0.6
151.11154	22.4
152.11525	0.4
153.12743	0.6
155.08502	0.7
157.04907	0.4
157.10081	2.0
159.08034	1.9
159.11700	1.7
161.09576	3.9
161.13272	0.8
161.52299	0.4
163.05977	1.5
163.07423	0.5
163.11177	1.5
165.12732	0.6
169.10101	0.8
169.12201	3.5
171.11668	1.6
173.09616	0.5
175.11133	1.8
177.09108	2.2
177.12724	0.9
179.10669	1.2
179.14241	0.5
181.10161	0.4
181.12148	0.8
185.13190	1.0
189.12724	1.3
191.10609	0.5
193.12108	0.6
197.11652	0.6
197.13312	0.5
197.30421	0.4
199.14780	0.6
203.10603	0.4
207.13783	0.7
209.11612	0.8
211.13141	0.5
215.12718	3.3
225.14865	0.6
227.12694	0.7
227.17900	0.7
233.15370	0.4
237.16455	0.5
245.18983	3.1
251.12733	1.0
253.14310	76.8
254.14636	1.6
255.17363	1.2
263.20035	2.9
267.15848	1.0
269.13815	2.7
269.16986	0.6
271.15366	10.6
273.18423	11.8
274.18927	0.6
275.20123	0.8
276.20288	0.5
283.15356	1.1
285.16989	2.0
291.19470	13.9
292.19583	0.4
301.16269	0.4
309.17267	0.4
309.20587	1.2
314.86795	0.4
321.24084	0.7
347.22086	7.2
348.22678	0.4
349.24185	0.4
365.23163	100.0
366.23547	4.2
381.26151	0.7
382.20276	0.3
382.26736	0.5
383.24219	2.6
415.19464	0.9
451.26895	1.0
459.26825	0.6
469.28110	0.7
477.28311	0.9
495.29416	1.4
509.27222	1.0
527.28064	2.9
544.37091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97501	0.5
53.03906	1.4
55.01860	4.1
55.05501	14.3
57.03423	3.9
57.07044	0.5
59.04973	0.8
59.07762	0.4
61.02914	5.9
62.67903	0.4
65.03910	1.2
67.05492	16.4
67.06017	0.7
68.05787	0.4
69.03421	6.4
69.07053	16.9
70.03748	0.5
70.27651	2.3
71.01305	0.5
71.04986	2.3
73.02866	1.6
79.05480	16.3
81.03408	7.6
81.07041	17.6
83.04967	4.8
83.08189	0.6
83.08607	8.3
85.02893	7.4
85.06497	1.0
88.18153	0.4
91.03945	4.2
91.04926	0.8
91.05459	10.3
93.07026	14.4
95.04406	0.6
95.04955	7.8
95.08585	7.1
97.02870	10.6
97.06516	3.1
97.09589	0.7
97.10150	10.6
97.81718	0.4
99.04399	0.8
99.07969	0.6
103.03912	0.6
103.05413	0.5
105.07012	10.6
107.04337	0.5
107.04931	5.1
107.08575	10.0
109.02831	0.9
109.06473	2.6
109.09524	0.5
109.10136	6.4
111.04388	1.4
111.08041	2.6
115.05466	0.6
116.06227	0.5
117.06997	5.8
119.04927	1.1
119.08565	9.2
121.06493	2.7
121.10116	5.2
123.04353	0.8
123.08055	3.4
123.11647	1.1
125.09612	9.0
127.03840	1.7
129.06996	3.6
131.08559	6.1
133.06479	2.4
133.10086	4.2
135.08049	3.3
135.11676	2.4
137.05888	0.6
137.09584	1.8
143.08551	2.6
145.04921	1.1
145.10089	4.6
147.08028	4.8
147.11644	3.4
149.09584	1.6
149.13184	1.6
151.11104	0.9
153.09012	0.7
155.08563	0.6
157.10075	2.5
159.07983	0.5
159.11636	2.5
161.09627	2.6
162.10378	0.7
163.05992	1.6
163.11089	1.7
165.08987	1.0
169.10115	0.8
171.10202	1.0
171.11652	1.7
175.11137	2.6
177.12650	1.1
185.13173	0.7
189.11177	3.3
191.10739	0.5
193.12178	5.2
195.13786	0.6
205.12169	1.3
209.11591	1.2
211.13205	1.7
219.13680	0.5
223.13231	15.5
224.13660	0.5
227.12718	5.0
227.17958	1.2
229.14221	0.5
231.17415	0.5
245.13736	1.4
245.18907	1.2
249.14784	2.3
255.17372	1.3
263.19901	0.9
267.15829	3.1
269.17398	0.8
273.18439	9.0
274.18716	0.6
283.15320	1.1
285.13870	0.8
285.16925	10.8
286.17191	0.5
291.19485	89.9
292.19955	2.4
297.16956	1.0
336.83591	0.4
347.22101	2.6
365.23166	100.0
366.23419	3.2
383.24243	0.7
429.21243	0.7
449.28787	0.7
450.18738	0.5
451.26947	0.6
477.28342	1.4
495.29529	1.3
527.28790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77397	0.7
53.16001	0.7
55.01877	5.5
55.05239	0.9
55.05500	14.2
57.03432	6.9
59.04961	0.7
61.02917	5.5
61.55561	0.7
65.03917	1.5
67.05135	1.6
67.05492	26.6
69.03416	6.8
69.06691	1.0
69.07056	16.5
70.06557	1.1
70.41798	2.8
71.04966	3.3
72.08102	0.7
73.02897	2.4
73.44326	0.8
79.05475	19.0
81.02940	1.5
81.03401	20.2
81.07042	27.9
82.03728	0.9
83.04956	7.1
83.08604	11.5
85.02876	8.1
85.06509	1.8
86.06042	1.0
86.09682	1.0
91.03937	4.5
91.04918	1.5
91.05460	23.2
93.07029	20.5
94.07359	0.9
95.04943	13.4
95.08073	1.1
95.08595	10.6
97.02880	7.3
97.06502	3.4
97.10154	8.1
98.87675	0.8
99.04436	1.4
99.08086	0.9
105.07011	17.7
107.04933	6.6
107.08571	18.7
109.02879	1.7
109.06499	5.4
109.10140	15.2
111.04385	2.6
111.08049	2.9
115.05451	1.1
117.06993	5.8
119.08564	13.5
120.08905	0.9
121.06488	4.2
121.10134	8.7
123.04382	1.1
123.08042	2.7
123.11723	3.8
125.09624	6.0
127.03902	2.2
127.07558	1.2
128.06142	1.0
129.05438	1.3
129.06978	4.7
131.08536	9.1
133.06462	4.6
133.10106	16.2
135.08031	4.2
135.11681	4.8
137.05968	1.2
137.09567	2.1
142.07742	1.5
143.08545	2.8
145.04913	1.0
145.06474	0.9
145.10104	6.0
147.08049	4.7
147.11671	6.4
149.09634	4.9
149.13210	1.0
151.11182	6.7
153.09087	1.2
157.10092	5.8
159.08086	1.4
159.11681	2.4
161.09579	4.3
163.05988	1.3
163.11159	4.1
165.09129	1.3
165.12836	1.7
169.12262	1.4
171.11661	1.5
173.09573	1.8
173.13152	1.4
175.11154	5.1
177.09111	1.2
177.12746	1.1
179.10643	1.2
181.12212	1.0
185.09540	1.5
185.13167	1.0
187.11156	0.9
189.11162	3.2
191.10606	1.6
193.12233	9.4
199.11269	1.1
201.12814	0.9
205.12173	1.9
209.11667	1.3
211.13216	4.0
215.12727	1.1
223.13261	8.6
227.12695	6.0
229.14282	2.2
233.15366	1.0
245.11696	1.0
245.19107	0.9
249.14801	3.3
253.14294	21.7
255.17416	1.4
259.13098	0.9
263.20184	1.5
267.11417	1.0
267.15839	13.1
268.16257	1.0
269.17496	1.1
271.15338	2.2
273.03931	1.4
273.18420	13.0
283.15231	2.7
285.16922	17.3
291.19504	59.4
292.19788	1.9
297.17020	1.0
299.14761	1.4
301.16592	1.0
303.05084	1.3
307.19034	1.0
347.22162	7.3
365.23172	100.0
366.23529	2.8
367.22903	1.0
369.20502	1.4
385.23526	2.2
429.21356	0.8
443.24072	4.1
451.26990	1.5
459.27396	8.6
477.28333	21.8
491.25952	1.9
495.29446	2.2
509.26999	5.2
527.27893	4.3
650.78156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01867	3.4
55.05505	10.8
57.03437	4.6
60.43586	0.6
61.02921	4.1
61.73571	0.6
67.05490	15.1
69.03413	5.6
69.07057	16.1
70.06575	0.6
70.14882	3.0
70.15189	0.8
71.04988	1.3
73.02902	1.9
75.82249	0.5
79.05482	13.0
81.03404	7.6
81.07044	13.9
83.04490	0.5
83.04959	2.5
83.08611	6.6
85.02890	5.7
85.06542	0.7
91.03958	2.8
91.05463	9.6
93.07028	9.9
95.04953	6.1
95.08587	6.5
97.02876	6.4
97.06521	2.7
97.10152	8.2
99.04443	0.8
99.08057	0.8
102.81270	0.6
105.07011	7.1
107.04947	4.6
107.08575	8.1
109.06522	3.1
109.10121	4.5
111.04391	1.4
111.08051	1.7
115.05506	0.7
115.38237	0.6
117.07001	3.6
119.04925	1.0
119.08556	7.9
121.06481	1.7
121.10128	4.4
123.04439	0.7
123.08052	2.9
123.11620	1.0
125.09597	6.4
127.03871	0.9
127.07535	0.7
129.06963	2.2
131.08542	5.3
133.06482	1.8
133.10103	4.5
135.08047	2.7
135.11658	2.2
137.05986	0.6
137.09589	2.0
143.08542	1.8
143.10638	0.6
145.04990	1.4
145.10127	3.9
147.08049	3.2
147.11655	3.9
149.09633	2.1
149.13240	1.2
151.11180	0.8
153.09053	0.6
155.08591	0.6
157.10109	2.0
159.08025	0.9
159.11667	2.1
161.09579	1.8
163.06010	0.8
163.11159	1.7
165.09146	1.2
165.12738	0.7
169.10043	0.5
169.12289	0.9
171.10162	0.8
173.09482	0.6
175.11128	2.1
177.12653	0.9
183.11748	0.5
187.11272	0.6
189.11115	3.3
193.12199	5.5
195.13802	0.8
205.12234	1.1
211.13242	3.1
223.13229	10.4
227.12715	3.4
227.17955	0.8
245.18990	0.7
249.14864	2.5
255.17430	0.6
267.15875	3.7
269.17194	0.7
273.03973	0.9
273.18475	10.0
285.13843	1.1
285.16907	12.9
291.19501	62.3
292.19861	2.1
307.18909	1.3
347.22046	4.9
365.23169	100.0
366.23511	5.1
372.71176	0.7
429.21332	1.2
459.27277	1.6
477.28305	3.0
509.27045	2.9
527.28357	5.2
562.33801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01982	0.4
53.03917	0.8
53.96893	0.4
55.01862	3.4
55.05504	12.3
57.03424	3.3
59.04958	1.0
61.02913	4.1
62.81996	0.4
64.04932	0.4
65.87319	0.4
67.05492	12.6
69.03418	5.0
69.07059	14.2
69.73139	1.0
69.73566	2.2
70.06528	0.6
71.04930	1.3
71.73969	0.5
73.02876	1.1
79.05477	11.1
81.03404	6.2
81.07040	11.3
83.04970	2.5
83.08609	5.9
85.02472	0.4
85.02885	5.0
85.06467	0.5
91.03925	3.1
91.04940	0.6
91.05460	7.7
93.07028	8.8
95.04958	4.8
95.08589	5.0
97.02874	9.2
97.06467	1.4
97.09579	0.7
97.10149	8.9
99.04437	0.5
99.07952	0.4
105.07009	6.6
107.04942	4.5
107.07911	0.6
107.08574	8.3
109.02819	0.8
109.06457	1.3
109.09468	0.5
109.10134	4.6
111.04401	0.5
111.08057	2.0
115.05357	0.6
117.06998	3.0
119.04849	0.6
119.08550	7.3
121.06474	1.6
121.10130	3.4
123.04372	0.4
123.08074	2.1
123.08783	0.4
125.08816	0.6
125.09603	6.6
127.03837	1.9
129.06949	1.9
130.07700	0.5
131.08545	4.8
133.06418	1.8
133.10091	3.5
134.07230	0.6
135.08041	3.1
135.11630	1.2
137.09563	1.3
139.11150	0.5
141.06870	0.5
143.08516	1.7
145.04886	1.1
145.10089	3.2
147.08025	2.9
147.11626	2.1
149.09583	1.1
149.13170	0.8
153.09067	0.6
157.10155	2.3
159.08034	0.4
159.11624	1.5
161.09531	1.8
162.10350	0.8
163.05991	0.9
163.11081	1.3
165.09026	0.5
165.12721	0.4
171.11633	0.4
173.11679	0.7
175.11092	1.8
177.12671	0.6
182.29515	0.4
183.11508	0.4
184.07184	0.5
189.11214	4.2
189.12706	0.6
193.12196	3.9
195.13766	1.0
205.12108	1.2
211.13184	2.3
223.13257	13.3
227.12738	3.2
233.15385	0.4
245.18953	0.5
247.89670	0.4
249.14772	2.0
255.17490	0.6
263.16696	0.5
267.15921	2.3
273.18433	7.0
274.18689	0.4
285.16913	11.3
291.19489	61.7
292.19836	1.9
302.04889	0.4
347.22046	2.5
365.23169	100.0
366.23520	2.2
429.20920	1.6
429.26218	0.5
461.03195	0.4
477.28290	0.8
492.71790	0.4
509.27621	1.7
527.28638	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	723.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01853	3.9
55.05500	23.5
56.49351	1.8
57.03430	9.7
57.07063	2.9
61.23226	1.5
65.03927	4.4
67.05491	77.0
69.03416	9.9
69.07054	17.3
71.04978	20.4
71.08606	2.4
71.70164	3.0
77.41280	1.8
79.05478	47.0
81.03403	25.8
81.07041	100.0
83.04969	21.3
83.08594	10.2
85.02883	2.0
85.06538	9.1
91.05466	36.2
93.07030	47.7
95.04954	8.9
95.08586	41.2
95.41990	1.8
97.02865	5.6
97.06519	7.1
97.10148	4.7
99.04461	3.9
99.08073	3.1
105.07021	23.8
107.04939	3.7
107.08575	28.4
107.71981	1.6
109.02869	4.6
109.06466	4.0
109.10132	19.9
111.04413	5.3
111.08057	3.2
117.07004	8.5
119.08553	14.1
121.06499	2.4
121.10107	14.2
123.08085	3.1
123.11690	14.0
125.09648	2.3
127.03893	4.3
128.06245	1.9
129.05466	9.0
129.07014	3.6
131.08549	14.0
133.10103	24.0
135.08017	2.1
135.11684	10.6
137.09514	2.5
139.95937	1.8
143.08510	3.2
145.10107	10.7
147.08052	2.4
147.11653	11.8
149.09621	3.7
149.13281	9.4
151.07574	1.7
151.11131	5.1
155.08583	2.1
157.10089	4.8
159.11678	7.2
161.13268	3.8
163.14812	2.5
165.12633	3.2
169.12315	2.5
171.11629	2.3
173.04428	6.6
173.09589	3.5
173.13274	5.6
175.11179	3.2
177.12701	5.7
179.14166	2.0
183.11676	2.1
183.13843	5.2
187.13280	9.5
189.11113	2.0
195.13730	4.6
201.14818	3.9
225.14806	3.0
243.15926	5.6
252.07826	1.9
261.22134	5.0
269.17545	8.3
275.19998	5.3
293.21207	2.9
299.18631	2.2
335.25790	23.5
369.24179	2.8
387.25305	2.6
406.82895	2.0
445.24234	4.7
447.40213	1.7
479.29993	2.4
503.37152	37.6
505.32849	2.0
505.38950	18.2
517.38983	4.4
529.38977	8.2
543.36353	2.3
561.41644	26.1
568.09833	2.0
625.44489	2.9
673.42786	6.2
705.45123	6.3
723.33887	3.9
723.45740	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	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87407	1.5
53.03941	5.0
55.01859	3.1
55.05504	22.1
56.94984	1.6
57.03427	8.8
57.07063	4.6
61.90710	1.7
65.03929	2.9
65.91019	1.4
67.05494	70.4
68.05814	1.8
69.03410	9.8
69.07050	18.8
70.06553	9.8
71.01321	2.1
71.04602	2.5
71.04984	24.0
71.08629	1.9
79.05480	38.5
80.09662	1.8
81.03395	21.8
81.07043	100.0
83.04966	17.5
83.08614	7.6
85.02895	4.5
85.06526	9.1
91.05463	39.8
93.07032	44.7
95.04958	11.1
95.08591	38.3
97.02871	5.3
97.06527	6.9
97.10168	4.9
99.04424	2.0
99.08086	3.3
105.07018	27.0
107.04913	3.4
107.08575	23.6
109.02847	2.9
109.06503	6.3
109.10130	19.7
111.04434	2.5
111.08075	1.7
115.05424	1.9
117.07011	9.7
119.08578	16.1
121.06489	4.1
121.10126	17.6
123.08041	3.1
123.11699	10.6
127.03898	2.7
129.05493	10.4
129.07021	3.9
131.08554	15.4
133.06534	2.3
133.10121	23.3
135.08031	3.1
135.11687	10.2
143.08530	4.9
145.06459	2.1
145.10085	8.6
147.11674	10.8
149.09627	4.2
149.13251	7.6
151.11180	8.1
155.08559	1.8
157.10162	4.2
159.11655	8.4
161.13277	5.1
163.11147	2.3
169.10115	3.0
169.12216	2.5
171.07964	2.1
171.11664	2.7
173.04469	5.6
173.13268	2.6
175.14786	2.0
177.12720	5.2
179.14330	2.6
183.11893	1.8
183.13760	3.2
187.13261	8.4
187.14734	2.0
189.28227	1.8
195.13837	3.1
197.13264	3.1
201.14876	4.4
205.33173	1.7
207.13943	2.2
225.14857	3.0
243.15942	6.1
259.20441	2.6
261.22192	4.4
269.17505	7.0
275.20016	2.1
277.21521	1.9
293.21332	2.3
317.24615	2.6
335.25793	19.6
339.17783	2.9
351.23056	2.5
369.24161	3.3
387.25388	3.3
461.28931	3.0
503.37244	37.5
504.37656	2.2
505.38678	17.1
517.38940	3.1
529.38831	7.3
543.36737	2.2
561.41650	23.1
625.44427	4.6
647.40930	1.8
650.74652	1.7
673.42883	6.7
705.45166	4.8
723.33191	4.8
723.45789	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	723.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01863	4.3
55.05507	23.1
56.59319	2.1
57.03433	8.9
57.07077	3.3
65.03931	2.9
67.05135	4.2
67.05495	79.4
69.03413	12.8
69.07062	16.1
71.04984	21.1
79.05029	3.0
79.05482	40.4
81.03405	23.3
81.07043	100.0
83.04970	20.8
83.08620	10.9
85.02900	4.3
85.06532	10.0
91.05465	37.9
93.07034	46.2
95.04951	11.6
95.08589	36.4
97.02884	3.6
97.06523	7.6
97.10155	3.4
98.20679	5.2
99.04437	2.0
99.08073	3.2
105.07020	28.4
107.04906	2.4
107.08577	27.3
109.02853	4.3
109.06514	4.8
109.10120	15.2
111.04389	2.4
111.08110	3.4
117.06988	10.8
119.08579	14.5
121.10127	13.4
123.04409	2.1
123.08116	2.6
123.11703	15.3
125.09649	2.3
125.27901	2.0
127.03927	2.9
129.05476	10.1
129.07010	4.2
131.08530	13.2
133.10097	21.0
135.08070	2.6
135.11656	12.3
137.09604	2.1
143.08575	6.2
145.10117	8.5
147.11687	10.8
149.13248	7.4
151.11217	9.7
157.10109	3.3
159.11714	8.7
161.09526	2.2
161.13274	6.5
165.12756	4.5
169.10121	3.1
173.04433	8.1
173.13268	3.2
175.11232	4.9
177.12828	3.2
179.14275	3.0
183.13788	3.5
185.13185	3.0
187.13210	12.4
193.12289	2.5
195.13751	3.1
197.13277	2.5
201.14755	3.8
225.14830	3.4
233.15289	2.3
243.15887	4.7
245.05681	2.1
261.22144	4.9
267.15729	2.7
269.17487	8.2
275.19980	5.5
277.21661	7.5
289.70340	2.2
335.25766	21.4
339.18637	2.1
369.24246	4.4
374.89020	2.4
443.27512	2.4
461.29019	3.4
471.17548	2.2
503.37308	38.4
505.38950	17.3
529.38702	9.6
561.41571	28.4
611.46600	6.0
625.44977	10.3
673.42810	7.1
705.45441	4.0
746.19910	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	723.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.0
55.01863	4.1
55.05506	23.4
57.03418	4.0
57.07047	5.5
62.40749	2.0
67.05495	51.5
69.07056	16.1
69.60726	8.5
69.61158	10.9
71.08617	23.7
79.05478	55.6
81.03387	6.7
81.07043	57.9
83.04980	5.3
83.08594	9.5
91.05463	42.9
93.07028	66.2
95.04962	12.0
95.08583	35.3
97.06487	6.8
97.10136	4.4
98.21442	3.3
99.08065	13.8
99.08611	2.4
104.34158	2.3
105.07017	21.1
107.04926	7.2
107.08578	30.1
109.06499	6.2
109.10111	11.3
111.08023	2.8
112.99982	10.4
113.09637	4.0
117.06997	9.0
119.08552	20.1
121.10129	23.1
123.11640	2.5
129.06952	4.4
131.08521	9.1
133.10103	13.3
135.11684	20.4
137.09573	4.1
141.09096	2.5
143.08530	3.8
145.10049	8.3
146.13911	2.2
147.11653	6.0
149.13223	6.8
151.11151	9.9
159.11627	7.0
161.13231	10.6
163.11172	3.7
165.12724	3.4
169.02596	5.0
171.11694	2.5
173.13217	4.4
179.12834	4.4
179.14281	47.5
189.12744	2.8
243.20975	6.1
259.20428	3.7
262.25241	7.8
275.20029	11.6
277.21625	40.5
295.22751	4.4
317.24612	8.6
335.25366	2.7
339.00574	2.6
351.25040	12.7
481.45700	2.4
611.46606	100.0
612.47186	6.8
625.44305	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	723.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71868	0.3
53.03932	0.6
55.01863	1.0
55.05507	2.2
57.03405	0.5
62.90252	0.4
64.50918	0.4
67.05496	7.7
69.03394	1.1
69.07051	1.8
69.39699	4.2
70.06580	1.7
71.04961	1.1
72.08142	0.7
73.27962	0.3
73.70810	0.3
77.03892	0.4
78.74121	0.4
79.05480	7.9
81.03375	0.9
81.07044	10.2
83.04954	0.9
83.08598	1.7
84.08125	2.0
85.02875	1.5
85.06512	0.7
86.09672	1.1
91.05470	7.2
93.07030	8.4
95.04955	2.0
95.08594	9.7
97.02843	0.5
97.06515	1.7
97.10121	0.5
99.08058	0.5
103.05487	0.4
105.06993	4.2
107.01282	0.6
107.04929	1.7
107.08575	5.5
109.02839	0.6
109.06482	1.2
109.10152	2.4
111.08026	1.1
116.06185	0.4
117.06992	3.2
119.08551	3.9
120.08067	0.6
121.06479	1.6
121.10117	5.7
123.08041	0.9
123.11698	0.5
127.03881	1.3
127.07509	0.4
128.06136	0.4
128.66679	0.4
129.07016	0.8
129.10179	2.2
131.08549	5.6
133.06403	0.4
133.10118	3.5
135.08061	3.5
135.11649	2.1
137.05923	0.4
137.09581	1.6
139.07539	0.4
141.06949	0.6
143.08540	1.0
145.10097	6.0
147.07997	0.9
147.11635	1.0
149.09583	4.7
154.39038	0.4
155.04893	1.4
155.08507	0.5
157.10072	0.4
159.07933	0.4
159.11642	1.3
161.09607	0.5
161.13196	0.7
163.11147	3.2
167.07002	1.1
169.10052	2.0
173.05997	0.5
173.13322	0.6
177.16405	0.4
183.04399	1.6
183.11653	0.7
185.13226	0.9
187.03836	0.5
187.14812	3.0
201.05466	2.0
201.16345	3.2
205.15762	0.5
211.03871	5.7
211.14749	3.9
215.03429	0.5
219.02892	1.1
219.17389	1.0
223.16910	2.0
225.05450	1.2
229.04919	5.3
229.15854	3.6
237.18365	0.7
239.03349	1.0
241.17924	0.9
243.02661	0.6
245.04448	0.9
247.16910	10.2
248.17235	0.5
253.05037	0.7
256.03641	1.2
257.04419	49.9
258.04700	2.5
260.03131	2.5
261.03909	8.0
263.01782	0.8
265.17938	7.9
267.02859	3.3
271.05966	3.3
273.03891	26.6
274.04617	3.2
281.04483	1.4
283.18973	3.2
285.03900	100.0
286.04294	3.1
287.01837	1.0
287.05496	1.2
289.03516	0.6
295.05984	0.7
297.03891	3.1
298.04623	0.5
299.02115	0.6
299.05429	8.7
300.05902	0.7
301.03406	0.8
303.04953	76.9
304.05392	2.9
311.05435	1.1
313.07001	1.1
315.05078	0.7
323.05441	1.5
325.03366	0.6
327.04959	13.3
328.05420	0.7
339.04947	4.1
341.06665	0.7
351.04904	2.4
357.05963	3.6
369.06030	8.6
370.06448	0.6
387.07080	7.3
405.08090	8.9
409.21982	0.8
423.09174	1.6
427.23245	1.0
483.48526	0.4
549.21393	0.7
567.22357	2.3
585.23267	8.6
586.23199	0.6
603.24261	1.3
645.64728	0.4
687.26306	1.7
705.27051	3.2
723.27637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
54.21484	0.9
55.01870	9.8
55.05501	15.0
57.03423	7.3
61.02927	5.3
65.03914	2.0
67.05497	25.0
69.03413	5.1
69.07063	8.9
70.06577	2.0
70.43868	4.7
71.01325	1.3
71.04986	2.6
73.02887	2.4
75.04476	1.0
79.05478	19.9
81.03393	7.2
81.07043	43.9
83.04959	4.5
83.08147	1.5
83.08601	11.4
84.08141	1.0
85.02895	7.6
85.06541	1.9
90.72111	0.9
91.03929	0.9
91.05462	22.6
92.05741	1.0
93.07027	21.7
95.01308	7.6
95.04957	7.9
95.08594	18.1
96.08817	1.1
97.02887	4.3
97.06532	5.7
97.10172	2.6
99.04425	1.4
99.08052	1.1
103.05447	2.6
105.03402	1.4
105.07017	23.8
107.04935	5.2
107.08569	12.8
109.02873	2.2
109.06490	8.8
109.10156	6.3
111.04434	1.5
111.08042	3.4
113.02367	1.9
115.05429	3.2
117.07012	7.9
119.04912	2.5
119.08557	19.7
121.02824	1.7
121.06516	5.3
121.10135	12.7
123.04380	2.4
123.08041	5.0
123.11645	5.4
125.02336	3.0
125.03212	1.1
125.09587	2.6
127.11144	1.3
128.06183	3.0
129.05511	1.5
129.06981	9.6
130.07722	1.5
131.04918	2.6
131.08559	14.2
133.06458	4.6
133.10115	11.4
135.04391	2.0
135.08034	5.8
135.11627	5.0
137.02274	1.5
137.05928	2.4
137.09557	3.2
137.13240	1.4
139.03929	2.0
139.07552	1.3
141.01781	2.9
141.06976	2.2
142.07742	2.0
143.08507	6.6
145.06450	7.9
145.10081	10.8
147.04385	2.9
147.08043	6.1
147.11658	11.4
148.12114	1.3
149.02274	1.9
149.05928	4.7
149.09592	8.3
149.13228	2.3
151.03882	3.5
151.11119	1.5
153.06863	1.1
155.08440	5.4
156.03291	1.3
157.06471	3.5
157.10094	7.3
158.07262	1.3
159.04404	1.7
159.08028	6.3
159.11642	3.9
159.62781	1.1
161.06007	2.5
161.09608	4.6
161.13298	1.7
163.03864	4.9
163.07555	2.7
163.11150	6.2
165.05463	1.2
165.12709	5.2
167.03391	1.3
167.08510	3.6
169.06386	1.7
169.10135	5.5
171.04489	1.3
171.08018	4.8
171.11646	4.0
173.05969	3.5
173.09627	5.4
173.13255	2.6
175.03873	3.1
175.07458	2.6
175.11166	3.6
177.01845	2.6
177.03966	1.3
177.05421	3.2
177.09087	2.5
179.08521	2.5
181.06557	1.4
181.10049	2.7
183.07973	3.5
183.11636	2.9
185.05913	3.0
185.09575	5.1
185.13150	2.0
187.03918	3.7
187.07527	4.0
187.11115	3.8
189.05420	5.0
189.09099	4.6
189.12727	1.5
191.06993	2.2
191.10728	2.0
191.14255	1.0
193.05052	1.3
193.08525	1.3
193.12219	2.1
195.07999	1.6
195.11601	3.0
197.04184	1.3
197.09641	6.0
197.13280	1.7
199.03870	7.4
199.07487	3.2
199.11163	3.3
201.05455	3.0
201.09084	5.8
201.12729	1.7
201.16055	1.1
203.06967	4.8
203.10582	1.9
205.08568	2.9
205.12212	1.4
207.11707	1.7
209.09668	2.2
211.07497	2.6
211.11226	2.9
213.05435	5.9
213.09053	4.5
215.07021	4.8
215.10674	5.6
217.04918	3.0
217.08485	6.4
219.09909	1.5
223.11209	1.9
225.09071	5.4
227.06967	4.6
227.10649	3.5
229.04959	1.8
229.08554	5.2
229.19606	1.4
231.06500	2.1
231.10083	2.8
233.11615	1.7
235.05914	1.8
239.06967	2.3
239.10670	2.3
241.08617	7.3
241.12234	1.7
243.10130	9.8
249.07574	2.8
251.10741	1.7
253.08594	2.6
253.12238	1.4
255.10072	4.1
257.04370	2.9
257.11737	2.2
257.18927	2.3
259.09689	2.4
261.11166	4.6
267.10095	2.8
267.15677	2.5
269.11700	2.5
271.09723	3.0
271.13248	1.3
273.03769	1.7
273.18677	1.5
275.20013	12.5
276.53452	1.1
281.11658	1.2
285.03864	7.5
289.10617	4.3
293.11621	1.6
303.04855	2.2
307.11713	4.2
311.12845	2.6
323.16290	1.3
323.19873	1.8
325.12790	19.9
325.17950	1.6
327.12189	1.4
327.19406	4.4
337.17776	1.7
340.98349	1.2
341.17468	1.5
345.13345	1.3
349.17792	2.4
349.23703	1.7
351.19400	3.4
353.21054	1.7
355.19031	3.4
361.17853	2.0
367.19031	12.0
369.20398	2.9
373.19885	1.2
379.19138	8.4
385.19934	1.4
387.21463	3.3
397.20102	17.5
415.15909	2.2
415.21121	29.1
416.21100	1.8
429.22446	2.6
433.22064	19.3
437.17734	1.5
441.22653	49.8
442.22833	4.2
447.23355	2.4
451.23221	24.0
452.23334	1.5
453.22495	2.6
459.23709	17.1
460.24109	1.7
471.23651	17.9
475.26541	2.1
489.24786	41.4
490.25256	1.7
507.18008	1.9
507.25809	80.4
508.26218	6.6
525.26874	100.0
526.27161	7.6
543.28040	6.0
633.28827	1.5
669.31030	1.5
722.40607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33284	0.5
53.03926	0.9
55.01860	3.0
55.05238	0.9
55.05502	11.0
57.03426	2.8
61.02908	2.9
65.03936	0.6
67.05495	10.8
69.03420	3.7
69.07066	6.3
70.06561	0.9
71.01318	0.9
71.04984	1.5
71.70105	0.5
71.70522	0.8
73.02889	0.9
79.05479	8.8
81.03394	6.0
81.07040	10.4
83.01344	0.7
83.04962	2.3
83.08606	12.0
85.02876	4.6
85.06506	0.6
91.03945	0.9
91.05466	10.1
93.07034	10.0
95.01316	5.3
95.04965	4.5
95.08583	7.5
97.02859	3.7
97.06519	2.6
97.10147	1.4
99.08065	0.7
103.03954	0.6
103.05426	1.1
105.03359	2.8
105.07004	7.9
107.04919	3.7
107.08568	4.7
109.02855	2.1
109.06487	3.6
109.10129	6.7
111.04428	2.0
111.08053	2.5
113.02367	0.8
115.05431	0.8
117.07011	4.6
119.04913	1.4
119.08558	7.2
121.02831	0.8
121.06487	2.0
121.10104	5.7
123.04427	2.5
123.08050	2.6
125.02325	2.9
125.05987	0.5
125.09567	0.8
126.10331	0.6
127.03893	1.6
127.11145	3.4
128.06180	0.6
129.06975	3.0
131.04915	1.5
131.08554	6.8
133.06458	1.6
133.10103	5.4
135.04419	1.7
135.08034	2.7
135.11668	2.1
137.02339	0.5
137.05960	1.7
137.09613	2.2
139.03883	2.3
139.11169	0.8
141.01785	1.1
141.07011	1.5
141.08159	0.6
142.07790	0.9
143.03342	0.6
143.08553	3.5
145.06447	2.5
145.10078	5.4
147.04335	0.8
147.08002	3.2
147.11621	3.0
149.02301	0.9
149.05969	1.4
149.09587	2.6
149.13174	0.6
151.03885	2.2
153.05487	0.6
153.07011	0.8
153.09070	0.5
153.65805	0.5
154.07782	1.0
155.08470	2.7
156.46590	0.6
157.06453	1.2
157.10091	2.8
159.04391	0.9
159.08005	2.7
159.11697	2.8
161.05986	1.6
161.09599	1.9
161.13223	1.2
163.03909	2.5
163.07507	1.5
163.11130	2.8
165.05444	1.8
165.09087	1.3
165.12746	1.7
166.07788	0.6
167.03375	1.1
167.07037	0.7
167.08496	1.1
169.06442	0.7
169.10107	2.6
171.08049	1.5
171.10416	0.7
171.11629	3.0
173.04575	0.6
173.05943	3.0
173.09612	3.8
173.13148	0.8
175.03938	0.7
175.07532	1.4
175.11218	2.1
177.01825	5.0
177.03325	0.6
177.04051	0.8
177.05482	1.9
177.09012	0.5
177.12726	0.9
179.03419	0.7
179.08475	1.2
179.10661	1.0
181.08517	0.6
181.10007	1.1
183.08234	0.5
183.10144	1.2
185.05939	0.6
185.09592	1.0
185.13115	0.5
187.03963	0.7
187.07607	1.4
187.11136	4.7
187.14793	0.7
189.05435	2.6
189.09105	3.1
189.12692	2.9
191.03392	1.7
191.10654	1.9
193.12218	0.8
197.09552	3.4
199.07520	1.2
199.11137	2.0
201.05440	2.0
201.09053	3.7
201.12830	0.7
203.06984	3.3
203.10645	2.0
205.05008	1.2
205.08598	1.5
205.12233	1.3
207.08163	0.7
207.10043	0.6
207.13728	0.6
209.09784	0.9
209.11632	1.1
213.09122	0.8
215.07123	0.9
215.10658	7.6
217.08627	2.2
217.12247	1.2
219.10014	1.2
221.04459	0.6
225.09090	3.8
227.07277	0.7
227.10707	1.4
229.04971	0.6
229.08521	1.5
231.10114	1.0
233.08174	1.1
233.11713	2.9
235.05907	1.1
235.13467	1.1
237.11234	1.9
239.17801	0.6
241.08739	0.9
243.10153	14.4
245.08122	0.6
245.11713	0.7
247.09717	0.7
249.11020	0.6
253.08606	2.0
257.04309	0.9
257.19147	1.0
259.09686	2.7
259.13275	0.8
261.11172	7.1
263.12778	0.7
267.12332	1.7
271.09650	4.0
275.20142	2.5
277.24973	0.6
279.12271	1.5
283.12204	0.7
283.15359	3.2
285.03870	1.7
287.12817	1.4
289.10632	6.7
297.13394	0.8
303.04880	0.8
305.13690	0.8
307.11703	5.9
315.19662	0.8
321.13257	0.6
325.12741	32.0
326.13107	0.9
333.20685	0.8
339.05215	0.9
345.13458	0.8
349.23703	1.0
368.25632	0.8
369.20425	1.0
371.22107	0.7
379.19080	1.1
385.19635	0.7
387.21594	2.1
389.23303	1.0
397.20001	2.5
399.16626	1.1
405.22601	1.8
415.21082	11.2
415.26218	0.5
431.83481	0.6
433.22165	9.5
434.22449	0.8
437.18024	0.6
441.22751	2.4
451.23206	30.3
452.23654	1.7
471.23801	0.9
475.26974	1.0
489.24728	7.7
493.27826	0.8
507.25635	7.4
525.26862	100.0
526.27081	6.7
542.35028	0.6
543.27911	7.4
544.27875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.9
55.05502	16.7
57.03423	7.0
58.16352	4.8
58.76429	5.2
67.05497	71.0
69.07053	14.5
70.39268	6.8
70.39621	18.4
79.05483	73.1
81.03417	5.5
81.07045	64.6
83.04979	15.9
83.08607	8.8
91.05464	50.9
93.07035	73.4
95.04971	16.6
95.08608	40.0
97.06535	11.0
98.20730	5.3
104.08572	5.0
105.07015	40.3
107.08571	26.9
109.06509	6.9
109.10160	13.4
117.07005	11.6
119.08585	18.6
121.10127	18.7
123.08103	6.0
129.07011	12.4
131.08537	10.5
133.10095	10.2
135.11674	7.4
143.08588	7.8
145.10092	11.3
147.11667	35.8
149.13316	5.1
157.09972	4.9
161.13222	6.2
171.11696	18.0
207.13821	14.0
246.76608	5.2
275.20099	5.0
281.17444	40.9
313.21796	5.6
335.25766	59.7
355.26385	7.7
449.22443	7.8
476.21805	8.9
477.21872	10.0
537.23822	8.1
541.38800	100.0
546.20520	5.4
609.45850	6.3
623.27814	26.7
624.28308	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
55.01866	5.8
55.05502	25.2
55.58879	0.8
57.03431	10.6
57.07061	3.7
59.88843	1.0
60.00317	1.0
61.02906	3.0
65.03934	3.6
67.05495	69.4
68.05821	1.2
69.03422	12.5
69.06689	1.4
69.07056	21.9
71.01340	1.2
71.04604	2.0
71.04984	24.3
71.08626	1.0
73.02898	1.1
77.03901	1.7
79.05482	53.1
80.05785	1.6
81.03404	36.7
81.03881	1.9
81.07044	100.0
82.07381	2.0
83.04966	11.2
83.08606	13.9
84.14217	0.9
85.02894	7.3
85.06534	6.3
91.03957	1.3
91.05466	51.1
93.07030	48.5
94.07370	2.1
95.01327	1.9
95.04955	11.7
95.08590	36.6
96.08932	1.2
97.02869	12.0
97.06511	8.0
97.10159	3.7
98.20628	1.4
99.04431	4.9
99.08080	3.2
104.72610	0.9
105.07013	43.0
105.07726	2.1
106.07365	1.3
107.04958	6.9
107.08577	34.0
108.08906	1.4
109.02858	6.5
109.06521	8.4
109.10147	16.6
111.04417	3.1
111.08081	5.3
113.05981	1.6
115.05379	2.1
116.06207	1.2
117.07001	17.5
119.08566	28.8
120.08895	1.0
121.06529	4.2
121.10126	23.9
123.04356	1.3
123.08084	3.5
123.11684	11.9
125.09633	3.0
127.03894	4.9
127.28294	1.1
128.06258	2.5
128.31450	0.9
129.05470	3.9
129.07002	11.4
130.07785	1.8
131.08554	26.7
133.06487	2.8
133.10112	31.6
135.08038	4.7
135.11676	14.6
137.09579	2.7
137.13191	1.2
139.11209	1.3
141.06947	3.5
142.07785	2.1
143.08531	9.7
145.06447	1.4
145.10095	21.0
147.08026	3.7
147.11653	20.5
149.09576	4.3
149.13228	7.9
151.11145	5.3
153.06952	1.2
153.12727	2.4
154.07726	1.0
155.08487	5.4
157.06429	1.1
157.10095	11.6
159.08063	2.3
159.11667	19.4
161.09610	3.3
161.13235	12.8
163.11119	4.8
163.14798	3.6
165.12740	3.9
167.08594	3.2
169.10115	6.3
171.08104	1.6
171.11662	10.1
173.04454	16.3
173.09599	1.7
173.13222	10.0
175.11208	5.6
175.14764	5.2
177.12759	4.5
179.08533	1.7
181.10132	3.4
181.49989	1.0
183.11702	5.5
183.13588	1.1
185.09628	2.6
185.13232	6.8
187.11253	1.4
187.13266	4.8
187.14836	3.4
189.12680	2.1
193.10280	1.7
193.12248	5.5
195.11710	2.2
195.13733	2.4
197.13226	3.1
199.11095	1.4
199.14806	3.5
201.14674	1.4
207.11716	2.3
209.09595	1.1
209.13206	2.7
211.11195	1.4
211.13136	2.2
211.14928	1.6
213.12825	1.7
215.14281	1.5
223.11281	1.3
225.12709	1.4
225.14766	2.3
227.12616	2.4
227.16393	3.7
229.19426	1.3
229.69502	1.4
231.17383	1.1
231.21063	1.9
233.13274	1.4
237.16559	1.1
239.17775	1.5
241.19458	5.9
243.15810	5.6
243.21107	2.7
257.17230	2.2
257.19391	1.5
259.20712	11.0
261.22073	6.7
263.23483	1.2
267.15875	5.3
269.17502	3.8
273.18448	3.6
273.21814	1.0
275.20065	10.4
276.20526	1.4
277.21442	1.2
285.21814	1.3
291.19354	5.5
297.22043	1.5
299.18378	1.0
301.21967	1.1
315.23129	2.4
317.24631	4.1
323.23453	1.4
327.23187	1.7
333.24222	8.3
335.25797	3.1
337.21014	1.1
339.17978	3.0
339.23044	1.4
349.23773	2.3
351.23135	1.4
365.23175	2.1
367.22504	2.3
369.24170	2.4
393.31287	3.3
409.31110	2.5
411.19962	1.1
411.32422	3.7
413.21790	2.6
435.32684	1.9
441.26273	1.3
445.24054	2.1
449.43839	1.0
485.36139	4.2
496.29504	1.1
497.32397	1.1
501.35632	18.2
503.37238	67.8
504.37704	4.9
509.36023	1.5
527.37256	15.6
528.37201	1.6
533.38104	2.3
541.34991	7.2
559.35620	6.7
560.35748	1.5
667.41516	2.4
671.41101	2.1
685.40308	1.7
689.42371	5.9
703.40588	5.2
721.41052	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	721.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01866	6.4
55.05504	26.6
57.03424	10.8
57.07063	3.6
58.56505	1.0
59.05004	1.6
61.02912	4.7
61.88168	0.9
65.03936	4.4
67.05496	75.4
68.05791	1.1
69.03420	13.6
69.07062	19.9
69.42805	5.7
69.43237	4.4
71.01325	1.3
71.04610	2.0
71.04983	31.0
73.02916	3.6
76.49780	1.0
79.05483	49.1
79.53569	1.0
81.03406	32.5
81.07044	100.0
83.04970	11.9
83.08605	14.2
85.02902	8.1
85.06525	10.0
87.04456	1.1
91.03954	2.1
91.05466	51.6
93.07030	54.6
94.07345	1.3
95.04950	10.7
95.08589	32.0
97.02870	10.8
97.06516	8.7
97.10165	4.3
99.04446	4.6
99.08086	3.3
103.03948	1.2
103.05473	2.1
105.04514	1.2
105.07018	47.4
107.04935	3.9
107.08582	29.4
107.09312	1.2
109.02841	6.2
109.06511	7.4
109.10152	16.8
109.66811	1.4
111.04422	3.8
111.08090	3.2
115.05466	2.9
117.07008	20.4
119.08572	35.6
121.06492	3.3
121.10139	23.5
123.08051	3.1
123.11697	10.4
125.09602	2.4
127.03910	4.9
128.06210	3.5
129.05464	2.9
129.06979	15.3
130.07759	1.5
131.04866	1.3
131.08545	31.5
133.06494	2.6
133.10120	32.0
135.08029	3.5
135.11670	16.8
137.09569	2.3
137.13284	1.2
139.11166	2.1
141.07016	4.2
142.07732	2.9
143.08543	14.0
144.09369	1.4
145.06464	3.0
145.10100	24.1
147.08069	2.8
147.11667	24.8
149.09616	4.4
149.13248	8.9
151.11165	6.4
153.07022	1.5
153.12698	2.1
155.08553	5.9
157.06520	1.4
157.10109	17.7
159.08070	2.5
159.11662	21.6
161.09677	2.7
161.13234	11.2
163.11188	1.8
163.14793	2.3
165.12752	3.4
167.08557	4.4
168.09290	2.2
169.06369	1.2
169.10136	10.6
169.12184	1.3
170.10875	1.7
171.07961	1.7
171.11665	10.6
173.04454	11.9
173.09576	2.2
173.13254	10.9
175.11150	5.3
175.14833	5.5
177.12775	1.8
179.08710	1.4
181.10097	4.4
183.08080	1.2
183.11673	10.1
183.13281	1.3
183.13786	1.3
185.09685	1.6
185.13190	9.9
187.11351	2.1
187.13287	5.7
187.14847	4.9
189.12762	2.0
193.10332	2.1
193.12236	4.7
195.08051	1.5
195.11723	5.2
195.13765	1.8
197.13231	6.1
199.11241	1.7
199.13098	1.1
199.14853	4.4
201.14799	1.5
201.16475	1.9
203.14410	1.4
207.11803	1.4
207.13760	1.3
209.09798	1.5
209.13269	4.3
210.10405	1.2
211.11168	2.4
211.13145	2.8
211.14841	4.4
213.12718	2.0
213.16360	2.5
217.15825	1.2
219.17511	1.3
221.13301	2.2
223.14876	2.5
225.12843	2.3
225.14891	3.5
227.16396	3.0
229.14197	1.2
229.19447	1.3
237.05486	1.3
239.17892	1.4
241.19586	7.5
243.15765	6.0
243.21185	3.0
255.17564	1.6
257.17151	2.8
257.19208	3.2
259.20804	10.7
261.22177	7.5
267.15784	1.6
269.17520	4.9
271.20609	2.2
275.14432	1.1
275.20010	5.8
283.20447	1.5
285.21997	2.7
291.19705	1.9
295.20560	1.8
299.19141	1.2
299.23795	1.1
301.20099	2.3
309.22208	2.1
313.21713	2.4
315.23254	3.5
317.21136	1.4
317.24808	3.9
323.23691	1.4
325.21664	1.4
327.23157	1.8
333.24292	8.7
335.25720	3.1
339.18283	1.5
339.23050	2.3
345.24271	1.4
351.23050	3.3
367.22845	3.3
369.24112	2.9
382.81308	1.0
385.23788	2.8
393.31775	1.5
409.31046	1.6
411.32437	2.2
413.21606	2.9
415.28418	1.3
427.32956	1.1
435.32632	4.1
445.24142	1.8
453.33316	1.5
483.34329	1.4
485.36499	5.5
501.35858	17.6
503.37231	60.4
504.37469	2.3
509.36124	2.2
525.35559	2.3
527.37262	39.0
533.38147	2.3
541.35059	2.0
543.36438	3.0
559.40167	5.4
567.35773	1.2
575.38672	1.3
635.38922	2.9
653.40277	3.8
667.41949	3.2
671.41083	4.4
685.42352	4.3
689.42633	9.0
703.42810	3.6
721.44427	4.2
749.34784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
51.79631	1.6
53.03937	10.9
55.01864	16.0
55.05506	29.1
56.05265	1.4
57.03437	10.9
65.03918	2.9
67.05497	51.9
69.03428	18.1
69.07051	23.2
71.04971	10.4
71.08626	4.0
71.71214	1.6
71.71689	2.4
79.05483	57.6
81.03410	71.0
81.07047	100.0
83.04971	23.4
83.08605	27.2
85.02894	11.6
85.06516	4.8
88.31230	1.8
90.24089	1.9
91.05469	47.5
93.07035	47.0
95.04958	30.9
95.08588	31.7
97.02880	17.9
97.06510	16.2
97.10176	5.8
99.04446	4.9
99.08102	2.3
103.05505	1.8
105.06328	3.6
105.07010	46.0
107.04954	16.6
107.08578	30.0
109.02865	14.7
109.06503	32.2
109.10136	18.0
111.04421	15.4
111.08082	12.1
113.06012	3.3
115.05402	1.9
117.06983	11.7
119.08565	39.1
119.15341	1.6
121.06490	9.7
121.10127	22.3
123.04454	3.4
123.08068	9.7
123.11680	7.7
125.09609	6.2
127.03886	10.6
129.05484	2.5
129.06979	12.7
131.04907	3.4
131.08554	24.6
133.06461	5.0
133.10110	29.1
135.08026	8.7
135.11668	10.0
137.06029	1.9
137.09621	6.6
137.47316	1.7
141.06964	2.4
142.07776	2.2
143.08519	7.3
145.06473	4.0
145.10117	15.1
147.08032	4.8
147.11652	24.0
149.09619	10.5
149.13242	8.2
151.07474	2.4
151.11154	5.7
155.08580	3.6
157.10065	11.2
159.08005	3.6
159.11682	10.4
161.09618	4.9
161.13211	3.5
163.11179	8.6
163.14865	3.0
165.09109	1.9
165.12766	6.2
169.10051	2.3
171.11664	4.3
173.04590	2.0
173.09644	4.6
173.13200	5.4
175.11159	12.2
175.14876	1.8
177.12685	3.0
179.14323	3.3
181.12183	3.5
183.11682	2.9
185.13359	2.1
191.10678	5.0
191.14255	2.0
193.12234	31.1
195.11623	1.9
205.12352	2.7
209.13277	2.1
211.13257	38.0
211.15141	2.7
227.12740	6.6
229.14236	2.9
229.19550	4.2
239.17929	2.6
242.84245	2.5
247.20543	7.0
253.14342	3.0
257.19067	5.1
267.15936	14.5
273.15106	1.6
273.18481	5.1
275.20016	59.4
275.22992	3.3
285.16870	9.8
291.19534	7.2
293.21048	8.9
349.23706	22.4
355.17401	5.8
365.23169	3.7
367.24887	4.8
383.22189	5.3
393.19012	2.3
401.22940	4.7
407.81155	1.8
411.20068	3.4
413.21631	2.4
419.24402	2.6
427.91571	2.0
429.21085	10.7
449.29337	2.1
475.26971	2.9
541.35089	21.9
559.36102	22.1
577.37140	6.4
600.60480	2.1
667.37408	3.0
685.39276	6.0
703.40295	19.1
721.41254	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	719.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
53.69571	1.6
55.01868	7.2
55.05503	28.2
57.03434	9.0
57.07057	3.1
58.62418	1.2
59.04988	1.9
61.02913	10.4
65.03928	3.9
67.05495	70.8
69.03419	11.9
69.07059	28.6
69.76929	1.2
71.04972	14.6
71.71507	2.5
73.02904	5.9
73.06541	1.6
79.05483	63.7
81.03407	28.1
81.07043	76.3
83.04970	14.2
83.08610	14.1
85.02885	11.2
85.06528	5.8
91.03950	3.9
91.05467	70.9
93.07027	70.4
95.01322	3.3
95.04961	15.9
95.08586	42.5
97.02893	11.4
97.06515	16.1
97.10165	5.9
99.04424	3.4
99.08093	3.2
101.02363	2.0
103.05427	2.3
105.04484	1.7
105.07015	72.0
107.04949	10.6
107.08571	32.2
107.09239	2.6
109.02867	3.9
109.05839	1.5
109.06478	8.2
109.10129	17.2
111.04422	3.5
111.08073	2.8
115.05451	3.6
115.47465	1.5
117.06998	24.2
119.08561	45.8
121.06506	3.7
121.10117	16.6
123.04372	1.6
123.08022	6.6
123.11658	5.1
125.09640	3.2
127.03888	5.1
127.07488	1.2
128.06184	4.8
129.05469	2.5
129.06989	21.3
130.07791	1.7
131.08549	35.0
133.06421	2.7
133.10110	43.5
135.08044	3.9
135.11650	14.0
137.09598	1.5
141.06984	6.9
142.07756	3.8
143.08556	18.4
145.06480	2.4
145.10095	30.3
147.08018	2.4
147.11664	33.6
149.09619	7.1
149.13248	7.1
149.31577	1.5
151.11168	2.7
153.06947	1.8
155.08522	12.5
156.09326	1.8
157.06403	2.1
157.10103	18.4
159.07988	3.0
159.11665	22.7
161.09639	3.8
161.13231	20.3
163.11165	6.1
165.06995	3.6
165.12688	2.0
167.08563	6.6
169.10071	16.4
171.06532	1.9
171.08058	2.6
171.11653	26.8
173.04474	4.9
173.13214	14.6
175.11220	3.1
175.14801	8.8
177.12766	5.6
179.08577	2.5
179.14328	7.0
181.10107	7.5
182.10931	2.1
183.11674	14.9
183.13623	2.1
185.09647	3.1
185.13214	13.2
187.11211	3.1
187.14816	3.7
189.12718	4.5
193.10139	4.0
193.12132	1.6
195.11705	9.0
195.13568	2.2
197.13249	12.6
199.14853	5.3
201.12746	3.0
207.11836	2.6
207.13771	9.7
209.13268	7.2
211.14825	5.4
213.12671	1.8
213.16409	4.1
217.19456	1.9
221.13217	2.2
223.14848	6.0
225.16396	2.6
231.21063	3.0
235.14822	3.0
237.16359	3.5
239.18013	2.9
241.19479	12.3
247.20590	2.3
257.19012	6.1
259.20599	22.4
261.22192	1.8
275.20035	46.7
276.20502	2.5
277.21701	2.0
279.15897	5.1
281.17377	26.8
293.21146	3.4
295.20612	2.8
297.22116	3.6
299.20166	1.8
307.23080	1.7
311.23398	1.5
313.21631	2.4
315.23227	2.8
321.21881	2.3
325.73264	1.4
327.23166	1.6
333.24246	15.1
335.06503	1.6
335.23727	3.9
337.21576	1.7
337.25223	2.8
339.18030	3.1
339.23120	2.8
349.23965	3.0
353.24564	2.6
353.28677	1.9
377.19363	1.9
395.20673	2.2
419.33319	2.1
427.23267	2.4
429.31659	2.7
437.34113	10.1
447.27197	1.7
447.32605	16.7
455.35159	1.8
463.30249	1.4
465.33676	16.4
483.34860	10.0
511.38181	3.2
517.35107	3.0
521.36298	6.9
529.38782	9.1
531.36493	4.0
539.37280	100.0
540.37457	6.4
557.38354	62.9
558.38446	3.4
687.40729	4.5
701.42145	14.2
719.43683	20.4
720.43359	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.01856	6.9
55.05503	20.7
57.03413	7.9
57.07050	3.5
61.02922	10.3
65.03922	2.8
67.05493	55.8
69.03413	9.3
69.07056	21.6
71.04984	9.0
71.69988	1.9
71.70375	2.5
73.02901	5.1
73.06523	2.5
79.05482	47.0
81.03409	19.5
81.07046	53.3
83.04963	8.7
83.08600	11.9
85.02878	11.7
85.06534	4.4
91.03956	2.7
91.05464	61.2
93.07030	50.8
95.01299	2.8
95.04931	15.3
95.08592	29.3
97.02891	8.6
97.06510	9.7
97.10136	4.6
99.08041	2.1
105.07009	54.6
107.04931	7.5
107.08578	22.3
109.02866	2.7
109.06506	5.7
109.10130	11.3
111.08075	4.3
115.05403	2.7
117.06989	19.5
119.08558	29.3
121.06490	3.2
121.10124	9.7
123.08034	6.2
123.11695	3.8
125.09639	3.2
127.03896	3.1
127.05555	1.6
128.06216	4.3
129.06984	16.8
131.08545	23.9
133.06464	3.3
133.10120	30.3
135.08035	2.8
135.11652	7.9
135.88524	1.7
137.09598	3.3
141.06949	6.2
142.07816	2.2
143.08536	19.8
144.09338	1.9
145.06464	2.2
145.10098	22.9
147.08020	2.8
147.11664	26.0
149.09569	6.0
149.13203	6.3
151.11139	3.3
154.07634	2.9
155.08543	14.7
157.10081	17.6
159.08070	2.1
159.11641	16.9
161.09558	2.7
161.13249	15.7
163.11183	2.4
163.14853	1.7
167.08516	6.4
169.10104	14.6
171.07977	2.7
171.11650	26.2
173.13223	15.0
175.14839	6.1
177.12672	3.9
179.14285	2.8
181.10092	9.1
183.11664	13.6
185.13275	11.8
187.11090	2.2
187.13264	1.9
187.14789	3.8
189.12729	4.2
193.10149	2.6
195.11665	10.3
197.13260	12.2
199.14754	6.8
201.16245	2.0
207.11761	4.2
207.13791	5.9
209.13222	6.6
211.14726	4.0
221.13176	4.0
223.14775	4.1
225.16441	2.5
231.21117	2.1
237.16319	2.6
241.19534	8.5
251.18037	2.5
257.19177	4.5
259.20468	17.1
261.16156	2.5
275.20035	24.9
279.15909	3.7
280.88556	1.8
281.17386	20.9
297.22021	1.8
307.20236	1.7
311.20334	1.6
315.23181	2.4
323.23718	2.3
333.24216	13.1
334.25064	1.7
349.24411	1.9
419.33136	2.7
429.31726	3.9
437.33948	9.0
447.32501	12.5
460.13492	2.0
465.33768	18.3
483.34677	10.8
484.34521	1.9
485.34662	1.9
503.35272	2.1
511.37607	2.6
521.36078	8.3
529.38947	9.0
530.39636	2.1
531.36682	2.6
539.37286	100.0
540.37286	5.1
557.38330	71.7
558.38477	3.8
701.42572	14.8
719.43860	12.5
720.42926	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	719.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94489	0.9
70.33563	3.9
79.05496	0.9
81.07046	1.8
93.07058	0.9
98.21419	1.0
105.07023	1.1
117.05047	0.8
120.81391	0.7
130.88057	0.9
132.77925	0.9
223.08737	0.8
223.12456	1.1
225.13943	3.0
234.95822	0.9
237.13971	2.7
249.13991	1.7
251.08208	1.8
389.17917	1.0
393.21445	0.8
403.15225	1.8
417.17212	3.8
418.17828	2.2
419.18353	1.3
431.18707	1.6
432.19443	2.6
433.19962	4.7
445.16125	1.8
447.21786	9.7
462.20648	1.1
475.21228	27.2
476.22198	4.3
489.22806	1.4
493.22610	1.0
503.20853	3.8
519.23608	1.8
535.23297	16.8
547.23346	3.7
549.24896	1.7
554.58313	0.9
561.24854	4.6
562.25745	3.4
563.26361	2.8
590.24896	1.2
621.27264	5.8
622.27759	100.0
623.27979	5.3
701.32831	2.5
719.48010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74061	0.6
59.37894	0.6
66.30367	0.6
66.76214	0.6
67.05487	1.0
71.70415	1.1
79.05506	1.0
81.07046	1.3
93.07023	1.0
95.08588	1.1
124.71595	0.7
140.81279	0.6
152.58171	0.6
173.10733	0.6
195.09113	0.8
197.10704	0.9
204.06619	1.0
208.65398	0.6
209.10782	0.8
210.11482	1.3
211.12299	0.6
211.67947	0.6
223.12393	2.1
224.13066	1.0
225.10254	1.3
225.13741	3.2
226.14575	0.8
226.19386	0.7
237.13919	1.8
238.14684	1.2
249.10350	1.2
249.13928	2.0
251.08173	2.7
269.12830	1.0
275.15521	0.8
300.11856	0.7
314.12943	0.9
352.14569	0.8
368.14081	0.8
389.17999	1.0
403.19699	0.9
404.20322	1.0
405.20844	1.5
412.16800	0.9
415.16318	0.9
417.16718	3.2
418.17548	3.4
419.18372	1.4
427.18970	0.8
431.19083	3.4
432.19370	3.1
433.19885	4.8
434.20380	0.9
445.16495	2.1
446.21100	1.0
447.21912	11.3
448.22372	2.1
457.19952	0.8
459.22238	0.9
460.18954	2.5
461.19180	1.7
473.19604	0.8
474.20328	1.3
475.21213	28.3
476.21964	7.0
477.23254	1.2
487.21210	0.9
489.22397	0.9
493.22461	1.0
502.22913	0.7
503.20441	3.7
507.24023	0.8
516.21198	0.8
519.24042	1.6
521.25464	1.0
534.25909	1.0
535.23273	18.3
536.23993	1.1
547.23389	3.5
549.24860	2.8
561.24902	9.2
562.25635	3.3
563.26276	4.6
579.26172	1.5
589.24371	1.0
607.25439	1.3
621.27155	9.2
622.27765	100.0
623.27997	8.6
625.47192	0.8
719.33990	1.3
719.46472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85305	0.8
53.03930	3.0
55.01859	3.6
55.05508	15.7
55.05782	0.6
57.03431	11.4
57.07063	1.5
59.04991	4.0
61.02909	3.7
65.03931	3.4
67.05495	98.2
68.05810	1.1
69.03423	3.4
69.07059	17.0
70.66986	1.8
70.67351	1.4
71.04630	0.9
71.04979	5.6
72.39469	0.7
73.02902	1.4
79.05482	25.4
80.05792	1.0
81.03409	5.3
81.07044	71.8
82.07366	1.7
83.04977	5.8
83.08616	13.9
85.02877	4.3
85.06519	4.5
91.03954	1.5
91.05466	27.2
92.05790	1.1
93.07031	21.7
93.07586	1.6
94.07331	0.8
95.01271	0.8
95.04960	9.2
95.08588	21.0
97.02873	3.1
97.06511	5.8
97.10167	1.8
99.04473	1.4
99.08066	1.9
101.06024	1.2
103.03997	0.7
105.07009	22.3
106.07312	0.9
107.04944	6.9
107.08580	15.1
109.02880	1.1
109.06506	18.4
109.10140	75.9
110.10458	0.9
111.08067	6.4
117.06999	5.9
119.08559	22.9
119.09412	1.3
120.08856	1.2
121.06477	4.1
121.10119	9.3
123.08038	7.1
123.11708	5.1
125.09615	3.0
125.97350	0.7
127.03902	1.4
127.11155	0.9
128.74280	0.7
129.06984	2.7
131.08543	9.5
133.06444	1.1
133.09164	1.4
133.10106	15.0
135.08031	2.9
135.11679	5.4
137.09578	5.3
141.06981	0.9
143.08566	2.2
145.06468	1.0
145.10092	7.9
147.08034	1.4
147.11681	12.6
148.12015	1.0
149.02348	3.6
149.09576	6.1
149.13206	5.7
151.11160	2.5
155.08572	1.4
155.10657	4.0
156.40710	0.7
157.10109	2.9
159.08101	0.9
159.11716	6.6
161.09622	1.8
161.13226	2.8
163.11172	4.9
163.14857	1.3
165.12740	2.9
167.43706	0.8
169.10135	1.9
171.11642	2.5
173.11737	25.7
173.13214	3.4
175.11140	2.7
177.12669	2.8
179.75906	0.9
183.11696	1.3
185.13257	1.1
187.14825	1.3
189.12794	1.0
193.04962	1.4
193.12201	1.0
197.13176	1.4
205.83405	0.8
207.13762	0.8
211.13257	1.8
215.14215	0.7
227.12727	2.3
229.14323	100.0
229.19296	2.6
230.14670	1.3
239.17999	1.5
247.20534	2.3
257.04376	1.0
257.19019	4.3
267.15863	2.4
273.03925	2.6
274.04224	1.1
275.20035	48.6
276.20471	1.3
277.21655	0.8
282.17764	1.1
285.03848	1.3
291.19418	0.9
293.21082	10.6
299.05466	1.0
303.04971	1.1
330.16586	0.8
339.21634	0.7
349.23676	28.9
367.24756	18.6
395.27820	1.4
429.11569	1.4
447.37439	0.7
473.14700	3.4
485.32547	1.7
503.33621	93.3
504.33557	2.5
506.46017	0.9
521.34674	54.0
522.35223	1.9
543.20660	0.8
555.34998	0.8
556.36945	1.5
568.25592	2.3
598.27167	1.4
622.26459	1.1
682.28583	1.1
685.95728	0.8
718.38049	0.9
726.01959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.9
53.03945	1.1
55.01864	3.2
55.05484	0.8
56.05032	1.9
58.99596	0.5
61.02915	0.5
62.06077	0.9
63.64836	0.7
64.34233	0.5
65.03930	3.9
67.05476	2.5
68.76125	0.4
68.99764	0.8
69.03420	1.6
70.06590	2.3
71.04998	1.0
71.70628	0.9
73.02892	0.7
74.06070	1.0
75.04468	2.3
77.03934	0.8
78.04708	1.6
78.30843	0.5
79.05480	5.1
81.03417	2.5
81.07053	2.0
82.04146	0.5
84.04509	1.0
84.08127	0.9
85.02879	3.6
86.09712	1.6
86.84954	0.5
88.75841	0.5
89.03914	0.8
89.05976	1.0
91.05470	9.1
93.03378	6.5
93.07030	3.1
94.04176	1.4
95.04950	5.9
97.02859	0.6
97.06529	1.9
102.90749	0.4
103.05450	24.2
105.03376	1.7
105.04498	0.5
105.07016	4.7
106.04154	10.6
106.04816	0.8
107.04932	7.4
107.08590	0.7
108.02077	1.6
108.02799	0.6
109.02840	0.7
109.06509	1.9
110.03609	0.7
111.04448	1.4
111.08070	0.8
115.05429	3.6
117.03345	1.0
117.06980	4.2
118.04146	4.2
119.04961	3.0
119.08591	0.6
120.05730	1.1
121.02854	1.2
121.06488	14.4
122.03638	3.6
123.04430	3.3
123.08043	0.6
124.05209	1.4
125.05963	6.2
125.09648	0.7
128.06252	0.5
129.06978	1.7
129.10199	0.8
130.04131	1.7
131.04906	38.3
132.05685	1.5
133.02852	1.9
133.06467	4.9
134.03622	2.4
135.02733	0.6
135.04385	2.1
135.08022	2.0
137.05952	64.8
138.06464	0.7
139.07541	1.8
141.05424	2.4
143.04890	2.1
144.79172	0.5
145.06458	3.8
146.03618	0.8
147.04398	2.0
147.08043	1.4
148.05165	9.8
149.05960	23.7
151.03883	79.0
151.04951	5.1
151.07501	2.2
152.04329	0.8
152.08321	0.7
153.05435	3.4
153.09088	6.4
156.13821	1.3
157.06503	1.5
159.04399	1.4
159.07986	1.0
160.05183	1.5
161.05968	4.5
162.01346	1.8
162.06673	0.8
163.03880	3.1
163.07510	24.7
165.05479	3.9
165.09096	0.9
166.06223	0.8
167.07013	16.2
167.08183	0.6
168.07326	0.7
171.04349	1.9
171.06523	1.2
172.05164	0.6
173.05907	3.6
174.06711	0.8
175.07533	6.2
176.04691	3.1
177.05446	20.7
177.09039	1.2
179.01541	1.1
179.06982	1.3
179.08459	0.8
181.04944	21.4
181.08543	13.7
181.10115	1.1
184.07245	0.6
185.06007	0.5
187.07533	2.5
189.05414	1.4
189.09039	1.4
189.10719	0.5
190.00800	1.0
190.06183	0.6
191.06996	100.0
192.07657	1.4
193.04944	1.3
193.08569	3.1
194.07217	0.7
195.06546	3.2
201.05376	0.7
203.06975	3.2
205.06476	1.5
205.08562	3.3
207.08279	0.9
207.10175	1.8
208.01845	1.3
209.08052	83.1
210.08403	1.4
213.05568	0.8
217.08595	1.7
219.08116	0.9
219.09912	2.6
221.07950	1.3
223.04202	18.9
223.09604	0.9
225.07506	0.6
227.06993	1.1
233.06039	0.8
233.08006	3.5
234.06673	0.7
235.07588	0.9
235.09628	3.4
237.09019	1.5
245.08011	1.3
249.09096	1.5
251.06972	0.9
252.07578	0.7
257.08258	0.6
259.11386	0.6
263.06439	1.1
263.09109	15.2
265.08521	1.8
267.10065	1.7
277.08487	1.6
279.10040	0.7
283.09476	1.0
293.08081	1.1
294.08630	0.6
295.09607	1.5
297.11243	1.0
299.09015	0.6
299.12589	1.0
300.08960	0.6
305.07803	0.6
307.09689	0.9
309.11252	0.9
312.08929	1.9
314.11462	0.9
323.09048	0.6
325.10663	1.5
327.12234	3.2
329.13675	2.0
330.09946	0.7
337.10565	1.9
338.03494	0.5
339.12088	0.7
341.13644	1.2
351.12225	0.8
355.11679	8.2
357.13214	1.8
359.14658	1.9
362.42389	0.5
369.13327	4.0
387.14334	30.1
520.31921	0.8
538.33081	0.7
547.19507	1.2
556.34210	1.2
579.21790	2.0
686.41315	1.9
717.46106	0.8
718.39032	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	718.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03947	1.9
55.01852	3.0
55.05496	0.6
57.03416	0.7
60.00421	0.5
65.03926	3.7
67.05502	1.9
69.03415	0.7
70.06583	3.2
71.69692	0.7
72.08140	0.8
75.04459	2.9
78.04707	1.7
79.05488	3.1
81.03409	2.5
81.07044	1.6
82.99710	0.6
84.08123	1.2
85.02886	4.2
86.09693	2.6
89.03945	0.8
91.05464	9.3
93.03384	7.9
93.07027	4.0
94.04166	1.4
95.04958	6.8
97.06536	1.8
103.05444	26.6
105.03361	3.6
105.04510	1.1
105.07001	4.1
106.04161	13.3
107.04926	7.4
107.08561	0.8
108.02079	1.4
109.02867	0.7
109.06499	1.7
110.07202	0.7
111.04430	1.6
112.54123	0.6
115.05414	3.9
117.03383	0.6
117.07027	3.3
118.04136	4.2
119.04926	2.3
119.08600	0.7
121.06487	16.4
122.03618	3.7
123.04366	3.3
123.08025	0.6
124.05170	1.2
125.05971	7.6
128.06230	0.7
129.06975	1.4
129.10201	0.8
130.04124	2.0
131.04901	37.9
132.05681	2.2
133.02817	2.5
133.06451	3.9
134.03577	2.9
135.04404	1.7
135.08026	2.4
137.05949	66.5
138.06306	0.7
139.07523	1.9
141.05457	2.5
143.04938	1.6
144.05635	0.9
145.02768	1.2
145.06447	4.3
146.03651	1.7
147.04413	1.5
147.07970	1.3
148.05165	11.7
149.05949	26.7
151.03882	81.0
151.04951	4.8
151.07512	2.5
152.04340	0.6
153.05411	2.0
153.09056	7.1
157.06465	1.7
159.04359	1.2
159.08095	0.8
160.05156	1.4
161.05952	4.5
162.01279	0.9
162.06683	1.1
163.03889	2.2
163.07509	26.0
163.08878	1.2
163.11099	0.6
165.05548	3.5
165.06743	0.7
167.07013	16.4
171.04439	0.8
171.06577	0.9
173.05959	3.8
174.06721	0.8
175.03879	0.7
175.07524	6.0
176.04672	3.0
177.05435	19.6
177.09091	1.1
179.01602	1.1
179.07005	1.5
181.04927	23.0
181.08562	16.5
184.07344	1.1
187.07541	2.7
189.05438	1.7
189.07072	0.8
189.09070	1.5
190.00797	1.8
190.06221	1.0
191.06993	100.0
192.07629	2.4
193.03233	1.0
193.04872	1.1
193.08528	2.6
195.06438	2.3
199.07602	1.1
201.05403	1.4
203.06981	3.2
205.06616	1.2
205.08557	2.4
207.10263	1.0
208.01836	1.2
209.08047	92.8
210.08470	1.5
217.06671	0.7
217.08611	1.7
219.10126	2.0
221.07918	1.1
223.04202	17.4
223.07451	0.7
223.09552	1.5
227.06903	0.8
233.07961	2.9
234.06580	1.4
235.07552	1.1
235.09612	3.0
237.09058	1.7
240.07582	0.8
241.08545	0.8
245.08006	1.5
249.08965	1.5
251.06998	1.0
262.27106	0.6
263.09116	14.3
265.08585	2.0
266.09268	0.7
267.09888	1.5
277.08582	1.4
279.09903	0.8
285.03833	1.1
293.08069	0.8
295.09506	1.7
299.12677	0.8
307.09592	0.6
309.11084	1.5
312.09021	2.0
325.10580	1.6
327.12125	2.4
329.13690	1.8
337.10480	1.3
341.13745	0.7
347.55453	0.6
351.12207	1.4
355.11676	7.9
357.13116	2.1
359.14578	1.1
369.13220	3.6
387.14304	27.1
388.14499	1.0
417.15707	0.8
547.19183	1.0
556.38934	1.0
579.21649	0.8
717.46149	0.7
718.45569	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	715.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13187	0.2
55.05495	0.6
59.95714	0.3
62.39383	0.3
65.57870	0.2
67.05492	1.1
69.07076	0.3
70.03746	1.2
73.68516	0.3
79.05484	0.9
81.07039	1.3
83.01105	0.8
83.08641	0.4
91.05466	0.8
93.07019	0.5
93.52134	0.2
95.01109	0.8
95.04943	0.4
95.08608	0.7
97.02728	0.5
97.10153	0.4
105.07014	0.7
107.04974	0.3
107.08598	0.7
123.04201	0.3
125.09635	0.3
127.03682	0.3
131.08551	0.4
133.03456	0.3
133.10104	0.3
135.04478	0.2
135.07996	0.3
135.24149	0.3
141.05229	0.4
156.03918	0.3
157.04704	0.5
169.04692	0.5
175.11221	0.3
184.03316	0.4
185.04190	2.1
201.03700	1.7
203.05261	2.6
234.36778	0.3
241.06932	0.3
257.06390	0.9
259.07895	2.5
273.18472	0.3
275.07138	0.3
285.03992	0.9
301.09033	0.4
305.08237	0.4
317.08450	0.8
317.19739	0.6
319.09961	1.5
323.05612	0.3
327.05157	0.3
329.08334	0.6
331.10019	2.8
335.20657	0.5
345.11508	0.4
347.09369	4.4
363.08826	2.0
365.10461	4.7
373.14777	1.0
391.24570	1.0
401.18008	0.8
415.19424	1.1
421.13107	2.5
437.12955	0.9
441.20929	0.5
455.22311	1.0
483.21902	2.3
493.15213	4.6
507.16843	0.7
514.87378	0.3
521.18475	1.2
535.20044	1.8
535.28046	0.5
549.21558	0.6
553.29706	13.8
554.30151	1.1
563.23022	0.8
577.24432	2.0
617.27527	0.8
645.27618	1.0
697.34955	0.4
715.34979	100.0
716.35242	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	717.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.1
53.34235	2.4
53.94732	2.1
55.01863	29.3
55.05504	25.6
57.03414	8.1
58.27303	1.8
58.32919	2.2
64.76034	2.0
65.03927	4.5
67.05494	66.5
69.03419	15.2
69.07057	41.0
70.45405	1.8
71.04970	5.9
71.70055	2.6
79.05479	66.3
81.03402	44.0
81.07043	79.8
83.04967	21.9
83.08607	12.9
85.02896	10.4
85.06522	2.3
91.05466	87.7
93.07031	63.6
94.23114	2.0
95.01299	11.3
95.04956	29.3
95.08586	47.4
97.02876	6.4
97.06523	45.2
97.10159	5.1
99.04433	5.9
103.05456	6.8
105.07012	100.0
107.04935	26.0
107.08572	26.7
109.02884	6.9
109.06492	12.0
109.10149	12.3
111.04406	4.2
111.08035	3.8
115.05447	5.5
117.06993	31.2
117.07796	3.3
119.08555	51.3
121.06477	8.6
121.10130	13.9
123.04401	4.0
123.08045	9.3
125.09596	5.1
127.03881	2.9
128.06215	7.0
129.06970	21.7
129.77512	2.1
130.07748	2.0
131.08543	35.3
133.06474	8.9
133.10097	45.8
135.08032	3.7
135.11697	11.5
137.09587	3.0
141.06993	6.1
142.07724	4.1
143.08517	15.1
145.06482	8.3
145.10094	25.1
147.08026	6.7
147.11642	25.8
149.09578	8.2
149.13231	7.2
151.11182	2.5
155.08533	5.9
157.06387	2.2
157.10092	8.1
159.08038	5.0
159.11674	16.8
161.09642	4.5
161.13243	13.7
163.11151	6.6
165.09149	5.8
165.12767	3.0
167.08536	5.5
169.10124	8.9
171.08083	3.6
171.11668	13.9
173.04443	5.4
173.13248	6.1
177.12741	8.1
179.14290	17.7
181.10112	4.4
183.11673	5.9
185.09656	3.7
185.13210	3.5
187.11128	6.5
189.12762	4.9
195.13812	3.5
197.13255	4.8
205.12187	3.6
207.13722	4.0
209.13321	2.6
223.14908	3.4
225.14624	2.1
229.19554	4.1
239.17918	4.1
241.16176	3.8
245.15390	2.4
247.20735	2.6
251.14224	5.4
257.19019	12.3
259.16910	4.1
259.20438	2.5
269.15375	6.8
275.20010	88.9
276.20401	4.4
279.15887	9.4
281.17477	8.2
287.16318	8.2
293.21063	5.7
315.15958	2.8
343.19077	3.0
349.23721	35.3
351.18161	2.2
361.20050	5.2
381.56787	2.1
425.21863	12.5
526.87201	2.7
537.35754	4.8
555.36700	42.8
635.39227	5.2
699.40833	12.8
700.41058	2.4
717.45923	23.7
718.44885	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01864	6.3
55.05507	13.4
57.03418	2.9
61.75766	1.9
65.03944	2.3
66.63265	2.1
67.05493	31.6
69.03394	2.9
69.07056	11.8
70.06575	4.1
71.71353	3.5
79.05480	28.7
81.03390	8.5
81.07047	60.4
83.04962	5.3
83.08583	4.4
85.02885	4.6
85.06535	2.4
91.05468	19.2
93.07025	17.3
95.04958	7.7
95.08606	18.2
97.02911	3.4
97.06530	5.8
97.10137	4.6
105.07007	19.9
107.04934	3.7
107.08564	11.2
109.06506	6.1
109.10130	8.4
115.05442	2.3
115.28722	2.3
117.06977	6.4
119.08554	11.5
121.06460	4.4
121.10108	7.8
123.08043	6.0
123.11705	3.7
126.23036	2.0
129.06982	2.3
131.08566	5.4
133.10066	7.9
135.07954	3.0
135.11700	4.5
137.05934	2.6
141.06941	2.4
143.08583	3.7
145.06563	2.7
145.10066	7.1
147.11670	7.3
149.09496	3.9
153.01874	2.2
155.08403	2.5
159.11699	2.6
161.09718	2.4
163.11125	5.2
177.12663	2.3
185.13432	2.6
211.03830	2.3
227.12790	3.5
239.03201	2.6
241.04834	4.9
245.04381	3.3
255.06758	2.6
257.04388	9.2
267.06534	2.5
269.04431	14.3
271.05792	5.6
273.03922	21.8
275.20056	12.7
279.06503	3.9
281.04419	5.8
282.05209	3.0
283.05933	9.5
284.03088	16.2
285.03897	96.9
286.04510	8.3
287.05435	20.1
294.05084	5.3
295.06073	13.7
295.09045	3.6
297.03912	97.6
297.07251	4.4
298.04608	22.6
299.02060	4.8
299.05386	26.4
300.02579	3.4
303.04962	5.3
307.06143	10.7
308.06744	4.4
309.03882	8.4
309.07553	8.9
310.04669	13.9
311.05447	100.0
312.02505	2.8
312.05936	7.2
313.03317	8.6
313.06705	4.0
315.05133	10.9
318.05267	2.8
319.05972	4.4
321.03894	8.5
321.07388	2.7
322.04556	3.0
322.08206	2.9
323.05502	37.6
323.08990	3.5
324.06131	6.0
325.03305	5.9
325.07010	12.0
326.04132	5.6
326.07632	3.2
327.04901	10.9
331.06003	5.2
333.07486	3.5
335.05484	10.7
336.06018	5.4
337.03412	4.7
337.06961	17.9
337.10663	4.7
339.04980	37.7
339.08731	1.4
340.05591	3.6
347.05222	4.9
349.07095	16.0
350.04019	5.3
350.07925	5.8
351.04858	23.1
351.08640	6.2
352.05463	4.8
353.06232	5.4
353.10120	12.3
355.11783	4.2
361.07050	6.0
362.07568	2.9
363.04868	19.6
363.08719	5.5
364.05527	5.6
365.10217	75.3
367.11731	8.6
369.06253	2.9
375.08655	5.5
377.10175	7.5
379.11819	15.3
381.05847	5.0
389.10706	4.3
391.03922	4.0
391.11755	5.8
395.11340	20.9
403.12204	3.1
405.13257	5.1
407.11331	13.7
418.10361	3.4
419.11313	10.9
431.11063	6.0
433.16809	3.4
442.16757	3.2
449.12317	6.3
461.11807	5.3
463.17346	2.5
473.15820	9.0
479.17346	27.3
480.17587	3.9
491.17218	4.1
508.17331	3.9
515.16931	3.3
519.23468	3.8
533.17706	3.3
535.22986	5.4
541.21851	8.2
545.17920	3.7
547.23254	82.9
548.23438	5.0
553.30054	3.7
557.17621	9.3
559.23157	41.0
565.24414	28.9
575.19147	5.5
577.24219	37.0
583.23138	10.6
595.24780	9.4
597.24518	6.7
601.24219	41.5
607.23083	3.1
613.24011	6.1
619.25342	50.3
625.24084	21.2
631.25348	33.5
643.25110	50.6
644.24878	3.9
649.26111	3.9
661.26251	25.5
679.16486	3.2
679.27222	29.6
681.23053	2.4
697.27869	3.2
715.35211	37.4
715.46625	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	714.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05497	5.6
56.05028	3.3
57.07065	2.7
58.06301	0.4
58.06585	0.9
60.04517	2.5
61.02923	0.7
64.20531	0.5
65.03923	0.8
67.04244	0.5
67.05491	12.5
68.05008	1.2
69.03418	1.0
69.06698	0.5
69.07058	8.6
69.91981	1.5
69.92417	1.4
70.06580	1.9
71.08606	1.8
77.50060	0.4
79.05480	9.0
80.05016	3.3
81.03400	0.7
81.05781	1.1
81.06602	0.8
81.07042	10.7
82.06568	6.9
83.08602	3.8
84.08131	0.5
85.02911	2.1
85.10158	0.8
91.05468	8.6
93.05780	0.5
93.07028	9.0
94.06551	17.2
95.04956	1.9
95.07338	6.7
95.08590	8.7
96.08121	5.8
97.06498	0.7
97.10144	2.4
98.06020	0.6
105.07017	6.5
107.08566	5.8
108.08109	2.8
109.10148	3.5
111.11691	0.9
119.08565	5.3
121.08858	0.6
121.10124	5.4
122.09639	2.0
123.11677	1.0
133.10091	3.3
133.16705	0.4
134.09637	0.5
135.11696	3.3
136.11183	0.6
139.53709	0.6
147.11635	1.5
149.13237	1.0
161.13210	1.3
163.14766	0.7
182.28883	0.4
184.07434	0.7
205.19472	0.5
206.61493	0.4
208.63951	0.5
216.63605	0.5
219.21104	0.9
227.16154	0.5
233.22543	3.6
245.22600	4.3
250.25276	7.1
254.24802	1.7
262.25266	100.0
263.23193	0.7
263.25821	2.8
272.25842	4.7
280.26318	7.0
362.79584	0.5
432.16840	0.5
504.47684	4.7
516.47699	23.3
517.47900	2.4
518.49200	3.9
534.48706	14.1
696.53961	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	714.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
57.03418	1.6
61.02912	1.4
67.05496	1.4
69.03419	5.0
69.07051	0.7
69.45029	0.7
69.90540	1.5
69.90952	4.2
70.06583	2.7
71.04972	1.2
72.06634	0.7
72.08152	0.8
73.02896	2.2
79.05479	2.0
81.03406	2.8
81.07063	0.8
84.08173	0.8
85.02882	6.6
86.09678	2.1
87.04478	1.0
91.05466	1.9
93.07042	1.6
94.06561	3.6
95.04986	0.9
95.07358	1.0
96.08125	3.1
97.02863	3.6
97.06518	0.9
99.04417	0.8
103.05459	1.4
105.07037	1.4
106.33282	0.6
107.04955	0.8
107.07329	1.2
108.08084	6.7
109.02869	1.8
110.07190	0.9
110.09665	4.9
116.65817	0.8
120.04482	2.3
120.08083	7.5
121.02885	0.7
122.06015	7.2
122.09651	4.0
124.07579	1.0
127.03925	2.1
131.04890	1.2
132.08087	0.7
134.06023	0.7
135.04366	0.8
136.07538	11.9
137.05965	2.6
137.31989	0.6
138.05450	1.6
138.06410	0.9
138.09134	9.5
145.02849	1.1
145.06425	0.9
146.05977	1.6
148.07538	5.3
150.05533	0.9
150.09113	8.4
152.07050	2.4
161.06015	0.8
164.07002	1.3
166.08609	22.2
167.07039	1.7
168.10156	0.7
174.05505	0.8
176.10707	1.4
177.05486	1.4
180.10179	1.0
184.09955	0.7
190.04999	1.0
194.08080	1.7
196.09789	0.8
197.10829	1.5
199.12303	0.6
209.10603	1.2
210.11363	0.7
211.12354	2.1
221.10706	1.0
223.08800	0.9
223.12332	1.4
224.09523	1.2
225.10185	4.9
226.11035	1.2
227.11841	2.9
233.10854	1.7
234.11234	0.9
235.08720	2.5
235.12234	1.4
236.09352	1.8
237.10179	12.3
237.13832	0.8
238.10957	3.2
239.08232	1.1
239.11777	5.0
241.09653	1.2
247.08736	0.7
248.09425	2.7
249.10219	10.2
250.10941	3.7
251.08000	3.5
251.11786	10.5
252.12511	2.2
253.09731	6.7
253.13530	1.4
254.10425	1.1
255.11249	4.4
261.10199	7.0
262.10983	2.5
263.09045	1.3
263.11710	7.6
264.08911	1.2
265.09677	15.8
266.10318	2.4
267.11292	9.4
267.14099	1.0
268.12048	1.1
269.09177	0.9
269.12827	1.2
271.10773	2.0
273.12384	1.0
276.09000	1.0
277.09790	2.8
278.06995	1.4
278.10501	6.1
279.07733	2.7
279.11200	18.9
280.08405	0.8
280.11807	3.6
281.09186	3.6
281.12854	4.7
282.09988	1.6
283.10724	7.2
285.03888	1.1
285.12308	1.4
287.14035	1.3
289.09680	15.6
289.12799	1.3
290.10327	1.0
291.11224	5.9
292.11798	0.9
293.09210	6.9
293.12802	5.2
294.10031	4.7
294.13217	0.8
295.10760	5.4
295.13889	1.2
296.11615	3.5
297.08878	0.8
297.12354	2.9
298.12915	1.1
299.10312	2.1
306.09912	1.4
307.10645	6.1
308.11447	2.7
309.08929	1.2
309.12152	6.1
310.13025	1.4
311.10266	8.0
311.13904	2.9
312.10822	4.6
313.11670	3.8
314.12686	2.0
316.14481	0.8
317.09262	2.1
321.08655	1.2
321.12109	1.5
323.10248	2.8
323.13989	3.3
324.11014	4.1
325.11789	5.6
326.12473	4.1
327.13345	7.2
328.14127	1.1
329.15039	0.9
335.10208	24.9
336.10803	2.6
337.11707	4.4
339.13345	58.2
340.10092	4.0
340.13922	2.9
341.11307	6.8
341.15030	1.4
349.11752	1.5
352.10327	1.0
353.11230	14.7
354.11975	6.7
355.12811	19.1
356.13333	1.7
367.12827	45.1
368.13370	2.3
371.12350	0.9
398.18671	1.1
399.15695	0.8
414.18149	1.0
416.20151	0.9
432.19455	1.0
442.17679	1.0
444.19122	1.4
447.17950	0.9
459.18347	1.1
460.18607	5.3
470.16913	1.1
472.18799	1.4
474.20282	1.6
478.19693	1.8
479.20569	0.9
488.18091	33.2
489.18536	2.1
492.21216	1.6
502.19693	1.3
506.19125	22.8
507.18967	0.9
517.18152	0.8
520.20746	26.0
521.21106	1.5
534.18066	1.8
534.54456	0.8
548.20288	1.0
594.19189	1.0
622.23657	2.6
632.22339	2.7
650.23285	15.5
651.23981	1.1
654.25977	1.9
682.25909	100.0
683.26202	9.2
714.28149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03943	0.5
55.01860	1.1
55.56978	0.5
56.26604	0.4
57.03442	0.6
57.14064	0.4
62.95959	0.4
63.30650	0.4
65.03923	0.7
68.99782	10.4
70.53662	1.6
70.70640	0.4
75.66993	0.4
76.38293	0.4
81.03400	2.7
84.68099	0.4
85.02885	2.3
87.00759	0.4
89.03896	1.2
89.25035	0.4
91.05435	0.7
95.04945	0.9
103.05451	0.7
105.03400	0.5
107.01286	0.5
107.04932	1.6
109.02859	3.0
111.00793	3.6
111.04419	5.1
115.05425	1.8
117.03322	1.2
117.06982	1.0
119.04874	0.4
121.02833	0.6
123.03507	0.8
123.04408	15.8
127.03896	14.0
127.05316	0.8
129.07047	0.4
131.04916	2.2
135.04396	23.4
137.02298	1.8
137.05956	2.3
139.03876	10.1
139.05478	0.6
143.04881	2.8
145.02835	2.7
145.06470	3.0
147.04381	0.6
149.02274	1.5
149.06015	1.0
151.03874	5.5
152.40099	0.5
153.01819	2.1
155.04892	7.4
157.06429	0.7
159.04378	1.9
161.05923	2.8
163.03877	43.2
167.03389	0.6
169.06544	0.6
171.04410	0.4
173.05972	7.3
177.05429	1.9
179.03357	1.1
179.45551	0.4
180.78931	0.4
181.37770	0.4
183.04398	8.1
185.05936	0.8
187.03854	5.6
191.06972	0.9
197.05937	1.2
201.05432	15.8
203.06961	0.7
205.04930	1.1
211.03839	2.5
213.05336	1.3
215.06990	0.8
219.02907	0.6
219.06477	5.9
223.02274	0.9
225.05348	2.0
227.03407	0.9
228.04088	0.7
229.04915	11.3
231.06458	1.0
239.03279	0.7
241.04941	3.2
243.02910	0.6
243.06480	1.1
244.03831	0.5
245.04390	0.9
247.05978	100.0
248.06308	1.3
253.04871	3.6
255.02789	0.7
257.04425	7.6
258.05118	1.2
259.06058	1.2
260.03149	1.3
261.03894	1.6
261.07532	1.7
263.01602	0.6
265.04797	1.0
267.02911	0.9
267.06381	0.9
269.04364	3.4
270.05106	0.8
271.02451	1.3
271.05954	12.2
273.03882	36.7
274.04391	1.8
277.04855	0.8
279.06516	1.3
281.04434	5.1
282.05011	0.5
283.02310	6.1
283.05884	1.8
284.03082	7.1
285.03900	21.4
285.07233	1.2
286.04526	1.9
287.01987	0.6
287.05267	1.9
289.04007	0.6
289.07080	5.8
295.02353	1.1
295.05933	2.7
297.03888	8.3
298.04633	3.3
299.01849	1.4
299.05405	10.0
301.03336	1.4
303.04922	15.3
305.04315	0.7
307.05972	1.4
309.03918	6.6
309.07315	0.6
310.04599	1.4
311.05414	4.7
312.06250	1.4
313.03354	6.8
313.07028	3.1
315.04935	18.3
317.04251	0.5
319.05814	0.9
321.03857	0.8
323.05359	5.3
325.03470	5.2
325.06915	0.8
327.04938	24.7
331.04480	2.7
333.03848	0.8
335.05383	1.9
337.03375	8.5
337.07077	1.0
338.04117	0.5
339.04965	8.2
341.06479	7.2
345.06024	7.2
347.05362	1.7
349.03281	1.0
351.04932	6.9
353.06638	0.9
355.04407	4.4
355.08176	0.6
357.06061	5.7
359.05551	0.7
363.04761	1.4
365.06430	1.2
367.04297	0.6
369.05978	15.7
375.04874	0.9
377.06241	1.4
379.04388	2.1
381.05997	3.8
387.07050	5.6
389.06561	0.8
391.04376	10.4
391.09079	0.7
392.05048	4.2
393.05945	11.9
397.05508	1.9
399.07034	2.1
403.04477	1.0
405.08173	26.9
409.05566	2.4
411.07025	1.8
415.06567	1.0
417.05899	3.3
419.07901	2.5
421.05438	5.6
423.07007	5.5
423.47766	0.5
429.08273	3.3
431.07816	2.4
433.04730	0.6
435.06976	1.9
439.06671	5.3
443.07706	1.1
447.09232	19.1
448.09985	0.7
457.05618	1.3
459.06985	1.5
463.06534	10.0
465.09967	1.0
469.05609	0.6
471.07025	1.4
475.06616	10.6
477.07971	1.7
487.06616	5.0
489.08096	3.3
493.07611	0.6
501.08023	0.7
505.07660	6.5
507.09244	2.3
513.07898	0.6
523.08673	8.7
525.10156	5.6
541.09680	10.7
543.09015	3.5
549.10358	0.7
553.09613	0.7
561.09998	1.7
573.10028	1.8
591.11359	2.1
597.09937	1.7
609.09766	0.4
615.11041	2.8
621.09711	0.6
627.10339	0.7
639.11401	0.5
639.85468	0.5
657.12030	0.8
675.13135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97511	2.4
55.01851	11.8
68.67733	3.1
69.03397	2.5
69.99874	16.0
72.69076	2.5
73.98029	2.9
82.85445	2.4
85.02911	3.4
97.02839	3.0
115.03899	2.9
121.02872	3.1
123.04411	70.9
135.04387	3.2
139.03877	9.2
157.17995	2.4
161.05904	3.6
177.01825	2.9
203.95413	2.5
217.04890	4.0
243.39357	3.2
245.04384	6.4
246.36293	2.7
247.05983	4.0
257.04343	5.1
265.05191	3.1
269.04309	8.0
270.74942	2.5
272.02802	3.1
273.03787	12.1
283.02179	3.0
283.05927	3.6
285.04031	17.2
286.04822	6.6
287.05405	4.5
293.04352	2.9
295.05942	5.2
297.03973	17.6
301.03482	5.3
307.05994	3.4
309.03925	4.6
309.56335	2.9
310.04575	3.3
311.02081	3.9
311.05435	9.7
313.03381	11.8
313.07184	3.0
315.04919	26.2
319.06015	7.4
321.03882	3.6
323.05457	10.1
325.03333	15.8
325.06848	5.9
326.03891	3.0
335.05426	12.3
336.06204	2.8
337.03326	10.7
337.06958	3.4
339.01172	3.8
339.04938	9.4
343.04266	14.0
347.05328	7.9
349.03387	4.8
351.04794	12.6
353.06607	4.7
355.04413	9.1
361.07062	4.0
363.04919	21.8
364.05597	3.8
365.06424	8.1
367.04230	8.8
367.08432	4.2
369.05881	4.7
373.07318	3.3
375.04825	11.2
377.06427	3.2
379.04391	18.7
381.05826	8.9
387.04858	4.8
389.06616	6.5
391.04373	100.0
392.05002	6.3
393.06015	12.3
397.05539	4.3
403.04315	35.6
405.06097	8.3
409.05502	81.4
413.06683	3.8
416.05112	4.5
417.05951	12.1
421.05392	47.9
429.05917	11.1
431.07312	6.8
433.05078	12.9
435.06839	4.7
439.06601	72.4
443.07492	4.7
445.05319	14.8
447.06946	3.3
451.06528	34.5
457.05478	25.8
459.06888	5.5
463.06522	56.4
469.05814	6.5
475.06470	32.4
487.06430	30.8
493.07657	40.8
499.06314	4.0
505.07648	48.8
517.07904	7.5
523.08661	48.2
525.07861	14.8
535.08569	10.7
541.09717	96.8
543.09241	28.9
543.67474	2.8
553.09485	10.2
559.10583	3.8
561.09912	7.6
573.09924	11.3
591.09052	4.1
597.09961	12.6
627.10779	6.4
639.11115	10.5
657.12305	13.3
675.13287	8.8
693.13922	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	711.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.8
56.36342	1.9
66.42109	1.8
67.05477	2.1
68.99754	2.0
71.20982	4.5
76.30144	1.9
85.02877	5.7
95.01321	3.7
95.04952	3.7
97.02870	6.1
105.03339	2.5
121.02808	2.0
123.04414	79.9
134.39189	2.4
135.04396	3.8
139.03844	12.4
147.04353	3.8
150.03072	2.5
151.03857	2.4
154.01439	2.5
163.03853	3.6
204.53304	2.2
217.04866	2.6
231.02815	2.0
241.04857	2.3
245.04358	10.4
247.05923	5.6
253.04813	2.6
257.04391	5.8
269.04422	6.8
270.32788	2.1
272.03195	5.4
273.03922	19.2
274.04782	2.1
279.06570	2.9
281.04443	5.5
282.05038	2.6
283.02356	3.1
283.05988	4.3
285.03934	20.6
286.04669	4.9
287.05411	5.7
293.04407	3.6
295.02667	2.5
295.05917	9.0
297.03952	16.7
298.04709	2.9
299.05203	4.7
307.05783	5.2
309.04080	9.7
310.04575	6.1
311.02267	2.5
311.05386	11.8
313.03375	14.1
315.04868	40.9
319.05939	5.5
321.03860	5.3
321.07416	2.3
322.04752	3.7
323.05460	7.7
325.03323	15.9
325.06958	7.3
327.04871	10.5
335.05402	13.2
337.03323	10.2
337.07123	5.0
338.04010	2.7
339.04922	16.8
341.06662	4.7
343.04382	11.8
344.04733	2.2
347.05481	11.7
349.03207	4.9
349.07095	3.9
350.04010	4.7
351.04953	14.7
353.06497	4.9
355.04422	18.1
359.05508	2.8
361.07159	4.7
363.04956	20.6
364.05597	4.5
365.06653	11.3
367.04303	8.4
369.05942	5.6
373.06927	4.6
375.04947	11.7
377.06458	3.8
379.04324	17.8
381.05951	12.5
387.04706	4.8
389.06531	6.8
390.03061	2.6
391.04395	94.4
392.04877	9.2
393.06113	12.9
395.07452	2.7
397.05585	8.9
401.06384	5.6
403.04431	39.2
404.05206	3.1
405.06216	3.8
409.05508	81.8
415.04510	3.1
416.05405	2.5
417.06531	11.6
421.05432	53.9
429.06036	14.7
431.07410	6.9
433.05606	14.8
435.07556	2.7
439.06531	100.0
440.06647	4.2
441.05817	3.7
445.05545	11.2
447.07666	2.5
451.06546	51.4
457.05481	23.4
459.06854	5.9
461.08554	3.4
463.00262	3.7
463.06528	63.3
464.06982	2.4
469.05576	8.5
475.06467	26.6
477.07977	2.4
487.06683	22.6
493.07520	38.8
499.06213	3.9
505.00851	2.0
505.07501	46.5
506.07996	2.7
517.07336	8.5
523.08624	47.1
524.08899	2.9
525.08063	13.9
535.08990	13.2
541.09705	88.0
542.09515	2.8
543.09290	22.6
553.09540	10.8
559.10822	10.7
561.10022	7.6
573.10199	12.2
591.10181	7.6
597.10181	10.3
609.10059	4.2
621.10388	3.5
627.11383	4.6
639.11633	9.8
657.11957	10.3
675.12854	6.4
693.13995	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	710.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01833	3.0
55.05499	15.8
57.03419	6.1
57.30853	2.3
59.04957	2.2
61.02921	17.3
65.03925	3.5
67.05490	39.1
69.03423	4.9
69.07049	12.0
70.06564	3.4
70.09766	2.7
70.22206	10.8
71.04973	8.3
73.02892	6.9
76.33734	2.4
79.05485	40.3
81.03404	10.1
81.07042	38.2
83.04968	5.4
83.08607	5.7
85.02883	21.0
85.06522	4.4
91.03947	13.7
91.05013	2.8
91.05465	34.7
93.07029	44.4
95.04938	7.3
95.08595	16.1
97.02859	15.0
97.06522	3.8
97.10162	3.4
105.07008	38.6
107.04924	6.5
107.08558	26.5
109.06505	5.1
109.10158	13.5
117.06967	13.3
119.08558	31.8
121.06428	3.1
121.10110	15.7
123.08002	3.6
127.03882	6.0
129.06979	6.6
131.08543	15.8
133.06465	4.4
133.10104	33.3
135.07950	3.2
135.11641	18.0
137.09570	3.0
143.08542	6.2
145.04842	5.8
145.10089	10.0
147.11656	26.4
149.09628	5.9
149.13260	13.8
157.10138	8.7
159.11653	10.0
161.13257	13.1
163.06000	9.0
163.11073	2.7
163.14810	3.2
171.11655	7.5
173.11809	3.0
173.13177	6.0
175.14787	3.7
185.13237	3.9
193.12222	3.5
199.14844	4.2
207.65262	2.5
229.14369	3.6
231.21019	6.0
241.19423	18.7
259.20529	50.3
267.15768	4.2
269.17441	6.4
285.16867	7.3
289.44540	3.0
350.24091	4.7
351.25253	100.0
352.25494	5.4
363.25287	4.5
365.15369	5.0
463.30188	5.8
477.28424	5.6
495.29309	7.8
576.92834	3.0
613.15344	2.8
711.35028	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	710.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01865	3.4
55.05500	15.1
57.03427	18.6
57.07071	1.3
57.27940	1.3
61.02921	13.5
65.24040	1.3
67.05492	42.1
69.03411	4.3
69.07060	10.1
70.06565	2.6
71.04971	5.8
71.70652	2.4
73.02909	5.2
79.05479	42.9
81.03397	5.4
81.07041	57.6
83.04961	4.2
83.08595	9.0
83.80574	1.5
85.02890	18.5
85.06515	4.0
91.03932	10.0
91.05466	35.3
92.05775	2.4
93.07025	53.0
95.04957	7.0
95.08591	33.3
97.02852	9.3
97.06502	7.4
97.10147	3.1
99.04432	2.2
99.08076	3.5
105.07011	33.3
107.08578	32.1
107.42348	1.5
109.06481	7.2
109.10159	16.0
111.08058	4.6
113.09620	1.4
117.07024	11.9
119.08561	28.5
121.06490	1.7
121.10122	28.6
123.08055	3.9
123.11672	4.1
125.09595	4.9
127.03892	4.2
129.06998	7.3
130.84300	1.3
131.08540	16.7
133.10112	25.5
134.10344	1.2
135.08078	2.4
135.11679	21.6
137.09569	2.1
143.08528	4.2
145.04961	3.8
145.10100	14.3
147.11656	19.3
149.09613	3.1
149.13211	10.2
151.11198	1.9
157.10068	3.4
159.11684	15.7
161.13214	9.2
163.06004	1.7
163.11169	2.6
165.12769	2.7
171.11653	5.8
173.13245	6.1
175.14812	5.6
177.12790	3.0
178.59543	1.5
179.14375	1.6
185.13248	6.2
187.14796	9.0
189.11186	1.5
193.12289	1.5
195.13765	2.0
199.14784	3.0
201.16383	5.1
205.15817	3.9
219.17354	2.8
221.18954	1.8
229.14256	3.8
231.21109	2.1
239.73479	1.3
241.19463	14.3
250.63579	1.6
259.20511	22.4
269.17432	7.5
275.20132	1.5
277.21561	23.6
283.15390	2.0
285.16928	3.0
298.80548	1.4
333.24173	4.3
349.23566	3.1
350.24020	1.9
351.25241	100.0
352.25623	4.7
369.26389	3.7
423.26962	1.9
463.30536	3.5
469.31122	2.0
477.28473	1.7
495.29630	3.5
513.30176	7.3
711.35712	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	710.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05494	13.7
57.03411	5.2
59.84802	2.6
61.02906	11.1
67.05186	3.0
67.05493	33.0
69.03404	4.7
69.07035	9.3
71.04987	2.9
71.71557	4.0
73.02908	3.4
79.05475	36.2
81.03400	5.0
81.07047	30.2
83.04945	3.3
83.08596	5.3
85.02879	17.8
87.31102	2.8
91.03931	14.9
91.05462	29.1
91.38783	2.2
93.06497	3.7
93.07024	40.5
95.04924	9.8
95.08580	21.0
97.02867	7.9
97.10143	4.0
99.08054	3.0
105.07015	33.9
107.08585	23.2
109.10107	10.4
117.06995	7.1
119.08559	27.4
121.10116	21.2
125.09610	2.5
127.03857	3.9
129.06944	7.1
131.08524	11.2
133.10115	24.3
135.08093	2.6
135.11652	16.3
143.08510	8.3
143.15561	2.4
145.04932	6.7
145.10092	9.7
147.11647	21.8
149.13254	13.0
157.10112	6.3
159.11661	15.1
161.13222	16.5
163.05937	7.7
163.11142	3.7
171.11639	6.4
173.13231	6.2
175.11072	3.5
175.14763	5.4
185.13243	6.7
187.14827	2.6
193.12149	3.2
199.14822	5.1
199.83109	2.3
211.13423	4.5
213.16376	3.8
215.26653	2.4
229.14027	3.3
231.17508	2.3
241.19447	17.2
258.33688	2.3
259.20520	47.1
269.17416	4.9
277.21555	10.3
285.16925	3.4
333.24118	11.4
351.25241	100.0
352.25485	5.2
459.27316	6.3
477.27960	7.2
481.93951	2.5
495.29010	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.4
53.03927	0.7
55.01861	1.0
55.05498	3.7
57.03415	0.5
59.63643	0.4
65.03909	0.9
67.05494	16.8
69.03403	2.0
69.07049	2.5
69.62157	3.0
70.06565	1.4
71.04978	3.1
75.52113	0.4
79.05015	0.5
79.05478	7.5
80.68927	0.4
81.03387	1.0
81.07042	19.0
83.04970	0.9
83.08598	2.3
84.08126	0.5
85.02901	2.3
85.06507	1.0
86.09724	0.5
91.05461	4.9
93.06496	0.6
93.07029	7.6
95.04910	0.9
95.08588	16.6
97.02875	0.8
97.06510	1.6
97.10149	0.7
98.21513	0.6
105.07000	3.1
107.04945	0.4
107.08573	5.0
109.06471	0.5
109.10131	7.8
111.08035	0.6
117.06975	1.2
119.08557	2.4
121.02863	0.5
121.06484	0.5
121.10122	3.7
123.08034	0.7
123.11699	2.8
125.93305	0.4
127.03867	1.3
131.08507	2.3
133.10091	3.3
135.11668	2.8
136.07539	1.3
137.05911	0.5
137.09531	0.8
137.13248	0.6
145.04947	0.7
145.10107	1.9
147.11647	1.3
149.09573	0.6
149.13216	1.6
151.11142	1.5
153.01781	0.6
155.04837	0.6
159.11678	1.4
163.11163	0.5
164.07033	1.3
167.06993	0.9
173.13197	1.0
183.04401	1.1
187.03854	0.4
195.13776	1.0
201.05466	1.3
211.03873	7.0
215.03403	0.6
215.17984	2.4
219.02914	1.2
221.05998	0.4
225.05473	0.8
229.04932	5.6
233.18898	2.6
239.03323	1.5
243.02960	0.8
245.04332	0.6
251.19998	6.5
253.04912	1.0
256.03732	0.7
257.04413	49.3
258.04819	0.9
260.03180	2.4
261.03906	7.5
263.01620	0.5
267.02841	3.3
269.04327	0.5
269.21130	3.2
271.03281	0.4
271.05884	2.6
273.03900	30.5
274.04669	2.9
275.05319	0.5
275.20078	0.5
277.05319	0.5
281.04294	1.2
285.03891	100.0
286.04239	2.3
287.02216	0.6
287.05472	2.9
295.05984	0.6
297.03885	3.7
299.05426	9.8
301.03076	0.6
303.04944	78.6
304.05264	1.5
311.05481	1.6
313.07083	1.3
323.05505	1.5
325.03296	0.7
327.04944	13.2
339.04861	4.0
341.06665	0.5
341.21027	0.4
351.04956	2.7
357.06030	3.8
366.00659	0.4
366.97360	0.4
369.05988	8.3
387.07047	7.3
405.08115	10.1
423.09140	2.0
517.21942	0.7
523.23157	0.4
535.23438	2.8
553.24237	6.1
571.25226	3.2
589.26550	0.4
655.27527	1.6
673.28363	3.5
691.29578	3.5
725.83722	0.5
733.54980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01855	2.2
55.05499	4.7
57.03186	0.7
57.03432	6.3
64.44090	0.5
65.03932	0.8
67.05496	14.8
69.03400	1.9
69.07054	3.3
70.06564	0.8
71.04971	1.2
79.05479	10.8
81.03397	2.2
81.06609	0.9
81.07044	11.0
82.07374	0.9
83.04968	0.6
83.08604	4.4
85.02882	2.3
85.06529	6.6
91.03927	0.9
91.05464	11.4
93.07033	15.3
95.04401	1.1
95.04955	14.0
95.08593	8.2
97.02874	1.8
97.06513	2.5
97.10149	2.0
99.04435	0.8
99.08076	1.1
103.09612	0.6
105.07026	6.0
107.04930	1.4
107.08578	8.7
109.02832	1.6
109.06502	11.7
109.10136	2.6
111.08048	1.7
113.05984	17.1
117.06977	2.7
119.08565	5.4
120.08076	0.6
121.02833	0.7
121.06512	1.2
121.10136	11.8
122.10427	0.6
123.08009	1.4
123.11653	0.5
125.09615	1.1
127.03869	2.1
128.06230	0.7
129.06967	1.6
131.04837	0.7
131.08537	4.5
133.10124	5.6
135.08018	10.2
135.11684	4.0
137.09590	4.8
141.06946	0.8
143.08548	1.7
145.04982	0.8
145.10059	2.9
147.07991	0.8
147.11664	3.6
149.09589	2.9
149.13307	0.7
151.03909	0.7
151.11162	2.2
153.09082	1.6
155.04916	1.8
157.10097	1.6
159.11644	1.9
161.09561	1.5
161.13116	0.8
163.11125	1.0
165.12706	0.6
171.11673	2.0
173.05943	0.6
173.13284	0.6
183.04396	0.7
183.11665	0.7
201.05403	1.7
203.17899	1.2
211.03835	5.8
213.16335	2.3
217.15842	2.1
219.02853	1.1
225.05554	1.0
229.04868	4.7
231.17430	1.7
239.03392	1.6
243.02649	0.8
249.18469	19.2
250.18732	1.3
253.04979	0.9
256.03629	0.8
257.04422	46.7
258.04608	2.8
260.03159	1.8
261.03891	8.8
262.07822	0.5
263.02020	0.7
267.02798	4.2
267.19543	4.5
268.16479	0.5
271.06073	3.1
273.03897	28.6
273.18463	5.1
274.04514	4.0
275.19824	0.7
277.04977	0.6
281.04395	1.2
285.03897	100.0
285.20337	0.9
286.04254	6.3
287.02051	0.7
287.05402	1.3
289.03445	0.6
291.19528	15.8
295.05884	0.9
297.03851	3.0
299.02148	0.8
299.05414	8.5
303.04950	72.4
304.05286	5.6
307.19165	0.7
311.05283	1.3
313.07074	1.2
323.05402	2.2
327.04944	14.0
327.74786	0.7
328.05167	0.8
339.04984	4.1
341.06473	0.7
347.22104	2.3
351.04974	2.8
357.05899	2.5
365.23181	35.8
366.23477	2.1
369.06003	8.9
370.06317	0.8
387.07135	6.6
393.22546	1.3
405.08105	7.7
411.23581	3.3
423.09247	1.3
509.27460	0.9
527.28619	0.6
533.21185	0.7
551.22913	2.9
569.23712	10.1
570.24103	1.3
587.24823	1.3
619.73651	0.6
671.26648	1.8
689.27710	3.9
707.28986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.9
55.01850	1.0
55.05499	3.7
57.03394	2.4
58.46717	0.5
61.02895	1.0
61.66370	0.5
65.03886	0.8
67.05495	9.9
69.03381	1.6
69.07053	3.3
69.65509	0.4
70.06554	1.0
71.04955	1.2
71.70148	0.8
72.08128	0.7
79.05481	10.8
81.03368	2.2
81.07046	8.6
81.26238	0.5
83.04940	1.2
83.08598	3.2
84.04485	0.7
84.08117	0.6
85.02850	2.0
85.06506	1.9
86.09653	0.8
91.05471	11.2
93.07030	12.9
95.04958	4.2
95.08585	6.0
97.02871	1.2
97.06476	1.9
97.10106	1.4
99.04380	0.8
99.08054	0.8
103.05379	0.5
103.18946	0.5
105.07008	4.9
107.01305	0.6
107.04912	0.6
107.07912	0.7
107.08572	8.5
109.02834	1.1
109.06495	4.0
109.10167	2.9
111.04417	0.7
111.08002	1.4
113.05987	4.6
117.06975	2.1
119.08571	4.8
120.08011	0.7
121.02753	0.6
121.06443	1.0
121.10133	10.1
123.08002	1.8
123.11650	0.7
125.09561	0.7
127.03864	1.8
129.06915	1.0
130.60312	0.5
131.08553	3.5
133.10095	4.8
134.10324	0.5
135.08020	3.8
135.11667	4.8
136.46223	0.5
137.05870	1.2
137.09589	3.0
139.11093	0.7
143.08487	0.9
145.10056	2.0
147.08073	0.6
147.11632	3.5
149.09583	2.5
151.03842	0.6
151.11136	2.0
153.01801	0.7
153.09062	1.3
155.04871	1.6
157.10071	0.9
159.11688	0.6
161.05826	0.6
163.11145	0.9
167.07086	0.7
171.11665	1.2
182.15411	0.6
183.04341	1.6
187.03888	0.7
193.12047	0.6
197.06082	0.7
200.26781	0.5
201.05443	1.2
203.17841	0.8
211.03888	6.4
213.16357	1.9
217.15875	1.1
219.02820	1.4
225.05396	1.6
229.04919	4.8
231.17349	1.8
239.03339	1.3
239.76642	0.6
243.02765	0.6
245.04355	0.9
249.18478	21.2
253.04852	0.6
255.02756	0.6
256.03561	0.9
257.04410	47.2
258.04752	1.2
260.03217	2.7
261.03906	7.2
263.01785	1.0
267.02911	2.9
267.19501	3.5
271.05890	2.8
273.03885	27.1
273.18497	1.6
274.04514	2.9
281.04489	1.5
285.03894	100.0
285.20398	0.7
286.04224	2.8
287.05426	1.3
289.03345	1.4
291.19479	5.3
295.05899	0.8
297.03934	3.5
299.02054	1.1
299.05386	8.8
303.04953	73.1
304.05414	2.5
311.05423	1.1
313.07141	0.8
323.05344	1.3
327.04977	14.1
331.62405	0.7
339.04977	4.9
347.22241	1.0
351.05112	2.9
357.06009	3.5
365.23169	11.1
369.06079	8.8
387.07077	6.7
393.22485	1.7
399.10724	0.7
405.08115	7.8
411.23636	3.8
423.09006	1.0
429.24683	0.7
474.25714	0.6
527.27722	0.8
533.21460	1.3
551.22473	3.7
552.31018	0.5
569.23669	10.3
578.47412	0.6
587.24591	1.4
671.26807	1.3
689.28125	4.1
707.27594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
69.90105	2.8
79.35899	0.4
81.03374	0.6
82.99847	0.9
85.02856	0.6
94.99828	0.6
95.90240	0.5
97.02851	0.9
98.97592	0.4
99.92493	0.4
101.00864	4.1
105.03327	0.4
113.00850	0.6
115.02392	0.4
118.94345	0.4
119.01902	11.3
120.93282	0.4
122.01344	1.9
127.02401	1.0
128.88463	0.5
131.01880	9.7
131.51917	1.2
132.01865	0.7
137.01877	3.3
137.02930	1.6
137.51872	0.8
138.01715	0.5
142.03456	0.4
142.52733	0.4
143.01883	16.9
143.51979	1.2
144.01840	0.5
145.03442	5.9
146.99567	0.5
147.01352	1.0
149.01869	1.1
149.02959	0.8
149.51965	0.8
152.02406	2.8
152.52513	0.7
155.01869	7.3
157.03445	3.9
158.02422	1.3
158.52509	0.5
161.02942	18.7
162.03008	0.5
163.04495	1.7
164.02420	0.8
167.01810	4.8
169.03439	1.8
171.01485	0.5
171.05029	2.5
173.02945	21.0
173.52985	1.3
174.02975	1.4
175.04494	1.1
179.01865	1.5
179.52872	0.5
182.03426	1.5
184.04523	0.7
185.02937	32.7
186.03078	2.2
187.04524	4.0
191.03947	1.2
194.03400	0.7
197.02924	12.9
197.04695	0.9
198.03082	0.6
199.04492	0.5
203.03981	15.3
203.38362	0.4
203.54082	1.6
204.04068	1.0
208.04578	0.7
209.02916	1.3
212.04440	0.7
215.03979	8.4
216.04025	0.6
220.04759	0.4
221.04985	0.9
224.04501	1.9
224.54623	0.7
227.03987	7.0
233.05014	0.5
239.03972	0.7
243.02206	0.5
245.05042	100.0
246.05234	6.2
254.05576	1.2
257.05032	5.0
263.06122	13.0
264.06400	0.7
275.06076	12.2
276.06226	0.8
284.06641	5.9
284.56696	1.6
286.07730	1.9
287.06021	1.2
293.07120	3.8
305.07120	11.5
306.07584	0.5
317.07098	0.6
335.08203	4.6
347.08362	0.6
365.09268	49.8
365.59250	1.1
366.09381	4.0
374.09991	0.5
383.10593	2.9
406.11829	0.8
425.11374	37.4
426.11603	3.5
437.11462	2.8
455.12595	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	706.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87049	0.6
55.01852	0.6
55.05487	1.0
56.35061	0.6
57.03393	1.0
67.05476	2.8
69.03387	1.2
69.07027	1.6
70.06552	1.7
71.04959	0.8
71.70366	1.1
75.93307	0.6
79.05483	13.8
81.02667	0.7
81.03408	6.1
81.07005	1.8
83.04912	0.8
83.08596	0.8
84.08125	0.7
84.91162	0.7
85.02895	0.7
86.09659	1.0
91.05478	3.9
93.07035	3.9
95.04946	5.3
95.08563	0.9
97.02853	1.5
97.06500	0.7
103.05446	0.8
105.07008	4.6
107.04914	0.7
107.08572	9.9
108.37233	0.6
109.06466	0.7
110.07157	0.7
110.34857	0.6
111.04395	0.8
115.05432	0.7
117.06969	1.6
117.11324	0.7
119.08551	2.8
121.02834	3.3
121.06483	6.3
129.06984	1.3
131.04895	0.9
131.08510	2.5
133.06433	1.3
133.10109	4.1
137.05920	1.9
141.06926	0.9
143.08542	3.8
143.77864	0.7
145.02817	0.9
145.06401	1.5
145.10091	3.1
146.33858	0.7
147.07973	1.2
149.05919	2.9
151.07500	1.1
153.90045	0.8
155.08511	1.4
157.10114	2.4
159.08054	4.4
159.09122	0.7
159.11659	1.8
161.05969	13.2
161.09598	23.3
167.07159	0.8
167.08531	2.9
169.10036	1.4
171.08006	2.2
175.07504	1.3
177.09018	1.1
183.08017	0.6
183.11569	1.1
185.09573	4.8
187.07498	0.8
187.11044	0.7
189.09026	0.8
192.09224	0.7
195.08044	1.6
197.13136	0.8
199.11064	1.1
203.10681	1.4
205.08614	1.4
207.11670	2.5
209.13333	0.8
211.11166	2.4
225.12706	5.1
227.10562	0.8
231.10172	1.5
235.11162	4.4
237.12656	3.3
249.11125	6.8
253.12166	6.6
255.13823	1.0
257.04343	0.8
271.13254	12.0
272.13708	0.8
273.04074	0.7
277.10623	0.7
281.11798	4.9
285.03729	1.3
299.09802	0.6
299.12717	18.9
300.12863	1.4
303.05130	0.8
317.13788	88.6
318.14111	3.8
334.58951	0.8
345.13239	3.4
362.15915	100.0
363.16434	3.4
509.27203	0.7
563.92365	0.7
671.56940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.0
54.48501	1.3
55.01860	7.0
55.05502	32.0
57.03421	9.3
57.07060	3.3
59.04981	1.5
59.68734	1.2
61.02907	4.4
63.68774	1.1
65.03929	5.5
67.05491	93.3
69.03421	29.5
69.07056	21.6
70.89124	3.0
71.04978	44.5
71.08612	1.6
73.02894	2.4
79.05479	69.7
81.03403	57.7
81.07041	100.0
82.07318	1.4
83.04962	17.3
83.08606	17.9
85.02886	13.0
85.06542	7.2
87.04452	1.5
91.05461	67.4
93.07027	66.6
95.04951	21.7
95.08588	41.0
97.02872	19.7
97.06512	10.4
97.10146	10.6
99.04432	7.6
99.08076	4.2
101.02337	1.8
105.04486	1.6
105.07012	46.4
107.04937	5.2
107.08572	36.8
109.02860	13.1
109.06499	8.3
109.10134	18.4
111.04427	10.7
111.08054	7.3
113.06005	2.0
115.05407	1.9
117.07008	17.9
119.08566	28.6
121.06503	4.2
121.10126	22.9
123.08057	5.0
123.11678	12.4
125.05984	1.3
125.09633	5.5
127.03884	12.3
127.07594	1.2
128.06215	1.4
129.05453	3.9
129.06975	9.7
130.07742	1.7
131.08548	27.3
133.06477	2.6
133.10104	32.2
135.08025	3.4
135.11674	16.9
137.05992	1.5
137.09590	3.1
141.06946	2.9
142.07800	1.5
143.08524	10.9
144.09366	1.8
145.06474	2.3
145.10098	15.6
147.08008	2.2
147.11642	20.5
149.09586	3.7
149.13219	13.4
151.11162	9.6
153.12738	3.8
154.07806	1.4
155.08533	4.3
157.06433	1.2
157.10130	10.2
159.08061	3.0
159.11671	19.1
161.09641	1.6
161.13269	8.2
163.11165	3.8
163.14803	2.2
165.12718	2.7
167.08493	2.7
168.09291	2.0
169.10080	6.5
171.06509	1.7
171.11684	7.4
173.04417	11.7
173.09639	2.6
173.13202	8.5
175.11177	5.8
175.14815	3.8
177.12671	6.6
179.08516	1.3
179.14342	1.8
181.10120	4.0
181.12210	3.3
183.11665	4.2
183.13800	5.6
185.09589	1.5
185.13269	7.3
185.49725	1.2
187.11331	3.3
187.13278	8.3
187.14818	3.6
189.11195	2.6
189.12720	2.3
191.10631	4.1
193.12233	11.1
195.11832	3.0
195.13797	6.1
197.13263	4.2
199.11168	1.8
199.14856	2.5
201.12773	1.5
201.14807	3.7
203.14311	1.8
209.13254	2.1
211.13162	9.9
215.14403	1.7
221.13170	1.6
225.12735	2.1
227.12715	6.7
239.17686	1.4
241.19479	4.5
243.20998	1.5
257.17429	3.9
259.20535	9.3
261.22202	3.7
269.17499	3.9
273.22141	1.5
275.20053	5.7
277.21637	1.6
283.15503	3.0
283.20758	1.8
285.16827	2.1
293.20993	4.2
299.23788	2.7
301.21692	2.2
313.21573	2.0
315.23166	2.3
323.23862	1.6
325.21729	1.6
333.24362	7.1
335.25723	5.6
339.17899	7.2
349.23816	1.5
349.27435	3.3
351.23087	2.2
367.22433	3.0
369.23962	2.7
385.23862	2.2
395.20743	2.3
427.23096	3.2
429.21042	3.5
433.31265	2.1
451.31824	3.0
456.55078	1.4
461.28745	2.0
469.32629	2.3
503.37173	1.9
517.38947	4.5
525.35724	10.2
543.36725	41.1
544.37195	2.5
561.39215	1.9
608.26086	1.5
609.28302	1.3
629.39954	1.7
651.38770	3.9
669.40442	2.1
673.42767	5.1
687.40961	6.2
705.45441	38.9
706.45563	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	705.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
52.21987	0.8
53.03939	7.8
53.16652	0.8
55.01862	10.0
55.05503	23.5
57.03432	6.4
57.07053	2.2
61.02914	1.0
65.03919	3.6
67.05493	51.5
69.03420	15.1
69.06686	1.5
69.07055	24.3
69.66430	0.9
70.05604	2.0
70.06023	3.7
71.01340	1.4
71.04991	6.0
71.08593	1.1
79.05480	48.6
81.03404	34.0
81.07042	100.0
82.07383	1.3
83.04517	1.2
83.04967	14.5
83.08614	11.4
85.02879	6.6
85.06518	2.9
91.05465	43.6
93.07029	38.8
94.07356	1.3
95.01278	1.0
95.04395	1.7
95.04954	17.5
95.08588	32.3
97.02871	10.6
97.06512	11.9
97.10153	2.0
99.04453	4.5
99.08069	3.4
103.05405	1.2
105.04459	1.4
105.06332	1.9
105.07018	37.0
106.07331	1.0
107.04939	7.4
107.08576	26.3
109.02877	8.9
109.06505	18.0
109.10138	9.9
111.04421	8.7
111.08058	5.2
113.05959	1.2
113.09683	1.2
115.05454	1.5
117.07004	13.2
119.08558	25.0
121.06449	5.5
121.10131	13.4
123.04411	4.0
123.08047	6.4
123.11683	8.3
125.09595	2.2
127.03898	7.5
128.06186	1.4
129.05453	3.5
129.06937	5.5
130.07751	1.0
131.04929	1.3
131.08546	18.7
131.12604	1.0
133.06473	4.1
133.10112	16.1
135.08044	7.0
135.11667	7.7
137.05939	2.4
137.09586	4.4
141.06995	1.8
142.07706	1.3
143.08531	3.7
145.06439	3.2
145.10092	9.4
147.08011	3.7
147.11664	18.4
149.05879	1.2
149.09570	6.0
149.13231	14.2
151.07491	1.2
151.11119	2.4
155.08539	2.9
157.06375	1.4
157.10072	4.1
159.08020	2.4
159.11667	9.9
161.09598	3.0
161.13194	3.3
163.11156	5.2
163.14793	1.9
165.09105	1.2
165.12759	7.5
167.08614	0.9
169.10112	3.4
171.11685	4.4
173.04497	1.0
173.09575	2.5
173.13206	4.3
175.11162	2.9
175.14769	1.5
177.12721	6.1
179.10634	1.3
179.14307	1.1
181.10129	1.5
183.06569	1.5
183.11661	2.2
185.13185	2.0
187.14777	1.8
191.10597	1.1
191.14241	1.3
193.12234	2.8
195.13803	9.1
197.13171	3.0
201.12695	2.4
205.12192	1.4
211.14680	1.2
213.14694	1.6
219.13533	1.3
223.13216	1.3
229.19467	1.8
239.17912	2.0
247.20573	3.5
257.15359	1.0
257.18915	3.2
261.14819	1.0
267.15939	4.9
269.17422	9.7
273.18640	1.2
275.16788	2.4
275.20004	44.9
275.23041	2.2
276.20416	1.6
283.80377	1.0
291.19489	2.0
293.21054	11.2
321.16846	2.5
331.22607	1.2
339.18015	6.3
341.20636	1.3
349.23648	19.1
365.20535	1.1
367.24631	3.6
371.22141	1.4
373.23550	1.3
380.69470	1.0
395.20471	5.3
401.23123	3.6
413.21872	7.0
419.23962	2.0
437.25241	1.7
469.32474	1.6
475.26773	1.9
492.66812	1.0
493.27939	1.1
525.35223	2.5
543.36768	13.8
544.37238	1.8
561.38013	5.8
627.39044	1.5
651.37140	1.2
657.39655	2.3
662.26227	1.1
669.39514	2.9
687.40741	10.9
688.40869	1.6
705.42004	21.9
706.41339	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	705.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01863	11.7
55.05501	23.4
57.03424	8.2
57.07053	2.8
61.02914	1.8
65.03927	4.5
67.05495	51.9
69.03421	14.3
69.06687	1.5
69.07055	24.6
69.42813	8.1
69.43226	3.5
71.01324	1.2
71.04997	8.0
73.02902	1.3
79.05481	48.1
81.03406	37.8
81.07043	100.0
82.07360	2.0
83.04975	14.3
83.08601	12.6
84.46880	1.2
85.02897	7.6
85.06519	3.4
91.05467	41.4
92.82093	1.1
93.07032	40.8
95.01289	1.5
95.04957	16.7
95.08592	29.2
97.02874	10.3
97.06515	13.6
97.10128	3.7
99.04431	2.2
99.08070	3.8
105.07018	37.8
105.07723	2.4
107.04945	9.5
107.08581	24.1
109.02860	9.6
109.06498	19.4
109.10153	9.1
111.04424	8.3
111.08071	6.9
115.05387	1.9
117.06995	12.7
119.08564	24.6
121.06505	6.3
121.10130	18.2
123.04409	4.7
123.08055	5.8
123.11678	7.8
125.05956	1.4
125.09580	1.9
127.03907	6.3
129.05495	2.6
129.06992	6.8
131.08545	19.7
133.06462	4.1
133.10114	17.7
135.08026	7.3
135.11670	9.5
137.09598	4.0
137.13185	1.3
141.06972	3.4
142.07791	1.4
143.08549	5.8
145.06439	2.9
145.10123	10.0
147.08038	3.6
147.11678	22.4
149.09579	8.1
149.13229	12.7
151.11183	2.5
155.08510	3.2
157.06406	2.2
157.10095	6.0
159.07980	2.9
159.11664	13.1
161.09599	2.9
161.13240	3.8
161.87547	1.0
163.11166	5.0
163.14850	1.4
165.12688	7.1
167.08536	1.4
171.08011	1.1
171.11644	4.0
173.04381	1.6
173.09575	2.9
173.13281	4.2
174.68842	1.2
175.11180	3.6
177.12738	5.8
179.14281	2.7
181.10100	1.9
183.06522	1.8
183.11653	2.2
185.09573	1.2
185.13246	3.4
187.11075	1.2
187.14876	1.6
195.13783	8.0
199.14757	2.0
201.12732	2.1
203.14227	1.9
215.08212	1.1
219.13710	1.8
229.19551	2.4
231.13800	1.4
233.15373	1.4
239.18030	2.1
247.20482	3.6
257.18997	4.5
261.14752	1.6
267.15878	3.4
269.17487	11.0
275.16785	2.7
275.20020	45.4
276.20215	1.5
291.19473	2.1
293.21027	10.6
303.15820	2.4
321.16959	1.7
339.17929	4.7
349.23688	16.8
367.24515	3.4
383.22092	2.6
395.20596	6.9
401.22986	1.4
413.21863	7.1
419.24170	2.4
476.95911	1.3
493.27756	2.0
525.35785	2.8
543.36731	15.1
561.37836	8.8
610.68848	1.4
627.38617	1.5
651.38416	2.7
657.39355	2.4
669.39783	2.6
687.40759	13.0
688.41577	1.4
705.41882	17.9
735.28619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01857	0.7
55.05317	0.4
55.05507	4.0
57.03421	0.8
57.07065	0.5
61.02908	0.5
65.03925	1.3
67.05500	8.5
69.03410	3.5
69.07053	3.2
69.54858	1.5
69.55286	2.8
70.06581	0.5
71.04979	0.7
77.03895	0.8
79.05483	11.5
81.03399	1.7
81.07044	18.9
83.04977	0.8
83.08592	1.0
84.08154	0.5
85.02884	1.5
86.09702	0.6
87.44114	0.4
91.05470	18.1
93.07030	22.7
95.04960	4.9
95.08002	0.8
95.08594	13.2
97.02881	1.0
97.06514	2.9
97.10155	0.7
98.20745	1.1
103.05445	1.8
105.07014	31.6
107.04909	0.9
107.08575	15.3
109.02856	0.6
109.06506	1.7
109.10143	7.5
115.05430	2.1
116.06247	0.7
117.07008	7.0
119.08566	25.4
121.02876	0.8
121.06496	2.7
121.10131	9.9
123.08049	1.7
123.11674	1.0
125.09596	0.7
127.03917	0.8
128.06187	1.5
129.06996	3.7
130.07803	2.3
131.08549	13.4
133.06448	0.8
133.10114	10.3
134.07207	0.5
135.08025	4.7
135.11662	2.1
137.09607	1.1
141.06947	1.1
142.07787	3.0
142.08720	0.4
143.08516	6.4
144.09306	2.6
145.06468	0.5
145.10110	20.5
146.10735	0.4
147.08041	2.3
147.11673	13.2
149.09581	2.0
149.13216	1.3
153.01782	1.2
153.89879	0.5
155.04875	1.4
155.08542	1.4
156.09314	2.0
157.10107	7.4
158.10866	1.1
159.08011	1.2
159.11678	16.4
160.12088	0.5
161.09587	3.2
161.13199	3.7
163.11156	0.9
163.14792	0.6
165.07063	0.5
167.07178	0.5
167.08530	1.0
169.10094	2.2
170.10953	0.6
171.04460	0.6
171.07928	0.7
171.11644	3.7
172.12518	0.7
173.09561	1.2
173.11824	0.8
173.13191	4.8
175.11136	2.6
175.14799	1.1
179.08539	0.5
181.10092	0.8
182.10857	0.9
183.04411	1.7
183.11650	1.4
185.09628	1.0
185.13213	3.8
187.03825	0.6
187.11111	2.2
187.14801	10.7
189.12755	2.7
195.11624	1.3
197.13206	1.8
199.14780	3.3
201.05432	1.4
201.16338	6.2
209.13251	1.6
211.03879	8.0
211.14902	0.7
213.12807	0.8
213.16327	1.7
215.14352	1.0
219.02856	0.6
222.64481	0.5
223.14850	1.0
225.05496	0.8
225.16321	0.9
227.14445	1.0
227.17923	2.8
229.04929	4.3
233.15311	0.7
239.03450	1.5
241.04941	1.0
243.02606	0.6
245.04385	0.9
253.04984	0.9
255.21043	5.1
256.03656	0.8
257.04416	40.8
258.04904	0.9
260.03174	0.7
261.03931	5.9
263.01743	0.9
265.19513	1.6
267.02798	2.2
269.04300	1.0
271.06039	2.4
273.03900	30.4
274.04446	1.1
281.04483	0.7
283.20578	7.4
285.03906	100.0
286.04242	3.4
287.02048	0.8
287.05475	3.2
295.05984	1.4
297.03912	6.0
299.02115	1.0
299.05405	8.6
301.03278	1.0
301.21536	1.1
303.04953	18.4
311.05438	1.4
313.07025	1.8
315.04977	1.9
323.05496	1.4
327.04944	12.7
339.04929	4.4
341.06586	0.6
351.04962	3.3
353.06381	1.1
357.06021	2.0
369.05994	9.8
374.16129	0.5
387.07037	4.0
405.08191	3.5
445.26111	0.8
510.82446	0.5
566.02594	0.6
585.24854	2.3
603.86633	0.5
705.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
57.03395	0.5
65.03896	0.8
69.87534	2.2
70.06551	0.5
81.03370	1.2
85.02894	2.2
86.09668	0.4
97.02863	1.0
102.10749	0.4
107.01319	0.5
109.02814	1.6
121.02850	14.6
121.35204	0.4
122.03132	1.1
124.03899	0.7
139.03891	1.0
153.01749	1.2
155.04872	0.5
171.04413	0.8
183.04424	0.4
201.05280	0.9
204.76628	0.4
211.03867	2.7
215.61206	0.4
219.02780	1.0
221.06020	0.7
223.02074	0.5
225.05487	3.2
227.03282	0.4
229.04889	2.8
231.06544	0.4
239.03304	1.0
239.06993	0.6
243.02975	0.9
245.00777	0.4
245.04382	1.8
249.05345	0.5
253.04887	2.3
256.03745	0.6
257.04419	23.6
258.04733	1.1
260.03162	4.6
261.03891	7.3
263.01862	2.2
265.07220	0.8
267.02866	1.7
267.06735	0.5
269.04303	0.5
271.05969	10.0
273.03897	100.0
274.04510	5.3
277.04874	1.1
279.06573	0.5
281.04321	2.7
283.08157	1.0
284.03186	0.5
285.03906	15.7
285.07254	1.3
287.02051	0.8
287.05460	1.4
288.59692	0.4
295.05948	3.3
297.03918	2.9
298.04559	0.8
299.01862	2.6
299.05429	27.0
300.05646	0.9
301.03372	0.6
303.04959	69.7
304.05164	2.0
305.04581	0.6
310.04626	0.5
311.05414	2.6
313.07004	7.2
315.04886	0.4
321.03925	0.4
323.05542	4.5
325.03006	0.6
327.04953	38.9
328.05240	1.2
339.04950	15.1
339.09061	0.9
340.05075	0.5
341.06522	1.4
351.04941	11.7
357.06009	21.8
358.06390	0.9
369.06006	19.4
370.06198	0.8
387.07059	20.3
388.07391	1.1
405.08127	34.2
406.08475	1.3
420.53534	0.4
423.09250	4.9
430.15482	0.5
497.17212	0.5
555.11841	0.7
585.12195	1.7
677.98499	0.5
687.15576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46166	0.2
55.01877	0.4
58.25026	0.3
61.20916	0.2
65.03931	2.9
68.99767	0.2
69.03428	1.4
71.03241	0.7
72.76760	0.2
85.02904	0.4
97.02905	0.4
103.03936	0.2
111.04440	2.2
121.02850	100.0
121.49749	0.3
122.03177	1.6
127.03913	0.6
139.03886	0.6
145.04968	0.2
155.04874	0.5
183.04440	0.3
201.05450	0.3
211.03842	2.7
225.05391	0.5
229.04880	1.9
230.05307	0.3
239.03410	0.5
245.04456	0.4
253.04901	0.5
256.03616	0.6
257.04416	24.3
258.04868	0.7
260.03149	0.7
261.03906	4.0
262.04251	0.4
263.01917	0.5
265.07117	1.0
267.02710	0.6
271.06149	1.3
273.03894	15.0
274.04489	1.1
283.08099	11.4
285.03903	76.1
286.04269	2.7
287.01871	0.3
295.06061	0.9
297.03940	1.2
298.04678	0.3
299.02103	0.4
299.05359	4.3
301.03461	0.4
303.04953	24.2
304.05258	1.0
310.83777	0.3
311.05322	0.4
313.07047	1.0
315.04926	0.6
323.05371	0.9
325.03290	0.4
327.04956	8.1
328.05209	0.4
339.05008	2.5
341.06668	0.4
351.04947	1.5
352.05286	0.3
356.47726	0.3
357.06049	2.1
369.06018	5.9
370.06351	0.3
379.08258	0.4
387.07034	4.0
405.08099	9.2
423.06931	11.5
424.07983	0.5
447.08542	0.6
465.10181	0.8
507.08856	0.4
525.10364	1.9
543.11273	11.4
544.11237	0.4
567.13428	0.6
583.34412	0.3
585.13019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
61.02912	0.2
65.03925	4.9
68.99776	0.3
69.03423	1.4
70.06583	0.3
70.13010	1.0
71.01345	0.2
72.08149	0.2
79.01847	0.3
81.03398	0.3
84.04508	0.2
85.02897	1.2
87.18704	0.2
89.49191	0.2
91.05419	0.2
95.04957	0.3
97.02882	0.7
103.03943	0.2
103.05414	0.2
108.04047	0.2
109.02849	0.7
111.04422	3.8
111.08134	0.2
121.02845	100.0
122.03177	1.5
124.74908	0.2
127.03911	0.7
139.03885	0.8
155.04874	0.6
178.18031	0.2
183.04385	0.6
186.46431	0.2
194.48357	0.2
201.05428	0.7
211.03877	3.3
215.03392	0.2
219.03000	0.3
225.05495	0.4
229.04921	2.4
230.05301	0.2
239.03325	0.6
241.04915	0.2
243.02849	0.3
245.04482	0.3
253.04866	0.2
256.03644	0.6
257.04404	26.4
258.04819	0.9
260.03101	0.7
261.03882	3.0
263.01727	0.3
265.07080	0.8
267.02789	1.2
269.04474	0.3
271.05960	1.6
272.03192	0.3
273.03888	15.9
274.04590	1.5
281.04388	0.5
283.08093	7.2
284.02997	0.3
285.03885	51.9
286.04230	2.1
287.01984	0.4
287.05435	0.3
293.48523	0.2
295.05997	0.8
297.03879	1.6
298.04611	0.4
299.01886	0.6
299.05414	4.6
300.05753	0.3
301.03455	0.6
303.04938	24.6
304.05319	1.0
311.05493	0.4
313.06967	1.3
315.04996	0.3
322.66202	0.2
323.05444	0.6
325.03201	0.4
327.04916	7.1
328.05032	0.3
339.05008	2.1
341.06491	0.4
345.05890	0.4
351.04929	1.9
357.05917	0.8
369.05984	4.6
379.08374	0.3
387.07053	2.3
405.08072	3.8
423.07083	1.5
435.09235	1.1
447.09180	18.4
448.09433	0.7
465.10229	8.3
465.16946	0.3
466.10867	0.3
489.10236	1.6
501.09860	0.2
513.10541	0.2
519.11261	0.9
525.10181	0.4
531.11072	1.3
543.11346	1.0
549.12299	1.9
567.13275	4.8
573.06494	0.2
585.12793	2.9
627.07202	0.3
631.68805	0.3
698.29919	0.2
705.16278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.3
53.00273	1.8
53.03938	11.7
55.01865	8.6
55.05503	36.7
57.03424	18.9
57.07058	3.7
58.88985	1.7
61.02917	1.7
65.03913	6.6
67.05492	98.4
69.03414	36.5
69.07058	27.4
71.01321	1.9
71.04978	8.4
71.08631	1.9
73.02883	2.1
79.05479	100.0
80.05810	2.1
81.03401	58.7
81.07041	94.5
82.07388	1.9
83.04956	18.6
83.08593	13.6
85.02886	19.4
85.06535	4.2
85.51810	1.7
87.04434	3.1
91.05463	86.5
93.07026	97.4
95.04943	33.8
95.08002	3.2
95.08591	64.9
97.02890	11.8
97.06512	8.3
97.10136	5.3
98.41428	1.6
99.04417	7.4
99.08025	2.2
101.02345	3.1
103.03907	2.1
103.05441	3.9
103.79041	1.8
105.04528	2.4
105.07007	58.0
107.04939	14.2
107.08577	40.8
109.02859	7.8
109.06524	8.8
109.10141	21.4
111.04409	5.1
111.08077	3.2
115.05417	4.4
116.06224	2.0
117.06993	27.3
119.08556	30.1
121.06474	7.3
121.10120	36.6
123.08044	6.2
123.11684	4.4
127.03896	8.0
128.06198	7.6
129.05490	3.7
129.06985	25.5
131.03362	3.0
131.04878	6.2
131.08546	31.6
133.06441	8.6
133.10115	22.0
135.08023	3.4
135.11668	15.4
137.05945	2.3
137.09563	3.1
137.13293	1.8
141.06961	5.9
142.07671	2.2
143.08507	17.6
145.04907	2.0
145.06436	9.2
145.10094	21.2
147.08015	6.0
147.11650	26.1
149.05843	1.8
149.09558	3.4
149.13231	7.3
154.07639	2.5
155.08533	6.5
157.06453	3.4
157.10049	10.2
159.08032	7.1
159.11676	10.4
161.09558	4.8
161.13202	14.3
163.11276	2.1
163.14813	3.9
165.07008	1.8
167.08554	4.3
169.10123	6.1
171.08057	5.0
171.11652	21.5
173.04428	6.3
173.05911	2.4
173.09608	3.5
173.13219	8.3
175.14732	3.6
177.12709	3.4
179.14279	4.2
181.10101	2.7
183.08026	2.4
183.11700	4.2
185.09612	4.2
185.13219	4.8
186.87471	1.9
187.14781	2.5
189.12694	10.2
191.14285	1.7
195.11667	3.9
197.13174	4.3
199.14697	2.5
201.12634	3.3
203.14320	3.2
207.13760	16.6
213.12856	2.2
213.16437	3.6
219.13858	2.4
221.15237	2.6
223.14865	2.4
225.14897	4.5
229.16167	1.8
233.15259	2.5
241.15848	5.6
243.21091	4.7
245.15318	2.4
251.14221	2.4
259.16998	5.7
259.20401	3.2
261.22177	9.5
269.15341	7.7
275.20068	4.0
281.17419	13.7
287.16449	16.7
305.17291	2.9
309.16785	2.6
333.16992	2.2
335.25748	78.5
343.18921	3.4
361.19952	4.8
363.25415	2.1
365.23398	1.9
405.26373	2.5
425.21530	8.1
541.38831	42.3
542.39148	2.9
555.40112	3.9
583.39288	3.0
621.41284	4.0
639.41504	2.5
667.42047	2.5
703.43121	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	703.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
54.00983	1.4
55.01867	14.3
55.05502	35.2
57.03430	11.2
57.07067	1.9
59.04974	1.6
61.02907	1.6
65.03922	4.7
67.05495	73.6
67.40782	1.3
69.03419	25.2
69.07063	27.5
70.06587	2.7
71.04982	9.5
71.08645	1.5
71.71420	3.0
73.02896	2.6
77.03864	1.5
79.05486	59.1
81.03407	56.3
81.07045	100.0
83.04970	17.8
83.08606	19.5
85.02895	15.3
85.06554	4.4
91.03955	2.3
91.05466	51.4
93.07034	51.4
95.04961	24.2
95.08594	33.3
97.02892	18.2
97.06522	15.4
97.10169	15.7
99.04443	6.2
101.61301	1.4
102.09196	1.8
103.05444	2.0
105.03416	2.1
105.07015	38.6
107.04938	15.5
107.08579	32.7
109.02871	17.6
109.06502	18.8
109.10134	15.6
111.04417	10.3
111.08071	7.7
113.05968	1.6
115.05442	3.6
117.07008	22.5
119.04951	2.5
119.08558	36.5
121.06492	11.1
121.10117	13.2
123.04411	1.9
123.08045	11.3
123.11689	6.9
125.05991	1.8
125.09629	12.8
127.03874	13.3
128.06244	2.8
129.05495	2.1
129.06984	15.5
130.07791	2.2
131.04927	4.1
131.08554	24.5
133.06494	9.1
133.10117	20.9
135.08054	8.2
135.11687	11.3
137.06004	1.8
137.09586	3.9
141.06996	5.3
142.07747	3.1
143.08508	10.4
145.06502	6.7
145.10089	15.9
147.08029	11.8
147.11647	13.5
149.02330	5.5
149.09630	6.8
149.13240	8.3
151.07527	1.6
151.11166	3.1
153.09061	2.1
153.12737	2.0
155.08566	6.0
156.09222	1.6
157.06487	3.3
157.10086	11.6
159.08057	5.0
159.11658	13.4
161.05965	2.0
161.09592	14.2
161.13219	2.7
163.11165	11.4
165.09125	4.6
165.12798	4.4
167.08430	2.9
169.10158	6.0
171.08105	3.7
171.11685	6.8
173.04459	3.6
173.05925	2.2
173.09627	6.6
173.11821	1.4
173.13289	4.4
175.11133	8.1
177.09122	1.8
177.12776	5.9
179.10654	2.1
181.10158	4.6
181.12207	2.0
183.08020	2.0
183.11806	3.2
185.09660	4.8
185.13261	3.5
187.11150	3.7
189.11215	10.0
189.12726	3.0
191.10695	2.6
193.04993	2.2
193.12206	4.2
195.11887	2.9
195.13829	7.8
197.09515	1.8
197.13290	2.8
199.11165	3.5
199.14716	2.8
201.12701	3.2
203.10654	2.4
205.12178	3.5
209.09746	1.7
209.13350	3.0
211.11101	2.3
211.13176	2.4
213.12680	3.6
219.13719	2.6
223.13318	4.8
227.12724	9.5
229.12206	2.9
243.17535	1.5
245.19003	3.6
249.14882	2.9
255.17607	2.9
256.26352	2.7
257.19095	2.0
257.26749	3.5
267.15973	4.2
269.17459	9.0
273.18454	27.2
275.20023	14.3
287.20306	1.6
289.18082	3.1
291.19495	63.0
303.15955	1.8
315.19528	3.4
321.16980	2.6
326.85181	1.5
339.18015	8.0
347.22150	7.1
349.23749	2.9
357.20605	1.7
365.23303	6.4
369.20389	2.0
371.21576	1.9
381.20575	2.6
395.20850	6.9
399.21942	3.7
413.21643	3.0
417.22574	3.7
428.55533	1.6
449.30307	2.3
473.25162	2.5
475.26572	2.0
491.26135	1.9
523.34125	4.2
541.27802	3.0
541.35236	27.7
559.36273	12.6
649.37115	3.7
655.37811	3.6
667.38318	6.5
685.39325	11.1
703.40076	70.7
704.40454	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	703.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	2.2
51.89906	1.6
52.71818	1.6
53.03950	14.4
53.65783	1.5
55.01865	12.8
55.05506	49.7
57.03426	12.9
57.07067	4.1
59.04983	3.3
61.02912	1.9
61.38196	1.5
65.03931	7.4
67.05500	77.5
69.03415	34.5
69.07059	43.3
69.83700	6.4
69.84113	4.6
71.04998	11.2
79.05021	2.9
79.05483	62.6
81.03409	88.3
81.07047	87.3
81.07536	3.1
83.04965	22.0
83.08609	20.2
85.02897	15.0
85.06524	4.1
91.05472	60.4
93.07035	58.5
95.01334	2.7
95.04959	23.8
95.08601	32.4
97.02883	25.2
97.06500	9.9
97.10156	22.3
98.97164	1.7
99.04463	5.3
99.08082	2.5
103.05437	2.8
105.07017	41.4
107.04944	14.9
107.08578	37.5
109.02863	22.6
109.06496	12.8
109.10141	17.9
111.04417	12.2
111.08090	9.2
111.08718	1.7
115.05437	4.7
117.06990	21.9
119.04993	2.6
119.08566	30.2
121.06498	10.5
121.10136	22.8
123.04386	3.6
123.08057	9.5
123.11684	6.9
125.05959	2.1
125.09623	20.8
127.03922	16.1
128.06224	5.5
129.05493	2.7
129.06960	14.5
130.07791	2.2
131.04939	3.1
131.08549	27.2
133.06487	8.4
133.10117	19.4
133.31604	1.5
135.07153	1.8
135.08020	9.4
135.11673	10.0
137.05962	1.9
137.09608	5.0
141.06970	4.8
142.07758	3.4
143.08545	10.3
145.06483	6.3
145.10129	20.0
147.08089	8.7
147.11667	17.2
149.09625	6.2
149.13226	15.0
151.04016	2.1
151.11191	3.3
153.09093	3.1
155.08563	5.9
157.06473	2.7
157.10098	12.8
159.08052	5.0
159.11661	13.9
161.09644	6.3
161.13260	3.7
163.11179	5.6
165.07115	3.2
165.09128	2.1
165.12744	3.4
167.08598	3.1
168.09288	2.4
169.10168	5.1
171.08031	2.5
171.11725	7.1
173.04459	7.2
173.09601	4.5
173.13271	4.3
175.11206	6.7
177.12778	6.7
181.09987	3.8
183.07994	2.0
183.11748	5.6
185.09683	3.7
185.13252	4.1
187.11208	2.8
189.11197	10.0
191.10539	1.7
193.10425	2.2
193.12212	7.4
195.11778	2.8
195.13837	8.5
197.13324	3.8
199.11263	2.6
199.14845	2.8
201.12694	2.8
205.12288	3.7
207.11765	1.8
209.13380	2.1
211.11520	2.0
211.13307	6.7
213.12941	1.8
213.14827	2.0
219.13664	2.3
223.13231	15.6
227.12794	5.0
229.19484	1.7
243.13882	2.3
245.19064	2.5
249.14647	2.4
257.19049	2.2
263.20221	2.0
267.16043	4.2
269.17502	5.3
273.15515	3.6
273.18387	21.9
275.16647	3.1
275.20084	9.5
291.19504	97.6
303.15936	4.0
315.19693	1.9
321.17001	5.1
331.22690	1.9
337.21768	1.9
339.17923	8.1
347.22110	5.0
355.17859	2.2
365.23172	8.6
395.20502	7.1
401.23154	2.5
417.22473	2.1
435.23471	2.6
449.30203	1.9
467.31839	2.2
491.26218	2.6
527.37085	3.5
528.38031	2.0
541.35229	12.5
559.36487	10.7
579.85986	1.8
611.35730	3.3
629.36774	2.9
667.38550	3.9
671.32623	1.9
685.39313	8.9
703.40338	100.0
704.39380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
55.01862	12.3
55.05504	38.8
57.03427	9.5
57.07080	2.5
59.04997	2.3
61.02923	1.4
65.03929	4.3
67.05496	65.9
69.03417	28.2
69.07061	33.5
70.22800	1.4
71.01354	1.9
71.04986	9.8
71.26947	3.2
73.02938	1.7
79.05484	57.9
80.41140	1.5
81.03408	66.7
81.07047	77.2
82.07394	1.2
83.04971	15.8
83.08608	18.6
85.02895	11.9
85.06524	3.9
86.77965	1.2
87.04436	1.6
91.05469	51.1
93.07034	52.9
95.04961	19.2
95.08590	31.2
95.79144	1.3
97.02884	21.4
97.06529	10.4
97.10150	15.4
97.36468	1.1
99.04426	7.0
99.08086	4.7
103.05482	2.3
105.07021	35.1
107.04935	15.6
107.08580	35.1
109.02879	19.4
109.06492	8.5
109.10135	16.7
111.04441	11.3
111.08099	7.8
115.05413	3.2
117.07006	22.8
119.04907	2.0
119.08569	26.9
121.02908	1.5
121.06487	9.0
121.10142	14.7
123.04438	2.9
123.08032	7.7
123.11705	4.8
125.09615	17.7
127.03922	13.2
127.05574	1.1
128.06221	3.3
129.05484	1.4
129.07002	11.9
130.07724	2.3
131.04958	3.1
131.08551	23.3
131.09460	2.0
133.06448	8.0
133.10106	22.9
134.07266	1.7
135.08040	11.2
135.11688	7.3
137.06000	2.3
137.09624	5.5
141.06990	3.7
142.07739	2.7
143.08549	11.8
145.06483	5.3
145.10100	15.3
147.08022	9.0
147.11649	12.2
149.06075	1.6
149.09595	6.3
149.13232	11.8
151.11180	3.9
153.09076	4.1
155.08588	4.7
156.09341	2.2
157.06474	1.7
157.10110	10.0
159.08102	4.8
159.11661	12.1
161.09666	6.6
161.13289	3.0
163.11168	5.2
163.14799	1.6
165.12733	2.3
167.08502	1.8
168.09363	1.6
169.10129	4.2
171.07997	3.0
171.10301	2.0
171.11676	5.7
173.04526	5.7
173.09608	2.9
173.11781	1.6
173.13144	3.1
175.11191	5.1
177.09102	2.6
177.12750	7.3
179.10707	1.3
181.10083	2.8
183.08092	1.5
183.11659	3.3
185.09628	2.6
185.13322	4.6
187.11241	3.0
189.09341	1.6
189.11212	10.9
189.12726	2.3
191.14546	1.5
193.12245	2.7
195.11887	2.0
195.13837	6.7
197.09567	1.6
197.13222	4.4
199.11176	2.1
199.14857	1.8
201.12762	2.8
207.11784	1.8
211.11243	1.7
211.13150	2.5
211.14984	1.7
213.12732	2.3
213.14761	1.8
217.12323	1.4
223.13164	12.1
227.12717	7.3
233.15361	1.9
245.19035	2.3
247.13391	1.6
249.14966	3.9
253.14284	2.7
255.17532	2.2
267.15906	2.9
269.17545	5.6
273.18436	21.3
275.16656	1.9
275.20157	4.4
285.14774	1.7
289.17911	1.9
291.19495	100.0
292.19855	3.9
303.16003	4.0
321.16980	3.1
339.18015	8.4
347.22122	5.6
365.23239	7.3
367.17508	3.1
377.19492	2.0
395.20605	9.4
413.21490	1.5
435.23947	1.8
481.97961	1.7
541.34967	12.7
559.36157	10.8
612.11847	1.5
667.38214	2.2
685.38934	7.5
695.20032	1.5
703.40363	85.0
704.40588	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	702.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
50.09301	0.3
53.03936	1.0
55.01859	2.2
57.03421	0.4
58.41793	0.3
61.02911	0.6
65.03932	2.4
67.05499	0.5
69.03421	0.5
70.06573	0.6
71.69970	0.5
73.19993	0.3
75.04473	3.2
78.04701	2.0
78.83785	0.3
79.05496	1.5
81.03397	0.3
81.07065	0.4
84.08127	0.5
85.02893	2.9
89.03906	0.8
89.06014	1.0
89.65022	0.3
91.05462	10.5
92.63152	0.3
93.03387	11.1
93.06470	0.3
93.07027	5.4
95.04958	3.9
97.02885	0.6
97.06507	2.2
100.02197	0.4
103.05447	5.2
105.03403	0.4
105.04523	0.4
105.07017	1.3
106.04156	22.7
107.04975	2.4
109.06513	0.7
111.04425	0.5
115.05439	0.3
117.03358	0.9
118.04157	0.3
119.04949	0.6
121.02870	1.0
121.06487	26.8
122.02734	0.4
122.06758	0.3
123.04435	0.9
123.08096	0.7
124.05182	0.7
125.05967	7.2
131.04919	1.9
133.05524	0.3
133.06476	1.9
134.03621	3.7
135.04405	1.4
135.08057	0.4
136.05202	0.3
137.05956	3.4
138.06743	1.0
139.07535	1.9
145.02815	1.3
146.49646	0.3
147.04387	0.6
148.05191	1.8
149.05957	44.7
150.06322	1.1
151.02068	0.6
151.03908	0.5
151.07562	2.0
152.08226	0.4
153.05441	1.6
153.07831	0.6
153.09079	11.6
161.05968	2.7
162.01350	1.2
162.03094	0.5
163.02098	0.8
163.03862	0.8
163.07544	2.2
165.05479	0.7
166.06200	1.5
167.07011	3.7
177.05443	21.5
178.05733	0.4
179.01566	0.9
179.06940	0.5
180.07782	0.4
181.08563	20.4
182.08983	0.4
183.21236	0.3
190.00752	0.7
191.06989	2.8
192.07901	0.3
193.08557	2.5
195.06573	0.5
207.08871	0.9
208.01842	1.2
209.08057	100.0
210.08385	2.5
219.09999	0.3
223.04199	18.2
224.04704	0.4
273.03918	0.6
274.04398	0.5
278.53790	0.3
297.13217	0.3
300.05533	0.4
300.08984	0.5
303.04974	0.4
304.05334	0.4
312.08972	4.1
312.52020	0.3
330.09943	1.2
340.05099	0.4
352.05963	0.3
383.14838	0.4
387.14221	0.8
401.15659	0.4
437.21820	0.3
441.04761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.3
55.01856	9.5
55.05500	41.2
57.03421	17.1
57.07054	4.4
61.02910	15.6
65.03917	6.8
67.05142	3.9
67.05495	65.5
69.03419	40.1
69.07056	29.5
70.79179	5.5
71.01323	4.0
71.04977	11.9
73.02900	12.4
73.41428	2.4
76.26757	2.6
78.35616	2.1
79.05482	66.1
81.03403	64.8
81.07041	63.0
83.04595	2.0
83.04974	22.3
83.08614	14.4
85.02890	24.4
85.06528	3.4
86.63715	2.8
91.03915	7.7
91.04930	3.4
91.05468	66.9
91.06036	3.3
93.07029	72.3
95.04955	20.0
95.08596	51.4
97.02873	33.1
97.06505	6.3
97.10130	7.2
99.04424	10.0
103.05531	2.4
105.07020	51.8
106.09188	2.3
107.04932	11.0
107.08575	32.7
109.02872	13.4
109.06490	8.7
109.10147	21.2
111.04427	3.0
111.08087	3.2
115.05432	5.3
117.06995	33.9
119.08560	45.1
121.06470	7.9
121.10128	16.7
123.08039	7.2
123.11678	4.1
125.09601	5.0
127.03925	14.8
128.06187	10.6
129.05431	7.3
129.06973	30.4
131.08553	41.0
133.06468	4.2
133.10121	25.8
135.11673	13.7
137.09581	7.2
141.06964	16.2
142.07721	9.0
143.08540	29.8
145.04918	2.6
145.06462	7.8
145.10104	29.2
147.08057	3.1
147.11642	18.9
149.13196	4.3
153.06903	4.4
154.07733	5.6
155.08545	21.4
156.09312	3.0
157.10101	29.0
159.08081	4.5
159.11641	22.6
161.09610	4.9
161.13219	8.1
163.11166	4.0
165.06990	4.3
166.07748	3.5
167.08566	12.7
168.09286	3.8
169.10077	31.3
171.07983	3.8
171.11659	32.6
173.04437	27.2
173.09663	2.8
173.13208	11.2
175.11110	2.6
177.12688	3.1
179.08554	6.2
181.10095	21.0
182.10803	3.3
183.08022	3.0
183.11671	22.9
185.09642	3.3
185.13220	13.2
187.11174	3.6
187.14841	3.9
189.12704	5.9
193.10141	6.0
195.11690	19.1
197.13216	15.1
199.06006	3.5
199.14827	6.6
205.10068	4.2
207.11678	8.4
207.13777	7.7
209.13272	17.5
211.14828	11.5
213.16402	3.9
217.10069	3.8
219.11705	4.7
221.13194	9.3
223.14818	9.1
225.12744	4.9
225.16353	4.4
233.13197	4.8
235.14815	4.6
237.16170	3.5
239.17836	2.9
241.19408	3.2
247.14819	3.1
249.16353	4.4
257.18918	5.5
259.20602	3.8
271.16864	2.7
277.19559	3.0
279.15781	5.0
281.17407	15.5
321.21906	3.4
333.24194	3.3
335.23694	4.8
349.21518	3.9
351.02545	2.7
429.31369	3.3
447.32587	18.8
465.33554	9.3
483.34674	3.8
521.36145	8.0
529.38690	3.0
537.35205	4.7
539.37280	100.0
540.37292	8.1
541.38531	3.9
557.37927	7.1
593.39014	5.0
647.38873	7.0
648.40448	3.1
665.40179	6.2
683.40887	8.4
701.42505	70.3
702.42786	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	701.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.3
53.03939	16.3
55.01852	9.9
55.05502	44.4
57.03425	18.5
57.07062	2.7
59.04978	2.9
61.02919	16.4
65.03936	5.2
67.05492	89.4
69.03419	44.0
69.07055	30.9
71.01337	3.4
71.04977	15.2
71.70448	4.6
73.02911	10.7
79.05021	4.7
79.05477	88.4
80.24246	2.0
81.03403	69.1
81.03881	3.9
81.07040	82.9
82.07413	2.6
82.63391	2.1
83.04972	25.4
83.08601	14.8
85.02890	20.9
85.06538	6.9
91.03943	5.0
91.05460	90.0
93.07025	68.0
95.01289	3.0
95.04951	22.5
95.08591	57.3
97.02878	36.4
97.06498	10.4
97.10152	11.5
99.04440	10.3
99.08061	2.1
101.02378	5.9
103.03953	2.3
103.05441	4.4
105.04478	3.0
105.07008	58.6
107.04937	16.5
107.08564	38.6
109.02852	12.7
109.06508	11.5
109.10132	20.2
111.04418	7.2
111.08045	4.8
115.05442	6.7
117.06989	35.1
119.08555	44.7
121.06495	5.9
121.10123	19.9
123.08066	8.6
123.11693	4.6
125.05910	2.6
125.09620	4.9
127.03899	16.1
128.06245	10.1
128.65987	2.6
129.05460	6.6
129.06975	36.7
131.04904	2.3
131.08533	48.1
133.06488	7.1
133.10101	29.4
133.11017	2.7
135.08043	7.9
135.11661	12.8
137.09610	6.3
141.06947	18.0
142.07799	5.0
143.08536	38.1
145.06474	11.8
145.10089	36.1
147.08041	8.5
147.11670	28.7
149.09605	5.0
149.13254	7.9
151.11224	3.8
153.06967	3.3
154.07771	4.2
155.08499	30.3
156.09326	4.1
157.06494	3.1
157.10068	23.3
159.08043	6.3
159.11652	23.8
161.09538	5.4
161.13223	11.8
163.11168	4.1
163.14812	2.7
165.07010	7.1
166.07774	4.7
167.08546	17.4
168.09378	3.6
169.10097	33.2
171.07954	4.5
171.11667	28.6
173.02962	3.7
173.04422	28.8
173.09634	4.8
173.13264	10.2
175.07506	2.3
175.11237	3.0
175.14809	4.2
177.12752	5.1
178.07758	3.4
179.08565	6.8
180.09344	2.6
180.51428	2.0
181.10077	20.8
182.10953	6.0
183.08029	2.4
183.11641	23.3
183.12831	1.9
185.09575	5.3
185.13202	15.8
187.06133	2.4
187.11234	5.6
187.14900	7.1
189.12733	5.5
193.10146	8.6
195.11674	20.0
197.09584	2.8
197.13216	14.2
198.14061	2.3
199.06035	4.1
199.11270	4.5
199.14799	10.5
201.12894	3.1
205.10042	4.9
207.11694	9.0
207.13791	10.6
208.12471	2.6
209.09538	3.2
209.13205	16.9
211.11133	2.4
211.14812	9.3
213.12715	3.6
219.11758	4.7
221.13261	7.6
223.14828	8.7
225.12871	3.8
225.16377	3.0
229.14328	4.1
231.11655	3.0
233.13226	5.2
235.14949	4.8
237.12527	4.1
237.16435	5.2
241.14096	2.6
247.14844	3.5
249.16393	3.5
251.14406	2.6
251.18034	3.7
253.15796	3.4
257.18997	3.7
259.20679	9.1
271.17300	2.8
275.20395	2.9
279.16046	8.0
281.17325	14.8
283.20526	3.4
295.20547	4.2
299.20166	2.4
309.22009	3.1
313.21655	2.8
321.22241	4.8
323.23682	3.3
325.21582	3.4
333.24307	9.5
339.23285	3.5
351.23404	2.3
353.08377	2.2
353.24792	3.2
365.24747	3.4
367.22601	5.6
405.27945	2.6
419.27734	3.0
429.31583	4.9
435.32556	2.6
437.34085	3.1
445.91708	2.2
447.32532	15.7
465.33755	10.1
470.92020	2.9
483.34665	6.0
503.35147	3.2
521.36505	8.2
522.36829	2.6
527.35919	3.5
529.38580	2.8
537.35461	3.9
539.37335	100.0
540.37885	7.2
541.38837	3.9
551.37799	3.3
557.38007	12.6
563.37366	4.3
581.38501	7.9
589.48657	2.6
591.36407	2.4
593.38208	3.7
623.40472	4.1
629.38348	3.0
637.41736	2.6
647.39484	10.9
665.40039	6.8
683.41083	13.1
701.42383	93.0
702.43237	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	699.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01867	6.8
55.05503	19.2
57.03429	2.7
57.07063	13.2
67.05498	20.8
69.07055	19.6
71.08620	13.4
71.71411	1.8
79.05486	15.7
81.03400	2.3
81.07043	21.6
83.04970	3.1
83.08606	12.3
85.10169	4.0
91.05463	12.7
93.07037	12.0
95.04955	4.1
95.08585	14.3
97.06518	5.6
97.10152	6.5
99.08074	4.9
105.07026	12.1
107.04942	4.6
107.08573	13.1
109.06505	1.9
109.10152	8.2
111.08083	1.7
111.11710	1.2
112.99994	8.2
117.06998	2.8
119.08569	8.5
121.10138	5.6
123.08130	1.0
123.11716	2.6
125.09585	1.5
129.06970	2.3
131.08563	4.2
133.10120	6.8
135.11670	4.1
137.09637	1.3
143.08598	1.3
145.10081	5.5
147.11668	6.5
149.09615	3.9
149.13280	1.8
151.11171	4.1
157.10121	2.2
159.11690	3.0
161.13264	2.4
163.11121	3.6
165.12729	1.4
169.02562	5.1
171.11667	1.4
175.14836	1.6
177.12708	2.7
179.14273	2.5
185.13141	1.2
189.12787	1.5
237.22115	4.2
257.18927	1.8
259.20523	1.3
275.20053	19.7
277.21558	10.9
293.20987	3.5
311.25739	2.6
313.27240	2.4
331.22952	1.4
349.23624	1.9
422.94778	1.0
587.46600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01868	2.5
55.05500	17.9
56.96536	1.2
57.03429	6.8
57.07063	11.1
61.02914	28.7
65.03944	1.8
67.05492	79.1
69.03413	4.8
69.07055	24.9
69.89234	8.8
71.04977	1.6
71.08617	4.3
73.02901	10.5
73.78610	1.4
76.62224	1.2
79.05472	21.9
80.05799	1.1
81.03383	3.7
81.07041	90.5
82.07370	1.6
83.04980	2.4
83.08155	2.0
83.08610	20.6
85.02887	34.3
85.06544	2.9
85.10185	2.4
91.03934	26.9
91.04483	1.9
91.05457	17.5
93.07028	27.6
95.04948	3.8
95.08588	75.7
96.08935	1.5
97.02881	15.4
97.06516	7.3
97.10146	11.2
99.04443	1.7
99.08075	5.7
103.04042	1.3
105.07013	12.5
107.08575	20.4
109.06483	1.5
109.09402	2.5
109.10134	39.7
111.08052	5.8
111.11724	3.3
113.09622	1.6
115.03914	1.4
119.08553	12.5
120.08894	1.2
121.06476	1.4
121.10112	22.3
123.08092	1.8
123.11694	20.3
125.09596	3.2
125.13259	1.7
127.03905	10.9
127.11196	1.7
133.10089	18.2
135.11653	12.2
137.09608	2.1
137.13216	8.0
139.11192	2.7
141.12666	3.1
145.04912	13.1
145.10048	1.5
147.11642	13.6
149.13240	11.0
151.11098	1.6
151.14813	7.2
155.14270	2.2
159.11685	1.9
161.13237	16.9
163.05995	23.4
163.14796	10.2
165.16411	7.3
167.14258	1.5
175.14786	10.0
177.16350	1.6
179.17908	9.6
189.16368	5.8
196.92271	1.6
203.17964	2.5
217.19531	2.8
245.22604	72.3
246.22951	1.9
247.24307	1.6
252.67120	1.4
263.23654	100.0
264.24149	1.7
265.25369	2.1
275.20016	2.4
276.20410	1.8
281.24533	1.8
331.15692	1.3
337.27307	49.0
349.16812	6.3
355.28452	8.7
367.24753	1.3
430.21982	1.4
439.24246	3.1
458.60156	1.4
499.32129	1.4
707.62091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.7
69.03403	0.3
69.07020	0.6
69.37300	1.9
69.37730	0.8
69.64626	0.2
70.06580	2.3
84.08163	0.2
86.65854	0.2
94.06538	0.4
95.04929	0.4
98.06036	1.1
108.04462	3.4
108.08096	0.4
110.05961	0.2
110.29346	0.2
111.04448	0.2
120.04446	0.3
120.08047	0.3
121.02814	0.2
121.06426	0.2
122.05965	0.9
123.04379	0.3
126.05447	0.5
136.07552	1.4
137.05930	0.5
138.05444	0.8
140.07031	1.4
146.06052	1.2
147.06757	0.3
148.07541	0.9
150.05469	0.6
164.07008	0.5
166.04942	0.6
167.07082	0.4
168.06526	3.8
174.05453	1.0
181.08875	0.3
181.37442	0.2
190.67422	0.2
193.07510	0.3
194.09592	0.2
196.11241	0.6
198.09222	0.3
199.08582	1.5
204.06523	0.7
206.08080	1.9
209.08295	0.4
210.07706	0.5
211.08635	6.3
211.12236	1.1
211.14375	0.7
212.09279	1.7
213.10211	2.4
214.10951	0.6
221.10654	1.3
222.09093	1.8
222.11018	0.3
223.08527	1.0
223.12212	0.6
224.07425	0.3
224.10945	2.2
225.10175	5.9
226.07332	0.7
226.10930	0.8
227.08112	1.9
227.11644	0.5
227.59467	0.2
228.08879	0.2
229.09793	0.3
229.11731	1.2
230.12128	0.5
237.10228	0.3
239.08119	0.7
239.11742	8.5
240.08865	1.0
240.12439	0.6
241.09698	2.8
241.13248	1.3
242.10414	1.1
249.10124	1.2
250.08575	1.3
251.08032	1.5
251.11754	0.5
252.09039	1.9
253.09679	6.0
254.10374	0.9
255.11229	1.1
256.11972	0.7
257.04358	0.5
257.12814	0.9
266.10477	0.3
267.08096	0.4
267.11246	12.9
268.09323	0.5
268.11996	0.8
269.09137	0.4
269.12802	1.9
273.03763	0.3
273.12436	0.4
277.09766	0.4
278.08026	0.4
280.08472	0.3
281.09137	0.7
283.10785	0.5
284.11505	0.8
285.03979	1.1
285.12173	1.6
287.13892	0.4
295.10736	6.7
296.08765	0.4
297.12341	1.3
298.10559	0.5
301.11716	0.3
303.04831	0.6
305.14856	1.5
313.11768	42.1
314.12216	1.4
315.13324	0.8
323.10190	2.5
327.13516	0.6
341.11270	17.6
342.12079	2.3
343.12820	0.3
355.12900	2.2
359.12326	6.0
373.13876	100.0
374.14200	2.9
375.15387	0.5
387.06976	0.2
395.31650	0.2
418.18869	0.3
627.24115	0.9
633.81958	0.2
645.25647	1.2
659.26801	1.5
663.26166	0.8
677.27740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
57.07056	1.1
67.05483	3.1
69.07065	1.2
70.89098	2.0
70.89445	2.3
79.05501	1.1
81.07048	2.1
85.91927	0.9
91.05478	1.7
93.06996	1.1
95.08592	1.3
98.60423	1.1
98.98445	1.5
119.08590	1.2
120.89442	1.1
133.10199	1.1
143.08575	1.1
145.10123	1.4
163.32123	1.0
379.19110	1.3
391.19412	1.3
393.20480	1.3
405.16837	3.0
405.27179	0.9
406.17596	1.2
407.22415	4.2
419.18686	3.9
420.19418	2.9
421.20450	4.2
433.20221	4.0
434.20950	3.9
435.21960	6.7
445.20197	1.8
447.21729	2.3
449.19501	5.4
459.21689	3.0
460.22775	1.7
463.21252	2.2
464.22021	1.3
476.22900	1.0
479.20874	1.1
521.25378	11.4
533.29034	1.7
546.29651	2.9
547.29999	3.0
559.30951	1.7
581.27466	4.0
591.29028	1.4
595.46814	3.6
606.28644	1.4
633.34149	12.5
693.36194	100.0
694.36859	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	694.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01854	2.4
55.05499	14.7
57.03424	7.5
57.07057	3.0
61.02617	1.6
61.02916	28.8
62.40985	0.9
65.03930	2.1
67.05493	72.7
68.05832	1.1
69.03428	5.0
69.06732	1.2
69.07058	12.8
70.96505	2.5
70.96856	1.4
71.04966	3.5
71.08608	1.4
73.02906	9.6
75.04449	2.1
79.05479	41.8
79.26235	1.0
81.03393	3.0
81.07043	85.1
82.07362	1.2
83.04951	1.4
83.08608	9.0
85.02385	1.8
85.02889	33.6
85.06508	4.1
87.58321	0.9
91.03939	31.8
91.04906	2.1
91.05457	24.8
93.07033	55.3
95.04961	4.9
95.08591	65.8
97.02875	14.7
97.06497	5.2
97.10159	5.2
99.04395	2.2
99.08055	3.4
105.06342	1.2
105.07015	19.3
107.04959	1.9
107.08575	39.0
109.02893	2.4
109.06496	4.4
109.10137	36.3
111.08078	2.7
111.11703	1.1
113.09634	1.8
115.03864	1.7
117.06981	8.9
119.07741	1.3
119.08566	18.7
121.06445	1.3
121.10130	34.1
123.11681	19.5
125.09587	3.8
127.03890	11.4
129.06920	1.6
131.08551	19.7
133.10097	15.1
135.08080	1.5
135.11668	26.1
137.09570	3.4
137.13177	7.7
139.11163	1.9
143.08531	1.5
145.04947	14.8
145.10098	17.8
147.11670	16.3
149.09543	1.1
149.13222	23.9
151.11143	3.2
151.14801	2.8
153.12738	1.5
157.10132	1.5
159.11668	11.9
161.13225	13.3
163.05995	19.8
163.11142	3.1
163.14807	13.5
165.12717	5.9
171.11679	1.4
173.13206	14.8
175.14809	3.9
177.12747	1.7
177.16348	5.7
179.14363	2.3
187.14793	9.5
191.14200	1.7
201.16360	3.1
205.15868	2.7
219.17395	1.5
227.12785	2.0
233.22572	2.3
243.21053	33.6
261.22101	100.0
262.22452	2.0
263.23624	2.0
273.01022	1.0
275.19998	7.7
279.23053	4.1
293.20914	1.7
317.24646	1.9
335.25732	35.3
349.23615	4.9
353.26807	49.0
354.27249	1.2
367.24860	4.0
417.92938	1.1
497.30707	5.0
641.43915	2.2
659.44965	2.3
705.28748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01866	0.4
55.05503	7.8
57.03411	0.8
57.07051	1.0
65.03927	0.3
67.05141	0.4
67.05492	8.8
69.03424	1.7
69.07056	9.8
69.96013	1.1
70.06561	0.3
70.07401	0.3
71.04960	1.0
71.08606	0.3
79.05034	0.2
79.05479	4.2
81.03391	0.8
81.07043	10.5
83.04929	0.6
83.08608	4.7
84.08096	0.5
85.02886	1.8
85.06514	0.9
88.01305	0.2
91.05459	3.6
92.95491	0.3
93.06496	0.4
93.07027	4.9
95.04935	0.6
95.08005	0.4
95.08594	8.9
97.02841	1.0
97.06494	1.1
97.09591	0.3
97.10152	4.6
97.95739	0.2
99.04443	0.3
99.08091	0.3
105.07000	2.6
107.01299	0.5
107.08575	3.1
108.87683	0.2
109.02826	0.7
109.06461	0.4
109.10130	4.2
111.08036	0.8
111.11711	1.5
115.07588	0.3
117.07007	0.4
119.08566	2.0
121.02831	0.3
121.10133	3.4
123.08043	0.4
123.11671	1.4
125.09572	0.5
125.13210	0.7
127.03893	2.2
133.10106	1.7
135.11691	2.9
136.53514	0.3
137.09566	0.5
137.13200	0.5
139.11118	0.8
145.04922	0.5
147.11656	1.5
149.13206	0.5
151.14798	0.3
153.01776	0.4
153.12706	0.7
155.04936	1.3
157.12296	0.3
158.56599	0.2
161.06018	0.3
161.13214	1.1
165.12743	0.5
165.75220	0.2
171.13844	0.3
173.06007	0.3
175.14783	0.6
179.14401	0.5
183.04318	1.6
187.03897	0.5
193.19534	0.4
197.05914	0.3
197.15253	0.4
201.05392	1.6
211.03859	7.4
215.03247	0.3
217.19527	3.1
219.02834	1.2
221.05969	0.4
225.05409	1.1
229.04927	5.6
235.20520	4.5
239.03352	1.4
241.04979	0.5
243.02850	0.8
245.04564	0.6
246.05157	0.3
253.04964	0.8
253.21577	3.9
256.03568	1.2
257.04407	52.5
258.04764	1.9
260.03171	2.9
261.03891	7.5
263.01822	0.4
267.02823	3.4
269.04340	0.5
271.02805	0.3
271.05911	3.3
271.22650	0.3
273.03888	26.6
274.04620	3.2
275.05215	0.7
277.04974	0.3
281.04453	1.1
284.03036	0.3
285.03888	100.0
286.04242	2.6
287.01834	0.7
287.05466	1.9
289.03296	0.6
295.06018	1.2
297.03912	2.2
298.04611	0.6
299.01947	0.7
299.05420	8.7
301.03516	0.5
303.04941	77.8
304.05301	2.4
311.05423	1.1
313.07028	0.9
315.04843	0.6
323.05478	1.7
325.03360	0.7
327.04935	13.4
328.05322	0.4
339.04990	3.7
341.06567	0.7
351.04932	2.6
353.06540	0.3
357.05994	2.8
369.06015	7.4
387.07080	6.1
397.25760	0.5
405.08118	7.8
406.08362	0.3
415.26913	0.8
423.09158	0.9
537.24585	0.9
555.25824	11.4
555.34521	0.5
556.26147	0.6
573.26477	0.9
657.28900	0.9
674.32385	0.3
675.30029	5.3
676.30487	0.3
690.68805	0.3
693.31195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01859	0.5
55.05503	7.1
56.94505	0.2
57.03408	0.8
57.07062	1.0
65.03918	0.5
67.05145	0.3
67.05494	9.3
69.03423	1.3
69.07055	9.4
69.80524	0.2
70.06586	1.0
71.04977	1.0
71.69903	0.3
72.08124	0.2
79.05080	0.3
79.05486	3.4
81.03391	0.7
81.07040	10.0
83.04950	0.7
83.08606	5.0
84.04462	0.2
84.08117	0.7
85.02898	2.5
85.06509	0.8
86.09709	0.3
86.46771	0.2
91.05461	3.4
93.07030	5.1
95.04948	0.5
95.08590	9.0
96.08891	0.2
97.02858	1.0
97.06514	1.5
97.09565	0.4
97.10151	4.0
99.04443	0.4
99.08051	0.8
103.03925	0.3
105.03361	0.3
105.07009	2.5
107.01303	0.4
107.08571	2.8
109.02843	0.7
109.10137	3.6
111.08043	0.8
111.11697	1.3
113.09625	0.3
117.07008	0.3
119.08569	2.3
120.08073	0.2
121.02831	0.9
121.10124	3.1
123.04329	0.2
123.08037	0.6
123.11681	1.6
125.09580	0.7
125.13241	0.5
127.03889	2.0
129.05455	0.2
129.10168	0.4
131.04898	0.2
133.10098	2.0
135.11679	2.9
136.07571	0.2
137.05965	0.7
137.09587	0.6
137.13219	0.7
139.11128	0.7
143.10641	0.2
145.04898	0.5
147.11678	1.8
149.13226	0.8
151.11119	0.5
151.14815	0.6
153.01805	0.5
153.12704	0.5
155.04909	1.1
155.05989	0.3
157.12218	0.3
161.13232	1.1
165.12724	0.7
167.07057	0.2
171.13763	0.3
173.05925	0.2
175.14803	0.4
179.14301	0.5
183.04352	1.3
187.03809	0.5
191.17780	0.2
197.05930	0.3
201.05400	1.2
211.03885	7.1
212.04219	0.3
215.03441	0.3
217.05096	0.3
217.19461	2.8
219.02974	1.1
225.05446	1.1
228.04140	0.2
229.04922	5.1
231.06509	0.2
235.20552	3.6
237.03909	0.3
239.03311	1.2
241.04933	0.2
243.02861	0.7
244.23204	0.2
245.04378	0.9
253.04964	1.0
253.21606	4.3
256.03644	1.1
257.04407	52.3
258.04752	2.1
260.03143	2.2
261.03885	7.5
263.01855	0.6
267.02890	2.9
268.03162	0.2
269.04431	0.3
271.05966	3.2
271.22583	0.3
273.03891	27.5
274.04562	3.3
275.05280	0.7
281.04425	1.0
285.03888	100.0
286.04236	4.2
287.01804	1.0
287.05466	1.6
289.03455	0.5
295.05969	0.9
297.03864	2.6
298.04596	0.6
299.01889	0.6
299.05423	7.7
299.08896	0.4
300.05725	0.5
301.03387	0.4
303.04941	79.1
304.05258	3.1
311.05417	1.3
313.03583	0.3
313.07056	1.1
315.04855	0.5
323.05511	1.4
325.03268	0.6
327.04938	14.2
328.05197	0.7
339.04980	4.2
340.05212	0.3
341.06696	0.6
345.05966	0.3
351.04977	2.6
357.05997	2.9
369.05997	7.7
370.06189	0.6
387.07065	5.6
405.08105	8.1
406.08398	0.5
415.26837	1.3
423.09317	1.2
525.36108	0.2
537.24762	1.3
538.25226	0.2
555.25800	11.0
556.26129	1.1
573.26703	0.7
639.27460	0.3
657.29004	1.1
675.30048	4.7
676.30225	0.5
693.31433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01854	6.6
55.05500	22.5
56.05029	2.5
57.03423	19.2
58.99553	1.8
59.04960	1.5
60.04520	1.8
61.01976	1.4
61.02917	14.3
62.03259	1.9
65.03925	3.1
65.16164	1.4
67.05492	40.5
68.05824	3.3
69.03414	13.4
69.07057	14.0
70.02943	3.7
70.06566	3.2
71.04987	9.0
71.67046	3.3
73.02901	5.2
76.02206	6.2
79.05476	44.5
80.05804	3.1
81.03402	95.9
81.07042	58.0
81.07401	1.4
82.07388	5.6
83.04969	24.2
83.08605	32.7
84.04498	3.7
84.08116	8.3
85.02890	44.8
85.06514	4.8
86.03256	1.4
91.03943	6.9
91.05460	55.1
93.06440	1.5
93.07025	36.0
95.04951	39.3
95.08591	22.9
97.02866	15.0
97.06529	9.2
97.10161	7.4
99.04427	3.1
99.08057	3.5
103.03945	1.7
105.07014	42.3
107.04926	12.3
107.08572	19.1
108.08962	1.8
109.02869	3.1
109.06488	9.0
109.10131	9.6
111.04432	3.4
111.08053	15.8
113.05981	5.6
115.05434	3.4
116.01643	3.6
117.07003	5.9
119.08565	33.7
120.08930	2.4
121.06471	5.8
121.10121	19.5
123.04411	1.9
123.08043	4.6
123.11697	4.2
125.09621	5.8
127.03917	5.2
129.06993	15.5
129.10202	3.9
130.04950	2.7
131.08551	22.5
132.08858	2.5
133.06465	4.8
133.10106	26.6
135.08092	4.3
135.11664	5.9
136.07436	1.7
137.05878	2.0
137.09622	3.8
141.07002	1.7
142.03226	2.9
142.07745	4.3
143.08539	2.2
145.04956	2.8
145.06047	21.2
145.10101	7.5
146.10493	2.8
147.07996	5.6
147.11653	23.2
149.09564	13.0
149.13298	2.8
151.11168	4.7
155.08505	1.7
157.10107	21.1
159.11697	5.4
160.12041	2.0
161.09566	2.1
162.02174	5.2
163.11157	2.6
165.12740	4.3
167.07053	2.2
167.10617	1.6
169.84946	1.7
173.13203	1.9
175.11127	21.1
177.12791	2.2
178.13097	2.1
179.04851	5.9
189.11211	2.0
193.12216	70.3
194.12515	2.5
211.13258	100.0
212.13713	2.5
233.06018	2.2
249.15060	2.4
253.14310	3.6
255.15837	1.6
258.19485	2.1
267.15878	43.3
269.17505	6.2
270.17807	3.7
275.20062	7.2
276.20404	6.0
285.03836	4.3
285.16907	85.0
286.17242	2.8
308.08984	2.9
349.23526	5.8
350.24130	8.1
367.24463	2.8
368.25122	4.6
385.23569	7.6
403.24796	2.0
433.25735	3.3
459.27231	28.4
460.27625	2.8
477.28384	44.4
478.28757	3.0
495.29489	76.5
496.29730	6.3
545.28741	5.0
617.30225	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44550	1.1
53.03941	6.0
55.01865	15.0
55.05501	39.9
57.03445	8.6
57.07051	1.8
59.04992	1.6
61.02904	1.5
65.03927	3.5
67.05137	2.5
67.05495	51.2
69.03431	6.7
69.07061	22.3
69.78274	9.9
71.04971	5.6
73.02899	2.2
79.05480	58.8
81.03403	17.8
81.07044	100.0
82.07389	1.5
83.04971	24.6
83.08603	20.5
85.02900	7.5
85.06530	2.7
91.04918	2.2
91.05464	35.9
93.07028	45.6
94.04201	1.5
94.07373	1.4
95.04953	24.6
95.08002	2.2
95.08589	27.8
95.68418	1.3
97.02852	3.9
97.06513	11.4
97.09575	2.4
97.10155	29.4
99.04420	4.0
99.08072	5.3
105.07014	29.1
107.04940	12.6
107.08578	25.9
107.09291	0.8
109.02840	2.3
109.06509	15.0
109.10130	16.6
111.04426	27.5
111.08065	11.3
112.50993	1.3
113.05939	1.7
115.05452	3.4
117.07004	14.4
119.04911	1.5
119.08561	31.3
119.09405	1.8
121.06475	11.7
121.10137	19.1
123.08044	36.0
123.11672	2.4
125.06001	2.4
125.09609	27.2
127.03882	1.9
128.06215	2.2
129.05502	1.4
129.06966	9.7
131.08548	17.5
133.06480	3.7
133.10107	10.7
135.08034	11.9
135.11676	14.2
137.09590	7.4
139.07571	1.7
139.11163	1.8
141.07025	2.3
142.07724	1.5
143.08549	8.1
143.10654	1.5
145.06456	3.2
145.10092	24.2
147.08014	10.8
147.11670	8.9
149.09587	9.4
149.13177	2.1
153.09106	5.5
153.12727	11.2
155.08527	4.4
157.10117	7.1
159.08044	3.1
159.11635	8.1
161.09589	9.1
161.13235	1.3
163.11145	26.8
165.09114	4.7
165.12770	2.2
167.08528	2.0
169.10091	2.2
171.08069	1.4
171.10190	2.7
171.11659	5.1
173.09633	6.3
173.11707	2.4
173.13126	2.8
175.11227	6.1
177.12714	3.3
179.10634	2.7
181.10016	1.8
181.12216	13.1
183.11642	1.6
185.13231	2.1
187.11160	2.4
189.11192	28.1
189.12698	2.0
191.10690	12.6
193.12198	4.2
195.11700	2.4
195.13657	1.4
199.14871	1.5
201.12856	1.6
209.11696	4.2
213.16319	1.5
223.13245	6.7
227.12738	26.2
227.14783	1.8
227.17906	3.0
229.14275	1.4
229.19354	1.4
245.13884	2.0
245.19058	3.5
249.10986	3.3
249.14928	1.6
255.17366	4.1
263.20038	2.3
269.17685	2.1
271.23441	1.4
273.18454	39.0
275.19974	4.3
283.15387	3.4
291.19489	87.8
292.19861	2.6
309.20596	8.4
329.21124	2.1
347.22153	9.7
349.23648	1.9
365.23184	25.7
383.24298	8.0
407.24225	1.3
456.21671	1.2
464.35260	1.4
465.20938	4.2
467.18707	2.6
529.34784	2.6
531.33759	2.3
535.32440	2.1
637.40039	4.0
655.42303	6.8
673.42926	8.2
691.32550	27.6
691.43567	7.5
692.32861	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	691.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.4
55.01854	6.5
55.05502	32.6
57.03426	16.0
57.07044	2.5
65.03926	4.6
65.34126	1.9
67.05494	76.9
69.03416	22.6
69.07059	23.8
71.04978	7.6
71.70391	2.1
73.02913	3.6
78.92303	1.6
79.05481	51.7
81.02936	3.8
81.03404	54.2
81.07043	100.0
83.04514	2.2
83.04971	28.7
83.08603	16.6
85.02905	8.7
85.06524	5.2
91.05466	49.5
93.07031	63.9
95.04966	11.7
95.08591	56.2
95.09200	2.9
97.02879	13.8
97.06503	9.0
97.10146	5.2
99.04423	5.9
99.08074	4.1
103.03919	1.7
105.07024	34.0
107.04905	5.8
107.08577	41.8
107.84304	1.8
109.02898	8.0
109.06481	6.3
109.10141	19.9
111.04410	6.5
111.08072	7.6
117.06999	18.1
119.04961	2.7
119.08566	30.9
121.06477	6.7
121.10113	27.2
121.62592	1.6
123.08038	4.4
123.11710	13.3
125.09648	2.3
125.52154	1.5
127.03890	7.1
129.05455	13.0
129.06990	7.8
130.07747	2.2
131.08557	21.6
133.06500	3.7
133.10097	17.1
135.08044	4.1
135.11691	15.3
137.13268	2.7
139.11205	3.1
141.06952	4.1
142.07756	1.9
143.08508	8.3
144.09259	1.9
145.06520	2.2
145.10081	13.7
147.08009	5.2
147.11668	19.5
149.09630	4.8
149.13245	16.0
151.11160	2.6
155.08510	4.9
157.10107	6.3
159.07994	3.6
159.11678	16.0
161.09576	2.5
161.13245	6.6
163.11195	2.1
163.14822	2.4
165.12711	8.0
167.08493	2.0
169.10158	4.9
171.08018	2.1
171.11668	5.7
173.09634	2.8
173.13188	9.1
175.11188	2.3
175.14766	2.8
177.12698	6.0
181.10065	3.2
183.11650	4.9
185.13203	6.2
187.14775	3.7
195.11967	2.8
195.13771	9.6
197.13263	3.6
199.14786	4.4
207.11713	1.8
207.13606	2.2
213.12804	2.3
226.78531	1.7
227.14278	2.4
231.13849	1.9
245.15544	1.8
259.20499	3.8
261.14990	3.8
261.22037	8.0
267.15860	13.0
269.17410	22.8
275.16302	2.3
275.20081	3.5
277.21707	2.7
285.17062	3.7
295.20721	2.1
301.21573	4.1
303.23148	1.8
321.16962	2.1
335.25864	23.3
337.16547	2.3
337.27322	7.5
339.18039	2.5
345.24155	3.0
347.25546	1.9
351.23090	5.4
356.99411	1.8
369.24252	6.2
387.25211	3.9
405.26431	3.5
411.20108	2.0
413.21545	5.4
414.85809	2.0
423.75171	1.9
479.29797	3.8
529.38770	35.7
547.39807	4.4
572.25745	1.9
637.40680	4.5
655.41479	3.5
673.43152	11.9
691.43750	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	691.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.1
55.01857	6.8
55.05499	35.2
57.03430	11.4
57.07050	4.1
61.02918	1.9
65.03921	4.2
67.05495	94.6
69.03420	25.1
69.07059	25.0
71.01338	3.1
71.04991	13.4
73.02913	2.2
73.18637	1.8
77.03899	2.1
79.05484	53.7
81.03403	53.4
81.07043	100.0
83.04964	31.5
83.08607	15.8
85.02896	7.5
85.06532	4.6
91.05468	48.1
93.07031	63.3
95.04952	12.6
95.08009	3.3
95.08595	62.6
97.02879	17.6
97.06517	11.2
97.10166	4.7
99.04430	4.6
99.08105	2.2
105.04489	1.9
105.07012	36.6
107.04950	5.7
107.08578	37.5
109.02881	11.4
109.06461	6.0
109.10131	26.1
111.04414	10.4
111.08032	6.1
115.05401	1.9
117.07008	17.8
119.08566	29.7
121.06474	7.2
121.10123	29.2
123.08044	4.3
123.11697	13.7
125.09518	2.0
127.03900	8.2
128.06168	2.1
129.05455	11.2
129.07002	11.7
129.97171	1.9
131.04967	1.9
131.08545	27.8
131.71591	1.8
133.06462	4.2
133.10112	21.4
135.08063	4.8
135.11679	15.9
137.09641	3.8
137.13191	2.7
141.06972	2.6
143.08548	12.7
145.06410	2.0
145.10118	15.1
147.08011	4.8
147.10564	2.6
147.11667	20.2
149.09612	4.3
149.13213	17.2
151.11145	3.8
154.87868	2.0
155.08463	4.4
157.10110	6.8
159.08075	3.8
159.11667	20.3
161.09512	2.4
161.13205	6.8
163.11137	2.9
164.62070	1.8
165.12703	6.6
169.10098	5.6
171.08018	2.9
171.11664	7.0
173.04420	2.3
173.09714	2.9
173.13228	8.5
175.11237	3.7
175.14792	2.5
177.12752	5.5
181.10106	2.6
183.11659	5.4
185.09618	2.8
185.13284	6.4
187.11163	2.4
187.14780	4.8
189.12691	3.7
195.11823	3.0
195.13794	8.2
197.13225	3.9
199.11174	2.5
199.14726	2.1
201.12823	2.5
209.13303	2.2
211.14906	2.5
215.14296	2.3
223.14693	2.2
233.15393	2.9
259.20523	3.8
261.22119	6.7
267.15833	10.1
269.17468	22.2
275.16425	3.0
275.20050	2.8
277.21725	2.5
301.21515	3.9
303.23410	3.1
309.21863	2.3
315.23004	2.1
317.24670	2.2
333.24295	2.4
335.25793	26.1
337.27390	8.5
339.17883	4.3
351.23062	4.4
369.24173	9.7
371.25677	2.5
382.60818	2.4
387.25232	6.3
405.26245	3.0
413.21506	5.3
443.27637	3.2
461.29117	2.7
479.29773	4.2
529.38904	37.8
530.38934	2.8
547.39355	2.2
593.45728	2.6
637.40802	4.6
655.41766	5.6
673.43304	10.6
691.43762	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
54.40444	3.7
55.01863	5.1
55.05506	25.6
57.03424	14.3
65.03944	4.5
67.05145	3.9
67.05499	91.2
69.03414	22.3
69.07061	29.6
69.65974	29.0
71.04971	10.7
79.05483	61.6
81.03413	47.4
81.07047	100.0
83.04959	23.9
83.08602	15.2
85.02902	7.7
85.06552	4.7
91.05469	44.7
93.07038	68.1
95.04943	15.0
95.08596	58.8
97.02872	19.0
97.06516	12.6
97.10159	5.4
98.21475	6.9
99.04396	6.3
105.07011	35.8
107.04929	6.6
107.08591	38.2
109.02853	10.1
109.06449	5.7
109.10155	20.3
111.04420	7.8
111.08040	7.4
117.06966	13.8
119.08554	28.4
121.10154	22.2
123.08067	5.3
123.11672	9.1
125.09574	3.4
127.03914	11.7
129.05476	9.3
129.07002	10.1
131.08549	27.4
133.06409	5.1
133.10074	22.0
135.08061	5.8
135.11676	20.5
143.08534	4.2
145.10118	18.4
147.08041	3.4
147.11658	23.1
149.09599	4.0
149.13246	20.3
155.08511	5.5
157.10094	10.4
159.11653	19.7
161.13197	7.4
165.12688	5.8
169.10112	10.3
170.28769	3.8
171.11600	5.7
173.13217	10.3
177.12727	12.5
181.10080	4.2
183.11682	6.7
185.13293	4.4
187.14758	5.4
192.95238	3.5
195.13727	9.6
197.13174	5.7
199.14784	5.0
251.90904	4.2
259.20718	4.8
261.22040	7.8
267.15884	7.6
269.17416	29.1
301.21603	3.7
327.23190	3.8
335.25702	22.3
337.27316	8.0
339.17743	5.4
351.23013	4.9
353.67825	3.6
369.23993	8.2
413.21799	7.1
443.27762	3.8
479.29797	5.0
529.38849	42.6
655.41547	6.6
673.42554	12.9
691.43652	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.0
53.03942	12.7
55.01863	13.0
55.05271	2.6
55.05502	28.7
57.03423	14.8
57.07043	2.2
64.78062	1.9
65.03908	5.4
67.05493	76.9
68.05835	2.9
69.03415	21.5
69.06738	2.6
69.07061	28.8
69.74162	1.8
71.01337	2.4
71.04992	10.4
71.69997	2.3
79.05480	61.9
81.02946	2.6
81.03407	45.6
81.07041	100.0
82.07362	3.4
83.04968	18.6
83.08618	14.5
85.02878	8.0
85.06519	4.9
89.32665	2.1
91.05465	51.3
93.07030	62.8
95.04958	24.8
95.08595	39.2
97.02896	13.4
97.06516	19.1
97.10125	8.8
99.04430	7.9
99.08088	3.1
102.21710	2.2
103.05442	3.0
105.07011	43.5
107.04941	11.1
107.07835	2.5
107.08573	45.9
109.02831	8.9
109.06492	23.0
109.10139	18.5
111.03728	2.1
111.04397	10.1
111.08045	5.7
115.05402	2.3
117.07005	18.5
118.07293	2.2
119.08562	29.4
120.08927	3.0
121.06462	7.2
121.10129	16.3
123.04411	3.9
123.08008	10.9
123.11671	8.0
125.09612	3.9
127.03890	10.8
128.06108	2.5
129.05458	4.5
129.06960	9.5
131.08556	17.4
133.06470	5.2
133.10112	23.5
135.08014	9.0
135.11673	30.2
137.09579	5.7
141.06970	4.4
143.08495	6.8
145.04971	2.1
145.06451	8.7
145.10086	17.8
147.07986	6.6
147.11639	18.6
149.05986	3.2
149.09605	10.6
149.13235	6.0
151.11119	6.2
155.08498	3.9
157.10072	6.0
159.08041	2.7
159.11636	11.6
161.09624	4.8
161.13234	5.9
163.11113	12.1
165.12717	6.3
169.10074	4.1
171.11610	5.0
173.04410	5.8
173.13229	5.0
175.07523	3.1
175.11224	4.0
177.12750	5.9
179.14333	2.4
181.12202	7.0
183.11684	3.7
185.09491	3.4
185.13206	2.9
195.13763	3.1
197.13127	2.2
199.11099	3.9
199.13161	2.4
201.12679	3.5
223.13397	2.9
247.20541	3.7
253.14226	3.7
255.15829	17.1
257.18887	5.0
260.44913	2.0
267.15768	3.0
273.46033	2.1
275.20050	47.5
277.21744	2.3
291.19342	3.8
293.21075	12.9
325.16425	6.6
335.25726	2.7
349.23709	16.8
355.22473	2.5
363.18384	2.6
367.24698	5.4
381.18906	6.2
399.20065	7.1
413.21634	3.0
419.23898	2.9
455.31281	2.2
493.27948	2.7
503.37234	6.4
529.34900	16.5
529.94568	2.1
547.36212	9.4
643.38757	2.8
655.39172	3.1
673.39630	8.8
691.41577	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	691.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01864	6.5
55.05503	6.1
57.03415	3.2
61.02904	2.7
65.03925	0.9
67.05493	14.3
68.65134	0.8
69.03420	1.8
69.07059	13.9
69.75808	5.6
71.04973	0.8
73.02904	2.0
76.71087	0.7
79.05476	12.2
80.64053	0.7
81.03398	6.0
81.07043	19.2
83.04947	3.4
83.08604	2.9
84.08155	0.8
85.02885	2.0
91.03915	1.9
91.05462	14.3
93.07035	11.9
95.01337	3.7
95.04947	5.0
95.08576	12.7
97.02859	1.8
97.06512	13.6
97.10150	1.7
105.07011	22.0
106.07360	1.0
107.04922	7.4
107.08579	8.2
109.06494	2.4
109.10117	4.0
110.31549	0.8
111.08089	1.0
114.52215	0.8
117.06954	5.3
119.08562	11.7
121.06464	2.2
121.10125	4.1
123.08025	2.2
123.11703	1.1
125.09584	1.3
127.03889	1.3
129.06979	1.6
131.08546	8.0
133.10106	12.8
135.08052	1.5
135.11661	3.7
137.09579	1.6
141.06929	0.9
143.08598	1.5
145.06473	1.9
145.10121	5.7
147.03372	0.9
147.07967	0.8
147.11661	6.5
149.09598	3.0
149.13264	1.7
151.11134	1.4
155.08588	1.1
157.10146	1.7
159.07988	1.4
159.11638	4.3
161.09671	1.0
161.13210	2.0
163.03943	1.0
163.11205	2.2
165.09087	1.0
169.10135	1.1
171.11588	0.9
173.13167	1.2
177.12720	2.6
179.14299	5.0
187.11191	1.9
195.13640	0.8
227.12808	1.5
241.14273	0.9
247.20515	0.8
257.18930	2.0
275.17133	1.6
275.20029	23.9
276.20468	1.0
276.85791	0.8
293.21100	1.3
296.41022	0.8
327.04916	1.0
349.23672	100.0
350.24045	3.3
453.69659	0.8
493.27710	1.7
494.28195	2.0
495.29395	1.2
511.28931	2.9
691.24811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34487	1.6
53.03950	6.8
55.01860	8.3
55.05503	24.1
55.05757	1.9
57.03424	19.1
61.02915	67.4
65.03939	3.6
67.05492	46.3
69.03417	29.8
69.07056	25.8
70.06594	4.9
71.01365	4.7
71.04995	7.3
71.08618	2.0
71.70270	2.3
71.70636	1.6
72.08164	2.1
73.02908	28.0
73.03274	2.6
74.44740	1.4
79.05480	39.6
79.05922	2.2
81.03403	30.3
81.07043	85.5
83.01333	1.6
83.04967	10.5
83.08609	16.5
84.08145	3.3
84.75813	1.5
85.02892	77.0
85.06548	5.5
85.07668	4.4
87.04488	4.4
90.28123	1.4
91.03938	43.6
91.04467	2.7
91.05468	33.0
91.22881	1.6
93.07033	33.9
95.04956	15.7
95.08591	27.9
97.02876	69.7
97.06520	15.0
97.10184	4.8
99.04436	10.1
99.08099	6.8
101.02368	9.9
103.03955	6.9
105.07011	34.9
107.04939	10.9
107.08573	24.0
109.02869	11.5
109.06502	25.4
109.10145	13.8
111.04468	3.6
111.08113	5.5
113.05931	1.6
113.59826	1.5
115.03934	3.8
117.06986	8.5
119.08562	26.3
121.06480	7.5
121.10132	17.4
123.04435	3.9
123.08028	11.2
123.11708	7.3
125.09644	5.1
127.03899	28.6
127.07568	3.3
129.05472	3.0
129.07005	4.9
131.08551	15.9
133.06578	3.5
133.10106	17.9
135.08035	9.4
135.11674	9.7
137.06003	2.5
137.09631	5.8
143.08562	4.3
145.04980	12.5
145.06462	2.0
145.10109	16.9
147.08032	2.1
147.11673	23.9
149.09605	11.5
149.13200	7.7
151.11194	3.8
155.08536	1.7
157.10161	6.5
159.08049	2.1
159.11636	11.4
161.09618	3.8
161.13249	5.1
163.06049	4.9
163.11172	8.8
165.12743	6.2
169.10159	2.2
171.06654	1.8
171.11632	3.8
173.09651	1.8
173.13289	5.1
175.11177	6.3
177.12805	6.9
179.14262	2.3
181.12230	1.8
183.06427	11.0
183.11787	2.8
185.13342	1.6
187.11226	3.3
189.11195	2.6
189.12689	3.4
191.14381	1.8
193.12289	5.5
197.13309	2.0
200.03026	1.8
201.07585	5.6
201.12862	2.0
211.13287	2.5
219.13786	1.7
227.12643	3.4
229.14452	3.0
229.19507	3.7
235.92708	1.8
239.17996	3.3
247.20663	5.7
257.18964	8.5
267.15738	2.5
269.17465	3.1
273.18408	2.1
275.20020	100.0
276.20453	3.2
285.16794	3.3
287.76022	1.9
291.19684	5.3
293.17734	2.7
293.21039	45.9
294.21658	2.4
349.23621	32.4
359.22397	2.1
365.23480	1.8
367.24756	69.2
368.25082	2.7
391.24792	4.5
395.24503	3.3
403.25000	2.1
433.25922	3.4
437.25217	2.0
457.25684	3.0
475.26871	7.4
476.27319	2.2
493.27658	9.5
494.28387	3.0
495.29523	2.3
511.28851	13.0
529.29736	3.2
586.65265	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	691.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.5
55.01862	18.3
55.05506	25.8
57.03425	15.5
61.02916	38.7
67.05136	2.7
67.05495	42.6
69.03420	22.0
69.07063	21.4
70.30915	7.6
71.01321	2.4
71.04989	4.9
73.02912	16.3
79.05478	41.6
81.03412	18.9
81.07043	42.7
82.37148	1.4
83.04970	8.0
83.08608	18.7
85.02893	47.8
85.06576	2.3
87.04461	2.1
91.03945	23.8
91.05460	26.8
93.07029	32.3
95.04944	8.2
95.08599	19.5
97.02874	35.9
97.06515	24.9
97.09562	3.0
97.10155	27.2
97.10746	3.1
99.04436	6.3
101.02354	2.9
103.03933	5.0
105.07016	29.0
107.04947	12.6
107.08580	39.8
109.02850	8.9
109.06503	4.6
109.10131	15.6
111.04422	2.1
111.08068	4.7
115.03992	1.9
117.07021	8.3
119.04980	1.6
119.08572	21.9
121.06484	4.9
121.10145	13.7
123.04348	2.6
123.08077	2.7
123.11688	4.0
125.09609	28.1
127.03892	14.9
129.06998	5.9
131.04948	2.5
131.08530	12.6
133.06464	3.4
133.10110	21.3
135.08044	8.1
135.11649	8.3
137.09601	3.1
141.06924	1.7
143.08533	3.6
143.10707	2.3
145.04919	6.0
145.10112	18.3
147.11652	13.7
149.09615	19.3
149.13231	4.5
150.68304	1.9
151.11134	2.5
153.09019	1.8
157.10121	5.0
159.07994	2.0
159.11699	10.5
161.09607	4.0
161.13239	4.8
163.05952	3.8
163.11137	12.3
169.10127	1.8
171.10127	7.9
171.11555	3.2
173.09586	2.2
173.11716	2.9
173.13174	3.6
175.11125	2.2
177.12709	4.5
178.03104	1.7
179.14326	3.8
181.12228	2.1
183.06525	4.0
183.11676	2.7
185.13283	2.1
187.11142	3.4
187.13197	2.4
189.11189	26.7
189.12833	2.5
195.13840	2.6
197.13245	2.2
201.07564	2.2
201.12704	2.2
205.12285	1.9
213.14664	2.0
219.13829	2.5
227.12740	29.7
229.14345	6.8
233.15132	1.9
233.26535	1.8
239.17950	5.4
245.13818	15.6
253.18033	4.4
257.18976	11.4
259.61871	1.7
269.17377	12.2
275.20007	61.5
275.23050	3.2
293.21097	6.7
297.17133	1.8
349.23685	100.0
350.24051	3.5
353.19763	2.0
367.24741	30.0
373.23514	2.6
389.17990	3.6
391.24612	6.4
413.21503	3.0
457.25732	4.1
475.26920	2.1
493.28058	4.6
511.29022	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01863	8.8
55.05507	22.2
57.03428	15.8
59.05011	2.4
59.74996	1.9
61.02918	57.0
63.70562	2.0
65.03927	2.1
67.05494	39.6
69.03426	22.8
69.07054	17.1
71.01350	2.4
71.04977	6.5
71.70987	2.2
71.71378	2.5
73.02905	16.6
76.17682	2.1
77.32036	2.2
79.05475	31.9
81.03408	32.2
81.07047	55.6
83.04973	10.3
83.08611	25.3
85.02895	64.3
85.06553	4.2
91.03947	32.0
91.05458	35.5
92.05833	1.9
93.07030	34.9
93.07588	2.9
95.04958	21.2
95.08591	30.0
97.02880	43.4
97.06518	8.1
97.10158	4.2
99.04453	7.9
99.08080	3.3
101.02404	5.1
103.03921	2.4
105.07010	35.4
107.04949	14.3
107.08581	24.2
108.08939	2.6
109.02863	10.3
109.06528	12.8
109.10149	14.4
111.04471	3.7
111.08054	7.7
115.03912	4.4
117.07025	11.7
119.08569	28.8
121.06499	7.0
121.10116	16.7
123.04388	2.9
123.08091	10.3
123.11710	6.4
125.09616	4.7
127.03896	23.8
129.05524	2.6
129.07016	6.0
131.08545	18.9
133.10112	25.7
135.08038	7.4
135.11685	17.2
135.95409	1.7
137.05916	2.5
137.09590	7.5
141.06990	2.3
143.08542	2.3
145.04964	10.3
145.10078	22.2
147.08081	2.7
147.11665	22.1
149.09598	21.9
149.13232	6.9
151.11171	5.1
157.10143	6.6
159.11707	12.3
161.09596	5.0
161.13222	3.9
163.06036	3.1
163.11157	26.0
164.11565	5.3
165.12746	6.5
169.10112	3.1
171.11705	4.3
173.09607	2.6
173.13293	6.7
175.11133	4.0
177.12752	3.2
181.12163	3.3
183.06532	7.6
183.11700	3.4
185.13106	2.5
187.11276	2.1
189.11235	2.7
191.14311	2.3
193.12262	6.0
194.12439	2.3
197.13245	2.7
201.07526	2.7
201.12778	3.3
205.12303	2.4
211.13200	5.1
221.15457	2.1
223.13272	5.0
223.49702	2.3
227.12738	8.4
228.13106	5.2
229.19540	5.4
239.17923	7.7
247.20561	5.5
257.19022	17.1
261.70801	2.2
267.15894	5.8
268.16125	2.5
275.20023	100.0
283.15347	5.6
284.15756	5.3
285.16959	6.5
286.17242	5.6
293.21036	20.7
349.23727	64.0
349.28021	4.5
350.24313	2.9
367.24750	40.8
391.25034	4.5
433.25946	3.7
457.26038	2.5
475.26691	6.1
476.27097	6.2
493.27731	10.5
494.28256	12.3
495.29318	4.0
511.29300	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	691.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95118	0.3
70.83577	0.6
81.07043	0.3
165.82559	0.3
196.09923	0.4
197.10712	0.4
204.06573	0.4
207.08992	0.4
208.09976	0.4
209.10786	0.6
210.11493	1.0
211.08560	0.4
211.12221	0.7
212.13338	0.4
221.10757	0.8
223.08658	1.2
223.12181	1.3
224.13066	0.7
225.06451	0.3
225.10312	0.8
225.13818	2.9
226.14607	1.0
234.17383	0.3
235.12288	0.9
237.10162	0.4
237.13870	1.6
238.14645	0.7
239.15503	0.3
249.10193	0.3
249.13873	1.3
251.08151	1.5
251.11838	0.3
261.13937	0.3
269.12845	0.5
270.13794	0.3
273.13821	0.3
275.15488	0.5
302.12701	0.4
309.08670	0.5
312.14810	0.3
314.12943	0.5
316.14389	0.7
323.10434	0.3
324.11282	0.4
325.12317	0.4
326.12802	0.6
338.12418	0.4
339.13208	0.3
340.10788	0.3
343.60394	0.3
352.14523	0.4
354.15939	0.4
375.16473	0.4
389.17715	1.1
398.14865	0.3
399.19360	0.6
403.14819	1.3
404.15799	0.4
404.20419	0.5
405.20709	0.9
412.16632	0.5
415.16550	0.5
416.16763	0.4
417.17126	3.9
418.17569	2.5
419.18524	1.1
420.22659	0.5
423.12289	0.3
430.13708	0.5
430.18906	0.5
431.19150	2.0
432.19443	2.8
433.20120	4.4
445.16562	1.3
445.21170	0.6
446.21371	0.5
447.16312	0.6
447.21863	9.7
448.22278	1.1
455.18613	0.5
459.17285	0.4
459.22620	0.7
460.18814	0.9
461.19125	0.9
462.19971	0.6
473.19977	0.4
474.20703	0.8
475.21213	21.1
476.21838	4.9
477.22629	0.5
489.22974	1.1
493.22568	0.4
503.20062	2.2
507.23724	0.5
519.23853	1.2
521.21478	0.5
534.25446	0.4
535.23297	14.8
536.23358	0.7
547.23401	2.0
549.25000	1.2
562.25732	3.4
563.26624	2.7
579.25659	0.6
590.25208	1.6
594.27838	0.4
607.25403	1.1
622.27747	100.0
623.28107	6.4
691.34570	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	691.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.68658	3.1
77.00889	5.7
90.36171	2.1
95.01924	6.6
97.02872	2.9
101.00862	5.8
118.35035	3.1
119.01911	22.9
123.95341	2.5
131.01897	10.6
131.04897	3.3
137.02910	4.7
143.01834	15.1
145.03436	11.2
147.04367	24.2
155.01888	13.6
157.03476	6.8
161.02960	18.9
167.01985	5.3
169.03474	3.0
171.04378	7.1
173.02930	26.5
179.01852	4.3
185.02904	35.7
187.04535	4.2
189.05464	22.2
197.02950	12.6
203.03999	8.6
211.02519	2.5
215.03995	5.6
223.04572	4.8
227.03990	6.2
229.03520	7.5
245.05031	65.0
245.40640	2.5
246.05457	3.6
247.04489	50.0
254.47960	2.6
259.04556	9.6
263.06152	9.0
265.05524	55.7
266.05756	2.4
270.34430	2.4
271.04507	4.3
275.06140	6.5
277.05539	8.8
283.06714	11.0
289.05527	17.1
293.07220	2.6
295.06580	8.0
301.05573	7.3
305.07291	6.7
307.06613	30.0
319.06723	3.2
325.07574	6.1
349.07629	87.0
350.07956	3.6
365.09378	5.0
367.08704	100.0
368.08966	6.6
385.09659	26.5
390.10138	12.9
409.09702	74.7
409.14896	4.7
410.09882	6.4
427.11362	2.7
435.56583	2.5
439.10776	11.6
469.11716	8.2
511.13101	14.6
529.14142	8.3
608.04608	2.5
691.19147	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	2.1
53.03937	15.4
55.01854	10.1
55.05502	33.9
56.05851	2.0
57.02693	1.7
57.03426	18.7
57.07063	3.4
59.04963	1.8
61.02913	8.6
65.03925	7.1
67.05136	4.6
67.05496	81.0
67.80425	1.8
69.03419	24.1
69.07056	28.8
69.49404	2.0
69.49726	21.2
71.01350	2.6
71.04984	15.4
71.08634	2.4
73.02913	5.9
76.15823	2.0
77.03912	3.1
79.05484	68.2
81.03409	95.4
81.07045	100.0
82.07372	3.6
83.04974	21.4
83.08611	12.9
85.02881	17.3
85.06546	4.5
91.03925	2.9
91.05466	58.3
92.05792	2.7
93.07027	69.8
95.04967	15.3
95.08590	54.9
97.02889	35.0
97.03483	3.9
97.06541	10.1
97.10127	6.1
99.04443	8.9
99.08089	10.7
101.02406	2.5
103.05487	2.8
105.07012	51.0
106.07363	2.8
107.04935	7.9
107.08578	49.6
108.08884	2.2
109.02869	14.2
109.06502	11.7
109.10145	19.3
110.90102	1.8
111.04430	8.5
111.08052	6.1
113.05997	2.3
113.09637	3.4
115.05466	3.1
117.07009	24.5
119.04989	2.1
119.07733	4.1
119.08566	47.5
121.06445	5.7
121.10137	27.3
123.08073	9.7
123.11681	9.7
125.09602	5.8
127.03899	12.7
128.06197	4.9
129.05452	7.1
129.06976	22.3
131.08546	41.4
133.06439	4.0
133.10112	30.8
133.97475	2.2
135.08020	5.8
135.11687	13.5
137.09554	4.3
139.95267	2.0
141.06987	7.8
142.07774	5.1
143.08539	21.0
145.06461	3.1
145.10106	29.6
147.08023	5.9
147.11661	28.1
149.09627	6.1
149.13243	7.5
151.11180	5.4
153.07045	3.7
154.07718	2.3
155.08554	12.9
156.09308	3.1
157.06482	2.5
157.10114	18.7
159.08018	4.7
159.11670	21.9
161.09596	6.1
161.13206	10.6
163.11162	4.8
163.14842	3.3
165.12762	8.3
167.08548	5.9
169.10103	13.9
171.11644	17.9
173.04462	19.3
173.09560	3.7
173.13225	10.1
175.11227	4.5
175.14799	5.7
177.12651	4.9
179.08481	2.3
179.14291	4.1
181.10115	8.9
183.11684	14.8
185.09627	2.4
185.13243	12.7
187.11087	4.7
187.14780	6.4
195.11647	8.8
195.13687	3.7
197.13261	9.0
199.11099	2.4
199.14793	4.1
201.12761	2.8
201.16437	3.3
207.11702	4.1
209.13226	5.5
211.14825	6.5
213.12675	2.1
217.15881	2.6
219.11646	3.5
221.13377	3.8
221.74959	2.3
223.14964	4.1
225.16344	4.2
231.21091	2.7
235.14929	2.3
237.16455	3.4
239.18004	2.5
241.19545	5.9
253.14162	2.8
255.17574	3.2
257.19055	2.3
259.20670	11.4
261.22058	6.0
267.15964	10.0
269.17462	8.5
271.20557	3.2
273.18469	7.7
275.19986	10.4
277.21561	4.4
289.17841	2.4
291.19580	8.9
333.24149	6.7
335.25870	7.5
349.23593	2.8
367.22549	3.7
411.19940	3.7
413.21661	2.8
435.32520	12.5
453.33591	7.9
471.34830	4.0
509.35980	7.1
511.36102	2.5
517.38525	2.9
525.35669	4.7
527.37238	83.8
528.37830	4.6
539.37842	2.5
545.38580	11.3
569.37988	3.1
635.39349	6.6
653.39758	10.1
671.41400	13.0
689.42310	61.0
690.43018	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81751	1.5
53.03939	12.9
54.77527	1.4
55.01864	9.6
55.05276	1.8
55.05505	29.0
57.03425	13.5
57.07051	4.7
61.02911	7.0
65.03920	3.0
67.05493	76.5
68.05814	1.7
69.03422	26.5
69.07059	25.9
71.01353	2.0
71.04978	15.0
71.08616	3.0
73.02898	4.1
73.06530	1.4
79.05482	60.0
79.99689	1.5
81.03406	81.6
81.07043	100.0
82.20392	1.4
83.04971	18.9
83.08607	17.8
85.02895	12.6
85.06522	6.5
91.03938	3.4
91.05466	55.0
91.06036	3.3
93.07028	66.0
95.04951	16.4
95.08591	43.1
97.02880	26.8
97.06499	9.4
97.10160	7.4
98.21458	4.2
99.04457	11.5
99.08067	6.6
105.07015	50.4
106.07359	1.7
107.04944	9.3
107.08570	40.9
109.02848	10.7
109.06492	12.9
109.10141	18.6
111.04429	7.3
111.08059	5.6
111.87643	1.4
115.05465	2.9
116.06222	1.6
117.06995	23.6
118.07898	1.6
119.08559	44.6
120.81332	1.4
121.06480	5.4
121.10119	26.6
123.08070	9.8
123.11671	8.7
125.05991	2.0
125.09610	6.0
127.03902	12.0
128.06195	5.1
129.05469	7.1
129.06990	16.8
130.07692	1.7
131.07648	2.5
131.08554	33.7
133.06496	3.7
133.09167	2.3
133.10114	28.0
134.10483	1.6
135.08038	4.1
135.11671	19.3
137.05923	1.6
137.09598	4.1
137.13231	2.8
141.06984	8.2
142.07768	3.2
143.08560	18.8
145.06485	2.9
145.10117	23.8
147.07976	4.5
147.11659	32.6
149.09608	5.8
149.13222	11.8
151.11116	4.0
155.08519	9.4
156.09178	1.6
157.06525	2.5
157.10123	18.2
159.08047	3.1
159.11685	24.8
161.09607	4.3
161.13216	7.9
163.11134	6.5
163.14775	3.0
165.06900	1.6
165.09039	2.0
165.12759	10.5
167.08569	3.6
168.09476	1.6
169.10091	12.1
170.10808	1.9
171.08015	1.6
171.11630	15.9
173.04417	14.0
173.09700	1.8
173.13240	13.1
175.11270	2.5
175.14810	3.7
177.12718	3.1
179.08510	2.4
181.10109	4.8
181.12061	2.0
183.11682	11.8
185.09637	2.5
185.13266	9.4
187.11130	2.3
187.14848	3.3
189.11229	2.8
191.14333	2.0
193.10057	1.9
193.12164	1.9
195.11716	5.4
195.13742	3.0
197.13248	7.9
199.11157	2.5
199.14830	6.8
201.12758	2.2
201.16435	2.5
205.10138	2.2
207.11682	2.1
209.13239	6.1
209.14998	1.6
211.14818	4.9
213.12830	2.1
213.16457	2.9
215.14389	2.3
221.13229	2.7
223.14830	3.9
227.12617	2.6
229.19394	2.2
230.07335	1.6
237.16319	2.0
241.19522	4.8
243.21074	1.6
257.19006	3.6
259.20544	10.9
261.22012	7.0
267.15921	10.5
269.17474	4.9
271.20465	1.7
273.18509	8.4
273.21295	1.5
275.20020	10.1
277.21616	3.0
283.20538	1.8
285.16837	3.5
291.19415	8.2
299.19794	1.5
301.21542	2.9
307.22647	2.7
327.23096	1.8
333.24274	7.6
335.25769	10.4
339.18228	1.8
339.23041	2.3
347.22223	3.2
349.23724	2.6
365.23254	3.1
367.22443	2.5
369.24243	2.6
375.25342	1.7
381.26172	2.6
385.23468	2.3
390.23941	1.7
411.20267	4.2
413.21609	4.4
417.31839	2.0
425.34409	2.0
435.32587	9.3
453.33594	5.6
471.34332	3.2
503.37231	1.6
509.36240	3.9
517.38959	4.3
525.35089	2.2
526.36023	1.8
527.37238	66.3
528.37579	3.9
529.38818	2.1
539.37256	2.4
543.36346	2.9
545.38525	9.3
557.38354	2.0
569.38300	2.6
597.37897	1.7
623.39911	1.7
635.38959	4.3
653.40082	5.4
671.41534	12.0
689.42352	51.1
690.42950	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	689.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.4
55.01859	13.6
55.05279	2.2
55.05507	33.5
56.78963	1.8
57.03426	15.3
57.07055	2.7
61.02907	5.9
63.87427	1.9
65.03918	5.0
67.05494	73.3
69.03414	20.5
69.07053	28.2
70.07375	2.4
71.01322	2.4
71.04987	13.6
73.02899	6.1
77.03896	2.4
79.05483	71.8
80.05812	2.1
81.03403	78.1
81.03882	4.6
81.07043	100.0
82.07377	4.9
83.04965	24.0
83.08609	20.6
85.02892	16.1
85.06514	4.7
91.03930	5.1
91.05462	67.7
92.05788	2.9
93.07028	66.3
94.07360	3.3
95.04958	23.4
95.08006	3.7
95.08589	49.3
97.02880	30.7
97.06517	10.9
97.10153	9.1
98.21482	4.6
99.04440	10.4
99.08070	8.4
103.05476	2.2
105.07008	59.2
105.07716	3.0
106.07338	3.0
107.04934	9.7
107.08574	43.0
109.02854	12.4
109.06498	14.6
109.10136	17.0
111.04411	8.4
111.08051	7.7
113.05972	4.9
115.05398	2.4
116.06178	2.7
117.07000	27.4
119.08559	42.1
121.06498	6.8
121.10120	32.0
123.04339	2.8
123.08085	9.6
123.11688	9.9
125.09589	5.9
127.03880	14.2
128.06197	6.7
129.05452	6.9
129.06985	18.9
131.08546	37.5
133.06438	4.3
133.10109	32.6
135.08017	5.6
135.11679	17.7
137.09569	5.5
139.11166	3.7
141.06975	8.0
142.07745	3.2
143.08536	19.6
145.06464	3.4
145.10094	28.3
145.11194	2.5
147.08000	5.6
147.11662	37.9
149.09569	6.1
149.13269	14.7
151.11107	5.9
153.09166	2.0
154.07774	2.4
155.08508	11.7
157.10101	16.7
159.08038	4.2
159.11664	24.2
161.09546	4.9
161.13220	13.0
163.11165	7.5
163.14822	2.9
165.09062	2.0
165.12721	10.4
167.08551	4.3
169.10065	12.0
171.11644	13.1
173.04448	10.0
173.09583	3.6
173.13248	11.8
174.10083	1.8
175.11160	3.7
175.14835	4.8
177.12680	4.5
179.08580	2.6
181.10095	5.2
183.11699	14.5
185.09627	3.8
185.13258	13.8
187.11150	4.0
187.14798	6.0
191.14220	2.6
193.10098	3.9
193.12068	3.0
195.11711	5.1
195.13832	2.3
197.13264	9.5
199.11105	2.9
199.14807	5.3
201.12779	2.3
203.14246	3.4
207.11613	3.9
209.13264	5.3
211.13104	2.4
211.14821	3.4
213.16402	3.2
217.15958	3.3
221.13286	4.7
221.37224	1.9
229.14398	3.3
235.14784	2.7
237.16425	3.2
241.19444	5.7
257.18939	3.2
259.17059	2.3
259.20511	13.5
261.22128	6.5
267.15900	9.8
269.17535	7.7
271.17093	2.2
273.18503	6.2
275.20001	12.8
276.20496	3.6
277.20819	3.0
283.20648	2.4
285.17035	4.3
289.17792	3.8
291.19470	8.2
299.19894	2.4
301.21637	3.6
325.21750	2.3
333.24356	10.2
335.25769	8.3
339.17914	3.7
347.22025	2.5
349.23404	2.6
351.19528	2.2
351.23462	3.6
363.21613	2.3
365.23096	3.0
367.22629	3.1
385.23672	3.1
387.25613	2.1
411.20123	4.9
413.21567	4.9
417.31290	2.4
435.32394	7.9
453.33246	4.6
509.35950	5.5
517.38934	3.0
525.35309	4.1
527.37329	65.1
528.37628	6.2
529.39087	2.9
543.36847	3.0
545.37946	8.4
559.24249	2.1
561.33820	2.2
611.38940	2.3
635.38953	7.0
653.39673	9.1
671.41382	11.7
689.42371	45.2
690.42139	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01855	7.0
55.05505	24.6
57.03429	16.1
57.07056	2.6
61.02925	12.2
65.03923	2.2
67.05137	3.1
67.05497	62.6
68.05851	2.6
69.03423	22.5
69.07056	21.2
70.24236	6.4
71.04972	9.4
73.02905	6.4
79.05483	42.8
80.05823	2.0
81.03407	52.2
81.07043	74.5
83.04970	17.7
83.08604	14.8
85.02897	19.1
85.06524	4.3
91.03950	6.7
91.05464	41.9
93.07031	54.7
95.04967	14.2
95.08591	38.8
97.02880	23.5
97.06516	9.5
97.10167	6.4
99.04469	4.9
99.08096	2.7
101.02351	2.7
101.05947	1.6
103.03905	1.9
103.05462	2.6
105.07015	42.3
107.04947	5.8
107.08581	26.7
109.02886	7.5
109.06491	8.4
109.10126	16.1
111.04446	4.4
111.08066	6.1
111.11619	1.9
115.05443	2.5
117.06999	21.5
117.72244	1.4
119.08569	31.2
119.18916	1.6
120.08913	2.6
121.06491	3.7
121.10139	20.6
123.08068	6.8
123.11688	5.3
125.09630	3.6
127.03925	8.5
128.06216	4.9
129.05461	6.3
129.06999	18.7
130.07796	2.4
131.08554	33.5
133.06505	2.9
133.10117	27.6
135.08020	4.2
135.11673	10.8
137.06003	2.4
137.09601	2.6
141.06955	9.0
141.70770	1.4
142.07791	2.9
143.08545	21.7
145.00980	1.7
145.06519	3.8
145.10103	27.7
147.08040	3.7
147.11662	26.7
149.09572	2.4
149.13252	9.2
151.07591	1.7
151.11185	3.5
153.06929	2.9
155.08522	12.2
156.09341	2.4
157.10124	20.3
159.11661	22.2
161.09561	1.9
161.13214	7.7
163.11203	4.4
163.14769	2.9
165.06956	2.0
165.12749	4.6
167.08559	4.0
169.10109	15.8
171.08040	3.5
171.11676	19.2
173.04443	7.6
173.09695	3.0
173.13229	9.2
175.11171	4.0
175.14807	3.2
177.12747	4.0
179.08568	2.1
179.14285	1.9
180.09389	2.9
181.10115	6.6
183.11646	13.7
185.09630	1.8
185.13202	13.9
187.11156	2.3
187.14847	6.7
189.12811	2.5
193.10106	3.4
194.10818	2.5
195.11717	7.4
195.13667	2.5
197.13200	7.8
199.14854	6.2
206.25510	1.6
207.11652	3.6
209.13246	6.3
211.14845	5.8
213.16512	1.8
221.13301	2.9
223.14827	3.4
237.16380	3.3
239.17923	2.3
241.19530	4.2
249.16251	1.7
257.19037	2.7
259.20477	8.6
261.22095	4.5
267.15900	6.4
269.17493	5.7
271.20663	2.0
273.18558	2.4
275.20010	6.2
277.21506	3.2
291.19492	3.5
295.20663	2.1
297.22107	2.3
301.21600	4.2
309.22318	1.8
313.21771	2.3
315.23123	2.5
333.24374	4.8
335.25830	6.2
339.22870	2.0
343.22595	2.4
351.22992	2.8
367.22400	2.9
369.24176	2.5
411.20331	2.6
413.21802	2.6
417.31223	2.7
435.32446	10.9
453.33713	4.5
471.35062	2.8
509.35989	5.8
525.35339	3.8
527.37256	100.0
528.37659	4.7
529.38293	2.6
543.35773	2.4
545.37982	4.4
561.35889	2.0
569.37793	2.8
635.39099	4.6
639.24194	8.1
653.40247	6.5
671.40997	8.6
689.42365	37.4
690.42883	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.0
54.68541	1.6
55.01860	6.3
55.05508	28.9
55.90183	1.5
57.03429	16.2
57.07064	4.5
61.02918	13.3
62.81118	1.7
65.03939	3.7
67.05499	63.7
69.03424	25.7
69.07058	21.7
69.48454	14.3
71.01368	2.0
71.04977	11.4
71.08656	2.0
73.02905	7.1
77.03941	2.2
79.05486	47.5
81.03410	71.8
81.07047	75.1
83.04974	17.2
83.08608	13.8
85.02895	20.8
85.06565	4.5
87.04430	2.4
91.03943	5.0
91.05466	49.8
92.51141	1.8
93.07030	53.2
95.04957	10.5
95.08596	40.6
97.02884	31.7
97.06527	9.0
97.10170	4.7
98.20667	3.3
99.04449	8.0
99.08086	3.3
103.32850	1.6
105.07018	44.4
107.04952	3.4
107.08568	29.6
109.02855	10.8
109.06525	4.9
109.10136	14.4
111.04440	3.8
111.08080	2.5
115.05452	4.6
117.07014	22.8
119.08572	39.4
121.06494	4.3
121.10127	23.3
123.08062	4.9
123.11679	9.8
125.09647	2.9
127.03890	16.9
128.06224	6.0
129.05473	7.4
129.06979	17.8
131.08549	35.9
133.06480	3.4
133.10110	25.5
135.04477	1.6
135.08115	3.0
135.11682	16.0
137.09673	1.9
141.06999	5.5
142.07780	3.9
143.08545	21.4
144.09320	1.8
145.06433	3.2
145.10117	28.5
147.08037	3.7
147.11650	26.9
149.09595	3.6
149.13248	10.3
151.11197	2.4
153.06914	1.7
154.07747	2.1
155.08519	16.0
156.09319	2.2
157.06490	1.9
157.10097	19.7
159.08090	2.6
159.11664	20.4
161.09633	2.2
161.13283	8.8
163.14761	2.3
165.07001	2.7
165.12738	9.7
167.08531	7.9
168.09319	4.2
169.10088	13.8
171.07843	1.8
171.11665	16.8
173.04460	13.2
173.09604	2.5
173.13242	12.8
175.14828	2.7
177.12775	3.0
179.08623	2.2
181.10126	9.0
183.08032	2.7
183.11664	14.2
185.09561	2.1
185.13234	16.4
187.14838	5.7
187.58900	1.8
189.12735	2.0
193.10144	3.8
193.12080	1.8
195.11703	9.1
195.13609	2.6
197.13245	10.3
199.14818	6.4
207.11734	2.9
209.13280	6.2
211.14856	5.6
213.16496	2.7
215.14349	2.1
221.13255	5.0
223.14810	6.0
225.16391	3.6
229.14192	2.8
237.12695	1.9
237.16425	1.8
239.17873	3.0
241.15895	2.3
241.19528	4.4
243.21005	2.7
253.19585	2.6
257.18921	2.9
259.20691	7.4
261.22141	5.0
267.15884	8.3
269.15039	1.8
269.17224	8.8
271.20401	2.8
277.21716	2.0
283.20383	2.2
285.16782	2.6
288.30969	2.2
289.21765	1.8
297.22055	3.4
301.21640	2.6
306.42114	2.2
309.22119	2.6
313.21591	2.5
325.21451	2.8
333.24246	6.9
335.25769	7.3
337.16626	2.2
339.22971	3.0
349.21625	2.3
367.22501	2.4
411.20343	3.6
413.21579	2.3
417.31409	5.6
435.32623	10.2
437.34409	2.1
453.33853	9.2
462.34879	2.1
471.34262	4.5
501.36536	2.0
503.37726	2.9
509.36313	6.6
515.37231	2.0
517.38812	3.8
525.35101	4.0
527.37238	100.0
528.37592	3.2
529.38800	4.3
539.37170	3.5
543.37347	2.0
545.38153	8.6
569.38239	3.8
581.37537	2.1
597.36584	3.1
623.38971	3.1
635.38739	5.4
653.40039	6.7
671.41260	12.6
689.42560	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.3
55.01854	5.4
55.05501	26.3
57.03423	14.8
57.07051	3.7
59.04980	1.6
59.40408	1.1
61.02917	11.4
65.03928	4.0
67.05491	57.5
68.90237	1.2
69.03416	24.1
69.06688	1.5
69.07059	24.3
70.83055	1.3
71.01334	2.3
71.04971	10.5
73.02901	8.0
73.71655	1.1
79.05479	54.1
81.03400	60.3
81.03876	3.1
81.07040	76.9
83.04960	15.6
83.08604	12.9
85.02888	17.5
85.06522	3.6
87.04444	1.5
91.03944	6.6
91.05462	52.0
92.05823	1.3
93.07026	57.9
95.04963	10.1
95.08589	41.1
97.02872	34.1
97.06488	6.7
97.10126	4.3
99.04440	6.6
99.08103	2.3
101.02332	3.0
103.05460	2.1
105.06335	2.8
105.07012	44.9
105.07720	2.4
107.04929	4.2
107.08571	31.4
109.02857	9.7
109.06502	8.1
109.10130	16.0
111.04438	3.0
111.08021	2.9
112.10768	1.3
115.05449	4.7
117.06995	20.7
119.04901	1.2
119.08562	32.7
121.06464	3.8
121.10116	24.8
123.04396	1.3
123.08031	4.4
123.11682	8.9
125.09595	3.7
127.03873	11.9
128.06219	6.2
129.05530	6.3
129.06982	19.6
130.07811	2.0
131.08534	36.7
133.06496	2.3
133.10089	22.3
135.08032	2.9
135.11676	14.2
137.09619	1.8
138.79686	1.2
141.06970	8.1
142.07738	5.0
143.08539	24.4
144.09236	1.7
145.06454	3.2
145.10083	28.9
147.08040	3.0
147.11659	23.7
149.09583	4.7
149.13210	9.6
151.11156	2.8
153.06946	2.5
154.07777	1.5
154.28670	1.2
155.08517	13.4
156.09302	3.0
157.10091	22.8
159.07991	2.7
159.11679	23.3
161.09570	2.1
161.13202	6.9
163.11134	2.4
163.14784	2.7
165.06975	1.5
165.12735	6.3
167.08504	8.1
168.09299	2.1
169.10095	16.4
171.08026	2.8
171.11658	18.9
173.04459	9.9
173.13219	13.4
175.11203	3.5
175.14816	3.0
177.12747	3.2
179.08446	2.9
181.10063	9.8
182.10876	2.2
183.11668	15.2
185.09586	3.1
185.13217	12.3
187.11182	2.5
187.14754	6.8
189.12660	1.9
193.10124	3.6
193.12042	1.2
195.11664	8.5
195.13477	2.4
197.09554	3.1
197.13181	10.4
199.06039	2.5
199.11110	2.9
199.14799	7.6
201.12672	2.2
201.16365	2.3
203.14297	2.5
205.10130	1.6
207.11691	2.8
207.13495	1.4
209.13248	7.2
211.14711	6.5
213.12816	1.9
213.16348	3.4
219.11598	1.7
221.13156	3.6
223.14847	4.2
225.16370	2.4
227.18028	1.6
235.14835	2.5
237.12773	2.1
237.16356	2.7
239.14330	1.8
239.17926	2.9
241.19463	5.0
241.72505	1.3
243.20969	3.3
249.16293	1.6
251.17737	1.3
257.18939	4.2
259.20538	8.5
261.22113	4.7
267.15857	8.1
269.15054	1.3
269.17267	7.5
271.20569	1.8
273.22122	1.8
275.20218	3.3
277.21588	1.6
283.20563	1.9
285.16992	4.2
285.21857	1.7
291.19595	1.4
297.22147	2.1
299.19946	1.8
299.23447	1.6
301.21436	3.1
309.22098	1.6
311.23636	1.7
313.21606	3.6
315.23312	1.7
323.20053	1.6
323.23636	1.8
325.21588	2.1
327.22955	3.0
329.24905	1.5
333.24438	7.4
335.25735	7.2
337.21625	1.4
339.17938	2.7
339.22916	3.2
341.24615	2.0
351.23181	2.0
353.24567	1.3
357.23981	1.4
359.96814	1.4
367.22446	2.4
369.24023	3.0
385.23557	2.6
411.19833	2.5
413.21454	3.7
417.31531	4.2
425.34744	1.5
433.30334	1.5
435.32510	13.1
437.33423	1.4
441.25885	1.4
453.33667	7.6
459.27261	1.5
471.34674	2.3
473.33719	1.8
501.35101	3.5
509.36395	7.7
515.36304	1.5
517.39020	2.8
525.34973	4.0
527.37250	100.0
528.37451	5.6
529.38531	2.7
539.36774	2.9
543.36292	1.6
545.38446	9.9
569.38293	3.5
593.38300	1.8
617.37830	1.6
635.39142	5.7
653.40527	6.4
671.41443	14.1
689.42407	40.3
690.42346	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	689.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90716	1.3
53.03933	4.0
55.01857	5.3
55.05502	17.6
57.03421	11.1
61.02915	23.0
65.03930	1.7
67.05495	24.4
69.03420	21.9
69.07058	21.6
70.06561	2.0
71.01323	2.1
71.04973	3.8
71.71098	2.8
73.02887	8.0
79.05481	23.7
81.03402	27.0
81.07040	23.1
83.04953	6.4
83.08604	10.7
85.02888	28.3
91.03940	14.0
91.05459	16.5
93.07024	17.2
95.04946	13.1
95.08592	10.8
97.02249	1.6
97.02879	27.0
97.06516	2.5
97.10156	13.6
99.04419	7.3
101.02357	3.5
103.03922	4.4
104.05348	1.3
105.07014	11.7
107.04938	8.6
107.08582	11.1
109.02859	8.9
109.06492	4.3
109.10139	5.3
111.04430	4.3
111.08043	2.7
115.03934	1.8
115.05431	1.5
117.06999	6.9
119.04945	3.6
119.08552	11.9
121.06506	5.7
121.10137	4.4
123.04417	1.8
123.08055	6.3
125.09592	9.3
127.03914	16.4
129.05492	2.3
129.06998	6.1
131.08562	7.8
133.06496	4.6
133.10135	6.7
135.08044	4.5
135.11671	2.3
137.05936	2.7
137.09573	3.6
141.05486	1.9
143.08543	4.0
145.04909	4.5
145.06500	1.6
145.10132	5.9
147.08069	7.6
147.11681	5.5
149.05965	2.0
149.09639	3.0
149.13293	1.5
151.07506	1.8
155.08472	1.7
157.10141	3.9
159.08075	1.8
159.11693	3.6
161.09555	2.7
163.11284	3.1
165.09058	1.9
169.12277	1.7
171.10178	3.0
171.11667	2.5
173.09668	2.7
173.13181	1.6
175.11171	3.4
181.68333	1.3
183.06549	3.5
187.11050	1.5
189.11229	8.0
189.12700	2.6
191.10571	1.7
193.12202	8.5
195.13942	1.4
201.07516	2.5
205.12225	3.0
211.13211	9.0
223.13206	14.2
227.12733	5.3
235.13281	2.3
245.19109	2.0
249.14769	7.5
255.17546	2.4
267.15921	4.4
273.18408	17.8
285.16953	3.2
291.19498	100.0
292.19818	2.2
301.14188	1.8
309.16815	1.8
315.19504	2.0
316.64670	1.3
347.22134	6.2
364.67340	1.6
365.23184	30.8
369.05740	1.7
389.23184	2.9
393.22937	1.9
407.24054	2.1
425.27338	1.6
429.20966	2.7
431.24121	1.6
435.23630	1.6
473.25293	2.9
491.26871	1.9
509.27225	7.7
527.28253	3.9
643.72974	1.5
689.33276	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	689.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01856	5.0
55.05502	15.3
57.03199	0.7
57.03427	8.4
59.04978	0.9
59.84487	0.7
61.02614	1.2
61.02917	22.2
61.03984	0.7
65.03938	0.8
67.05494	17.6
69.03419	20.6
69.07058	15.8
71.01331	1.5
71.04975	3.8
71.70390	0.7
73.02587	0.6
73.02911	8.2
79.05483	17.2
81.03407	21.1
81.07042	18.6
83.04971	6.4
83.08608	7.8
85.02892	28.6
85.06538	0.9
85.26031	0.8
87.04443	1.3
91.03943	13.1
91.05467	13.0
93.06493	1.2
93.07028	11.4
95.01328	1.0
95.04955	9.3
95.08590	8.6
97.02879	28.0
97.06495	2.3
97.10157	11.1
99.04452	4.8
99.08082	0.9
101.02368	3.1
103.03912	3.0
103.05473	0.8
105.07018	12.1
106.76523	0.7
107.04939	7.4
107.08575	9.0
109.02863	8.8
109.06503	2.6
109.10130	6.2
111.04452	3.1
111.08047	2.3
115.03937	1.9
115.05428	1.5
115.29668	0.6
117.06997	5.6
119.04921	0.7
119.08577	10.0
121.06481	2.8
121.10125	5.1
123.04411	2.2
123.08057	3.7
123.11669	1.2
125.09598	9.2
127.03904	12.8
128.06223	1.1
129.05461	3.3
129.06953	3.3
131.04874	0.8
131.08548	6.8
133.06526	3.2
133.10097	5.3
135.08034	3.8
135.11661	2.2
137.05988	0.7
137.09552	1.2
141.06895	0.9
143.08559	2.0
145.04950	5.1
145.06464	1.7
145.10124	4.4
147.08015	5.1
147.11690	3.6
149.06039	1.1
149.09561	2.1
149.13213	1.9
151.07532	1.6
151.11171	1.6
153.09021	1.0
155.07016	1.0
155.08430	1.3
157.10124	4.1
159.06631	0.7
159.08006	1.4
159.11656	1.9
161.09593	2.8
162.10451	0.7
163.06003	0.9
163.11165	2.3
165.05461	1.0
165.09096	1.2
168.42912	0.7
169.12251	1.0
171.10201	1.5
171.11668	1.7
173.04466	0.7
173.09622	0.8
175.11142	2.7
177.09055	0.8
177.12737	1.1
179.10646	1.3
183.06519	3.3
183.11668	1.1
187.14772	1.0
189.11194	6.8
189.12718	0.8
191.10651	0.8
193.12172	5.6
201.07593	1.9
205.12248	1.3
209.11583	0.8
211.13251	6.1
223.11276	1.2
223.13266	12.5
225.11284	0.7
227.12752	5.1
227.17929	1.1
228.13127	0.8
233.15318	0.7
235.13208	2.1
245.13850	1.8
245.19012	1.4
247.13173	0.7
249.14894	3.9
253.14212	1.1
255.17479	1.1
263.20200	1.2
267.15875	1.6
269.13846	0.8
273.18451	12.4
277.14313	0.9
285.16812	1.8
291.19495	100.0
292.19800	1.6
301.14282	1.1
309.16937	1.3
309.20398	1.4
319.15305	1.0
347.22086	6.5
355.17429	0.8
365.23172	29.9
371.16248	0.6
389.22968	0.7
393.18704	1.1
393.23068	0.9
407.24283	0.7
411.20102	1.3
429.20917	2.3
473.25323	2.4
491.26428	1.9
509.27328	5.4
527.28265	4.8
683.78314	0.7
689.33649	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	689.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.4
51.02364	0.9
53.03935	3.9
60.45591	0.2
61.02905	0.3
61.21899	0.2
64.29208	0.2
69.03414	1.4
70.06580	0.2
71.37619	0.4
73.46119	0.2
77.03908	0.9
78.16824	0.2
79.05453	0.3
81.03410	1.0
85.02892	0.6
86.09702	0.2
90.61387	0.2
95.04951	8.4
96.05311	0.2
97.02854	0.3
104.94846	0.2
105.03374	100.0
106.03707	1.5
107.01286	0.2
109.02869	0.5
121.02874	0.8
123.04377	0.4
127.03896	1.2
145.04898	0.2
153.01782	0.2
155.04929	0.7
171.04245	0.2
173.05968	0.2
183.04378	0.8
187.03891	0.3
189.05382	1.0
201.05421	0.9
205.60509	0.2
211.03864	3.1
219.02823	0.3
221.05896	0.2
225.05467	0.6
229.04878	2.4
229.35614	0.2
229.59607	0.2
231.06474	0.4
239.03300	0.5
243.02933	0.2
249.07579	0.5
253.05038	0.3
256.03656	0.7
257.04410	28.6
258.04767	0.9
260.03021	0.2
261.03882	4.3
263.01941	0.3
267.02814	1.6
267.08600	7.6
267.11417	0.4
268.09183	0.2
271.05984	1.3
273.03891	8.7
281.04346	0.3
285.03885	75.8
286.04196	2.5
287.01837	0.5
287.05029	0.3
295.06021	0.3
295.10724	0.2
297.03873	1.3
299.02164	0.3
299.05414	4.1
300.05820	0.2
301.03238	0.4
303.04974	1.4
311.05484	0.5
313.07040	0.6
315.05301	0.2
323.05350	0.6
325.03409	0.2
327.04968	6.4
328.05112	0.2
339.04916	2.2
341.06628	0.3
351.05042	1.0
357.05948	0.8
361.07166	0.3
369.05972	2.7
379.07858	0.3
387.07059	2.0
405.08148	3.7
407.07550	16.3
408.07944	0.8
416.37775	0.2
447.09100	0.5
491.09207	0.2
509.10883	1.0
527.11743	10.8
528.11877	0.3
569.12390	0.7
667.47809	0.2
675.13434	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	687.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01868	13.6
55.05499	24.1
57.03427	5.1
65.03931	3.3
66.52528	1.3
67.05496	58.7
69.03416	11.8
69.07056	29.6
71.04978	5.9
71.71609	1.7
77.03926	1.3
79.05483	54.5
81.03407	40.9
81.07044	100.0
82.07369	1.6
83.04964	12.6
83.08614	12.4
85.02896	6.8
85.06479	2.9
91.05463	61.3
93.07030	47.8
95.01299	7.0
95.04952	15.5
95.08593	36.4
97.02888	9.6
97.06510	28.4
97.10163	3.6
99.04443	4.0
99.08100	3.1
105.07013	63.7
107.04937	17.5
107.08577	24.2
109.02856	5.3
109.06503	19.3
109.07191	1.4
109.10146	11.5
111.04445	4.4
111.08076	5.1
115.05424	1.5
115.95815	1.3
117.06995	20.0
119.08559	37.7
121.06498	4.7
121.10134	17.5
123.08024	3.4
123.11713	6.1
125.09642	1.8
127.03910	4.7
127.07511	1.8
128.06233	1.9
129.06976	6.6
131.08546	22.8
133.10110	33.7
135.08072	6.0
135.11670	10.1
137.09572	2.1
139.07558	2.5
141.06955	3.9
142.07802	1.7
143.08578	6.9
145.06473	4.2
145.10095	17.1
147.08089	2.8
147.11667	18.9
149.06004	1.4
149.09613	7.8
149.13239	12.2
151.11218	2.3
155.08562	3.3
157.10060	6.7
159.08022	1.8
159.11646	15.2
161.09622	1.7
161.13248	7.5
163.11150	5.0
165.09126	2.0
165.12717	2.7
167.08443	1.7
169.10092	3.4
171.11714	5.0
173.13316	5.6
175.11209	3.2
175.14816	1.7
177.12770	5.3
179.14275	15.5
183.11713	4.3
185.13278	2.0
187.11194	2.9
193.12325	4.5
195.11873	1.7
195.13757	2.2
197.13275	4.4
201.12814	1.4
205.12135	2.0
211.13225	1.6
213.12790	1.7
225.12732	2.1
229.19487	2.8
239.18040	4.3
247.20580	4.8
257.18875	9.4
267.16141	1.6
269.17618	3.0
275.20023	86.7
293.21158	4.6
321.17084	2.3
339.17935	9.0
349.23724	9.7
395.20609	12.3
426.73462	1.5
500.58438	1.7
501.35873	1.7
543.36774	6.7
651.38934	1.8
669.39917	2.2
687.40918	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	687.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01868	13.6
55.05499	24.1
57.03427	5.1
65.03931	3.3
66.52528	1.3
67.05496	58.7
69.03416	11.8
69.07056	29.6
71.04978	5.9
71.71609	1.7
77.03926	1.3
79.05483	54.5
81.03407	40.9
81.07044	100.0
82.07369	1.6
83.04964	12.6
83.08614	12.4
85.02896	6.8
85.06479	2.9
91.05463	61.3
93.07030	47.8
95.01299	7.0
95.04952	15.5
95.08593	36.4
97.02888	9.6
97.06510	28.4
97.10163	3.6
99.04443	4.0
99.08100	3.1
105.07013	63.7
107.04937	17.5
107.08577	24.2
109.02856	5.3
109.06503	19.3
109.07191	1.4
109.10146	11.5
111.04445	4.4
111.08076	5.1
115.05424	1.5
115.95815	1.3
117.06995	20.0
119.08559	37.7
121.06498	4.7
121.10134	17.5
123.08024	3.4
123.11713	6.1
125.09642	1.8
127.03910	4.7
127.07511	1.8
128.06233	1.9
129.06976	6.6
131.08546	22.8
133.10110	33.7
135.08072	6.0
135.11670	10.1
137.09572	2.1
139.07558	2.5
141.06955	3.9
142.07802	1.7
143.08578	6.9
145.06473	4.2
145.10095	17.1
147.08089	2.8
147.11667	18.9
149.06004	1.4
149.09613	7.8
149.13239	12.2
151.11218	2.3
155.08562	3.3
157.10060	6.7
159.08022	1.8
159.11646	15.2
161.09622	1.7
161.13248	7.5
163.11150	5.0
165.09126	2.0
165.12717	2.7
167.08443	1.7
169.10092	3.4
171.11714	5.0
173.13316	5.6
175.11209	3.2
175.14816	1.7
177.12770	5.3
179.14275	15.5
183.11713	4.3
185.13278	2.0
187.11194	2.9
193.12325	4.5
195.11873	1.7
195.13757	2.2
197.13275	4.4
201.12814	1.4
205.12135	2.0
211.13225	1.6
213.12790	1.7
225.12732	2.1
229.19487	2.8
239.18040	4.3
247.20580	4.8
257.18875	9.4
267.16141	1.6
269.17618	3.0
275.20023	86.7
293.21158	4.6
321.17084	2.3
339.17935	9.0
349.23724	9.7
395.20609	12.3
426.73462	1.5
500.58438	1.7
501.35873	1.7
543.36774	6.7
651.38934	1.8
669.39917	2.2
687.40918	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	686.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01865	1.2
55.05501	12.2
57.03151	1.1
57.03423	14.3
57.07063	2.8
59.04982	3.5
60.36110	0.5
61.02905	4.4
65.03925	3.0
67.05489	100.0
68.05811	0.7
69.03417	1.9
69.07056	8.1
69.40035	3.9
69.40455	2.0
71.04986	4.0
71.08610	1.1
72.30659	0.5
72.90860	0.5
73.02893	1.2
79.05477	21.4
81.03400	1.0
81.07038	41.2
83.04984	0.8
83.08599	9.1
84.99781	0.6
85.02879	4.6
85.06546	3.4
91.03929	1.6
91.05010	0.4
91.05460	17.9
93.07024	31.2
95.04954	2.3
95.08585	28.3
97.02878	2.9
97.06506	1.2
97.10147	2.8
99.08054	1.1
105.04498	0.9
105.07007	8.3
107.08573	16.9
109.06501	1.4
109.10130	81.3
110.10490	1.6
111.08041	3.0
117.07001	3.0
119.08553	12.6
121.10120	13.2
123.08042	0.8
123.11684	4.1
125.09615	2.0
127.03930	0.7
127.11124	1.0
131.08533	5.5
133.10069	4.4
135.08031	0.8
135.11650	9.5
137.09579	4.0
137.13210	1.6
145.10069	4.0
147.11636	4.6
149.13217	4.4
155.10651	4.1
159.11725	3.3
161.13202	3.5
162.91394	0.6
163.14781	3.2
173.11723	23.5
173.13231	3.8
175.14807	1.7
177.16379	0.9
187.14790	1.5
189.11186	0.7
210.85097	0.7
227.12732	3.1
229.14302	90.0
230.14658	1.3
243.21078	5.6
261.22086	17.3
317.24759	3.9
335.25732	76.1
336.25980	2.2
379.29907	1.1
389.16580	0.7
397.30817	0.8
415.32101	0.9
489.35657	56.4
490.35870	2.4
507.36340	3.2
632.77460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05562	0.2
53.03931	0.9
55.01847	0.8
55.05479	0.5
57.03418	0.4
59.04960	0.3
60.04533	0.2
61.02904	0.7
65.03917	0.4
67.05470	1.3
69.03421	1.4
69.07038	0.4
69.52798	0.8
69.53222	1.6
70.06561	0.7
71.04965	0.3
73.02873	0.2
78.04700	1.8
79.05476	4.4
80.63242	0.2
81.03387	0.9
81.07036	1.7
82.69250	0.2
83.01278	0.2
83.04943	0.3
83.08580	0.5
84.08138	0.3
85.02892	4.8
91.05453	3.4
93.07020	1.8
95.04948	1.4
95.08578	1.2
97.02880	1.6
97.10164	0.5
98.20741	0.5
98.46262	0.2
99.04451	0.3
102.52052	0.3
103.05444	4.3
104.41188	0.3
105.07002	4.6
106.04148	0.9
107.04937	7.1
107.08544	0.4
108.05743	0.4
109.02844	0.6
109.06470	1.1
109.10105	0.5
115.03987	0.2
115.05440	2.5
117.06999	3.1
119.04905	0.8
119.08545	0.5
120.05659	0.4
121.02928	0.3
121.06480	5.1
121.10088	0.3
122.03636	0.6
123.04397	5.4
123.08046	1.5
124.05183	3.4
125.05965	1.2
127.03858	0.8
128.06152	0.7
129.06984	1.9
130.07777	0.3
131.03952	0.4
131.04906	7.5
131.08560	1.2
132.05710	0.5
133.06468	4.3
134.03587	0.5
135.08005	0.8
136.05162	1.0
137.02335	0.3
137.05945	6.6
137.09489	0.3
138.06703	0.7
139.07474	0.5
141.06958	1.5
143.04910	1.0
143.05995	0.4
143.08534	0.8
144.05647	1.4
145.04861	0.3
145.05249	0.4
145.06462	6.3
145.10042	1.4
147.04369	1.0
147.07967	0.6
149.05957	2.0
150.06688	0.4
151.03893	1.7
151.07509	11.4
152.04646	1.8
153.05365	0.5
155.06013	0.7
155.08492	0.6
156.05669	1.3
157.06476	0.9
158.07242	2.9
159.07994	1.9
160.05162	0.5
161.05952	4.7
162.07642	0.5
163.07506	13.5
164.07913	0.4
165.05453	0.4
165.09091	0.7
166.06277	0.5
167.07002	100.0
168.04112	0.4
168.07333	2.3
169.06410	0.8
171.08064	0.6
172.05127	1.5
172.08800	0.9
173.05956	4.7
173.09584	3.1
174.06384	0.3
175.07527	2.5
177.05444	0.7
177.09041	1.1
179.07011	1.7
179.62335	0.3
180.08716	1.3
181.05013	0.4
181.08557	12.7
182.08971	0.3
186.06700	1.1
187.07501	8.6
189.09027	0.8
191.06990	0.6
193.08568	16.9
194.08948	0.6
199.07484	0.3
201.09077	5.2
202.06204	0.9
202.07872	0.6
203.06873	0.5
203.08530	1.7
204.07788	0.7
205.08545	3.5
207.10092	0.8
217.08524	3.5
217.10266	0.4
218.09189	0.7
219.08038	0.6
219.10110	8.4
220.08754	1.0
221.09610	0.4
221.11674	0.5
231.08023	2.2
231.09975	0.4
232.08720	0.5
233.11674	15.2
234.12198	0.4
235.11229	1.2
237.09071	0.4
245.09608	1.0
248.08272	1.4
249.09006	0.5
252.11600	0.4
253.21501	0.6
259.07501	0.9
260.08340	0.4
261.09149	0.5
262.09750	0.4
263.10645	3.2
264.11200	0.4
265.08609	0.7
271.22656	0.5
273.03903	0.4
273.08798	0.4
276.07709	0.6
277.08588	0.3
280.10919	0.8
285.03934	0.6
290.09314	0.7
291.10117	3.4
292.11176	0.4
293.08264	0.4
295.13196	2.9
299.05322	0.4
305.11810	0.8
308.10431	0.8
323.12708	8.1
324.13193	0.5
327.15909	0.3
337.14209	0.7
340.12949	0.8
355.15323	31.3
356.15662	1.7
372.15637	0.4
385.16360	0.4
387.17941	30.8
388.18341	1.7
405.19040	2.5
447.20071	2.9
507.22302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
53.40638	0.7
55.01859	1.5
55.05499	7.8
56.47926	0.7
57.03414	3.1
65.03918	1.2
67.05141	1.7
67.05494	26.1
69.03425	1.6
69.07061	6.1
71.04964	1.6
74.51802	0.7
79.05480	39.6
81.03409	5.7
81.07040	22.5
82.07375	0.8
83.04969	6.9
83.08611	3.7
85.06505	1.1
91.05453	30.7
93.07029	40.1
94.07313	0.8
95.04949	14.1
95.08585	11.9
97.02863	1.1
97.06528	3.2
97.10139	2.5
105.04567	0.8
105.07017	25.5
107.04900	3.9
107.08559	9.7
109.06532	3.7
109.10126	3.1
117.07012	5.3
119.08562	15.2
121.06458	1.9
121.10115	4.2
123.08047	3.9
127.07469	1.0
128.06200	2.2
129.06995	11.3
131.08534	2.3
133.06488	1.0
133.10109	7.6
134.16084	0.8
135.11674	1.4
143.08517	5.9
145.10118	6.5
147.08041	1.6
147.11664	23.5
157.10081	1.1
161.09595	2.9
161.13232	6.8
163.11205	1.7
168.48877	0.8
171.11650	16.4
177.12660	1.3
189.12662	7.0
207.13762	19.0
207.15630	1.2
225.14778	3.7
263.16260	0.9
275.20041	0.9
281.17429	47.4
282.17810	1.0
359.02606	1.0
469.29315	1.7
487.30487	100.0
488.30750	6.8
549.32031	0.8
556.02875	0.9
684.47693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05850	0.4
55.01858	1.7
56.25096	0.4
56.54496	0.4
57.03425	1.7
58.06588	1.0
61.02900	0.6
68.05020	14.1
69.03413	1.0
69.07069	0.9
69.46513	3.9
70.06581	100.0
71.01318	0.4
71.06921	0.6
72.08136	1.0
73.02904	1.9
73.33015	0.4
78.91980	0.4
81.03419	0.6
84.08139	1.0
85.02870	2.0
86.06054	62.5
86.09691	9.5
87.06409	0.5
88.08049	0.4
96.04478	2.6
97.02899	1.1
98.06027	1.0
100.07593	1.2
110.07186	0.6
112.07572	2.6
113.07125	1.0
114.05516	4.5
114.09165	0.5
115.03916	1.9
119.86958	0.4
126.05494	0.5
128.07060	6.2
132.10228	2.1
133.04964	1.2
136.07541	0.7
137.05981	0.7
142.04970	2.8
161.05931	0.5
166.08612	0.6
168.36092	0.4
177.93854	0.4
181.13374	1.4
183.11255	2.2
183.14888	12.8
199.14404	6.6
199.18097	0.4
202.10687	0.8
211.10898	2.1
211.14392	7.5
218.10191	0.9
227.13919	1.6
229.11816	0.6
245.14935	67.5
246.15234	2.5
279.16843	0.7
283.09921	0.5
287.16040	4.2
308.19724	2.7
341.17004	1.6
342.20193	53.0
343.15118	0.5
343.20459	1.8
355.92395	0.5
377.19131	13.0
378.19144	0.5
398.09357	0.4
455.28326	1.2
474.24414	81.1
475.24567	3.9
552.33881	9.6
553.34375	0.6
684.38037	5.1
685.37231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.9
53.03933	6.2
55.01864	7.7
55.05503	36.8
57.03204	2.0
57.03431	22.7
57.07060	3.7
59.38403	1.5
61.02905	2.1
62.75026	1.3
65.03934	7.9
67.05495	100.0
69.03419	4.8
69.07058	27.7
70.85452	1.5
71.04980	4.1
71.70441	2.6
75.04465	7.0
79.05482	73.4
80.06268	2.0
81.03408	5.7
81.07043	93.5
83.04957	6.3
83.08614	21.1
85.02900	3.4
85.06525	5.2
91.05460	70.8
93.07030	79.6
94.07352	1.8
95.04964	11.5
95.08590	72.7
97.02878	4.4
97.06523	8.4
97.10156	10.6
97.13174	1.4
99.08115	2.5
103.05463	2.6
105.04462	2.4
105.07014	66.8
106.07333	1.8
107.04933	4.4
107.08573	50.5
109.06505	5.7
109.10134	39.8
109.10879	2.6
111.08078	4.3
113.05975	2.7
113.09604	1.7
115.05474	5.1
117.07006	35.0
119.08560	59.6
121.10122	33.2
123.08048	4.3
123.11667	9.6
125.09608	6.7
127.07598	1.4
128.06223	6.4
129.05472	2.1
129.06981	30.8
130.07744	2.7
131.07028	4.0
131.08543	44.1
133.10104	43.5
135.08093	3.0
135.11664	25.0
137.09593	3.9
137.13277	1.7
139.11172	2.6
141.06961	12.9
142.07774	9.5
143.08534	36.1
144.09380	1.6
145.06471	2.2
145.10104	45.9
147.11655	31.7
149.09589	6.9
149.13274	15.2
151.11189	2.9
153.06934	2.5
153.12790	1.7
154.07704	2.6
155.08525	23.6
156.09306	3.7
157.10101	35.9
159.11661	34.4
161.09657	1.7
161.13228	17.1
163.11160	3.2
163.14815	4.2
165.06987	2.8
165.15256	1.6
167.08574	9.5
169.10091	27.8
171.11656	32.6
171.13055	2.5
173.11713	3.7
173.13211	24.8
175.14787	9.3
177.12737	2.7
177.16406	2.2
179.08568	4.3
181.10069	12.9
182.10881	1.6
183.11682	25.8
185.09717	1.8
185.13206	21.7
187.14781	12.1
189.11195	2.1
189.12769	2.6
189.16382	3.5
191.14252	2.4
193.10054	2.3
193.15764	1.9
195.11679	15.7
197.13216	20.6
199.14760	15.1
201.16409	5.6
207.11723	4.5
207.13774	1.5
209.13191	12.4
211.14882	10.5
213.16318	8.4
215.18024	4.7
219.17491	2.0
221.13292	4.7
223.14738	9.2
225.16266	10.4
227.12790	4.3
227.17987	6.6
229.14297	8.9
229.19435	2.6
231.17465	2.2
231.21136	2.2
235.14813	4.5
237.16438	5.9
239.17958	9.1
241.19565	9.1
242.56209	1.6
251.17950	4.4
257.18979	2.5
259.20554	15.8
261.18655	2.0
261.22046	1.7
263.17868	2.3
275.19986	7.8
277.21628	4.5
281.18948	2.2
283.20572	3.1
297.22122	1.9
309.22311	1.6
311.23709	2.1
313.21667	2.7
315.23236	3.2
321.21909	3.1
323.23654	3.1
325.25299	2.0
333.24225	27.4
335.23685	3.0
337.25259	4.1
349.24146	5.0
351.25760	7.9
365.28235	2.8
369.27606	1.7
377.28217	2.1
393.31802	1.7
405.31509	2.1
409.30588	1.7
425.30612	2.9
429.30588	3.4
431.32379	1.8
435.33307	1.7
447.32669	5.8
449.34274	3.0
453.33725	1.7
465.33896	2.0
503.33768	3.5
517.40479	21.3
521.35522	3.4
535.41650	9.3
573.42572	3.4
591.44025	23.9
609.45105	14.7
627.45892	2.3
665.47833	6.8
683.38501	3.3
683.48633	74.2
684.48969	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01868	5.9
55.05504	37.0
57.03426	24.1
57.07050	3.1
61.02911	6.0
65.03925	8.0
67.05135	4.9
67.05495	94.9
68.05838	2.9
69.03417	5.3
69.07059	31.0
71.04984	4.0
71.71604	4.5
73.02897	3.8
73.06537	2.2
73.64683	1.9
75.04468	9.3
77.48933	1.8
79.05484	77.9
81.03419	5.8
81.07046	100.0
83.04961	6.5
83.08614	17.9
85.02910	2.7
85.06503	3.6
86.19164	2.5
87.04443	2.7
91.03909	2.1
91.05466	75.1
93.07027	80.1
95.04957	15.2
95.08591	69.3
97.02891	3.7
97.06516	9.9
97.07086	2.3
97.10146	10.4
99.08077	3.1
101.02379	2.3
103.05451	2.5
105.07019	68.6
107.08583	52.7
109.06511	6.5
109.10138	32.8
111.04514	2.5
111.08077	5.1
115.05457	6.1
117.07001	34.8
118.61485	2.5
119.08562	60.4
121.02795	2.6
121.06521	4.5
121.10117	31.4
123.08063	4.8
123.11716	8.2
125.09610	5.7
128.06229	9.8
129.05495	2.9
129.06995	32.3
130.07729	4.1
130.60481	2.1
131.07030	5.1
131.08551	53.5
133.06418	2.7
133.10098	37.4
135.08069	3.6
135.11671	19.0
137.09596	4.6
137.13228	4.7
138.09119	2.6
141.06944	14.5
142.07811	5.6
143.08537	41.3
143.09605	2.3
145.10103	51.7
147.08063	2.3
147.11652	23.8
149.09612	4.9
149.13258	11.3
151.11218	3.3
153.06982	2.4
154.07736	5.3
155.08527	31.8
157.10104	38.4
159.11674	37.3
161.09535	2.3
161.13211	16.9
163.11198	3.6
163.14796	3.3
165.06995	3.7
167.08537	9.9
168.09346	5.7
169.10098	40.5
171.11664	31.9
173.13234	19.9
175.11107	2.8
175.14839	8.9
179.08595	4.4
181.10106	15.8
182.10904	2.5
183.11687	35.5
185.13219	25.0
185.14565	2.5
187.14813	10.2
189.16385	5.6
193.10167	7.1
195.11647	18.5
196.12418	3.1
197.13200	24.3
199.14781	16.4
201.16400	4.5
207.11726	8.0
208.12581	2.6
209.13235	19.2
211.14870	18.8
213.16423	8.9
215.17966	2.5
217.87910	2.3
221.13184	3.9
223.14838	12.7
225.16420	8.8
227.18031	6.6
231.17462	2.5
235.14865	4.6
237.16396	7.8
239.17940	8.1
241.19554	7.0
247.14842	3.0
249.16434	3.9
251.17995	5.7
253.19530	3.4
257.19034	2.5
259.20667	12.8
263.17929	3.1
265.19626	4.6
267.21243	2.8
277.19565	3.9
278.17725	2.1
281.19003	2.3
283.20441	2.5
285.22159	5.2
292.20001	2.1
295.20813	3.0
297.22073	4.0
309.21997	3.4
321.21869	3.2
323.23663	4.4
333.24323	7.8
335.23724	5.7
337.25238	5.4
341.24765	2.7
351.26614	4.1
363.26697	4.4
365.28357	4.3
377.27576	2.7
391.29901	3.3
393.31738	3.3
411.27151	3.2
429.28778	6.7
447.32748	7.3
449.33899	2.4
461.33777	3.1
499.39621	6.1
503.32227	3.3
517.40417	37.8
520.32733	9.1
521.32965	40.4
535.41260	14.9
573.43170	4.6
577.37872	2.2
591.44067	34.0
609.44891	16.8
613.41223	2.3
627.45703	4.9
629.35858	3.2
647.36548	3.5
647.46960	2.8
665.37366	3.5
665.47302	11.4
683.38403	4.9
683.48700	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.2
53.03936	0.2
55.01868	0.3
55.05504	0.4
57.03423	0.3
61.02929	0.3
65.03926	1.0
67.05487	0.5
68.99775	0.3
69.03425	1.7
69.56780	1.6
70.06567	0.2
72.08179	0.2
74.32365	0.2
79.05484	0.5
81.03412	1.4
81.07024	0.3
83.01324	0.2
83.04969	0.8
85.02895	1.8
87.00819	0.5
91.05475	0.5
93.07021	0.4
95.04958	0.5
95.08589	0.3
96.04478	0.2
97.02875	100.0
98.03212	0.7
98.21428	0.3
99.04465	0.3
103.03926	0.4
103.05485	0.2
105.01856	0.4
105.07008	0.4
107.04919	0.2
107.08579	0.2
109.02863	1.2
109.10169	0.3
111.04429	1.5
114.05518	0.7
115.03948	0.2
121.02845	31.2
122.03179	0.4
123.04412	0.4
125.02381	0.3
127.03876	1.2
129.01810	0.2
129.05455	0.4
131.04858	0.3
133.02831	0.4
135.04399	0.4
137.02362	0.2
137.05945	0.3
139.03905	0.8
147.02885	0.2
147.04437	0.2
149.05945	0.3
149.09688	0.2
151.03893	2.3
153.05487	0.3
157.62094	0.2
161.06013	0.2
165.01793	0.2
167.07008	0.2
177.05449	0.5
181.04854	0.5
183.02905	0.3
189.03897	1.1
199.05963	0.4
205.04871	0.6
210.14832	0.2
211.05850	0.2
213.03880	0.3
213.54074	0.2
215.05498	0.4
217.04933	8.3
223.05937	0.7
230.15326	0.4
231.04944	0.2
235.05980	2.5
241.06992	0.6
253.06996	3.7
270.09689	0.2
292.19104	0.8
309.06052	0.4
327.06989	0.7
345.08072	1.8
361.09024	0.3
465.10117	0.5
483.11465	1.1
495.54306	0.2
501.12012	0.7
544.15466	0.3
681.52612	0.2
682.37909	1.7
692.36273	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	682.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.2
53.03936	0.2
55.01868	0.3
55.05504	0.4
57.03423	0.3
61.02929	0.3
65.03926	1.0
67.05487	0.5
68.99775	0.3
69.03425	1.7
69.56780	1.6
70.06567	0.2
72.08179	0.2
74.32365	0.2
79.05484	0.5
81.03412	1.4
81.07024	0.3
83.01324	0.2
83.04969	0.8
85.02895	1.8
87.00819	0.5
91.05475	0.5
93.07021	0.4
95.04958	0.5
95.08589	0.3
96.04478	0.2
97.02875	100.0
98.03212	0.7
98.21428	0.3
99.04465	0.3
103.03926	0.4
103.05485	0.2
105.01856	0.4
105.07008	0.4
107.04919	0.2
107.08579	0.2
109.02863	1.2
109.10169	0.3
111.04429	1.5
114.05518	0.7
115.03948	0.2
121.02845	31.2
122.03179	0.4
123.04412	0.4
125.02381	0.3
127.03876	1.2
129.01810	0.2
129.05455	0.4
131.04858	0.3
133.02831	0.4
135.04399	0.4
137.02362	0.2
137.05945	0.3
139.03905	0.8
147.02885	0.2
147.04437	0.2
149.05945	0.3
149.09688	0.2
151.03893	2.3
153.05487	0.3
157.62094	0.2
161.06013	0.2
165.01793	0.2
167.07008	0.2
177.05449	0.5
181.04854	0.5
183.02905	0.3
189.03897	1.1
199.05963	0.4
205.04871	0.6
210.14832	0.2
211.05850	0.2
213.03880	0.3
213.54074	0.2
215.05498	0.4
217.04933	8.3
223.05937	0.7
230.15326	0.4
231.04944	0.2
235.05980	2.5
241.06992	0.6
253.06996	3.7
270.09689	0.2
292.19104	0.8
309.06052	0.4
327.06989	0.7
345.08072	1.8
361.09024	0.3
465.10117	0.5
483.11465	1.1
495.54306	0.2
501.12012	0.7
544.15466	0.3
681.52612	0.2
682.37909	1.7
692.36273	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	680.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01291	1.3
51.92161	1.4
53.03941	2.3
55.01851	4.9
55.05507	21.7
57.03426	4.4
58.20218	1.4
61.02917	3.4
67.05499	24.2
69.03409	4.1
69.07050	11.0
70.06603	1.5
71.04981	2.1
71.10219	3.1
71.10590	1.6
79.05486	20.6
81.03409	5.2
81.06601	2.3
81.07047	29.7
83.04967	4.9
83.08609	24.8
85.02879	4.6
85.06517	1.5
86.80798	1.4
91.05476	25.5
93.07032	25.6
95.04957	23.5
95.08599	18.0
97.02892	3.4
97.06516	6.3
97.10157	4.9
99.08048	1.5
105.07022	26.2
107.04948	12.3
107.08579	17.7
109.06499	4.9
109.10155	13.0
111.08044	6.0
117.07005	9.2
119.08570	22.1
121.06451	10.3
121.10117	13.5
123.08038	3.9
123.11678	3.1
125.09633	4.1
129.06995	4.2
131.08549	14.6
133.06458	2.8
133.10107	19.7
135.08049	7.2
135.11685	8.4
137.09578	4.3
141.06984	2.2
143.08565	4.2
145.06480	1.4
145.10092	19.8
147.08028	2.8
147.11687	10.9
149.09595	19.7
151.11128	2.9
155.08536	2.7
157.10117	5.5
159.11667	10.4
161.09592	2.6
161.13263	3.1
163.11148	19.6
164.92732	1.4
165.12727	3.3
169.10135	3.4
171.11678	3.1
173.09515	2.2
173.13281	3.8
175.11166	2.2
175.14877	2.2
177.12772	3.1
181.21980	1.6
183.11656	3.0
187.11143	2.2
189.11230	1.9
189.12918	1.4
191.10689	2.0
191.14198	2.2
201.12790	1.4
205.12186	6.1
227.12770	4.1
229.19447	2.9
239.18016	6.7
244.17813	1.3
245.13844	2.2
247.20613	2.1
257.18912	11.7
261.84271	1.3
275.20029	82.8
276.20334	4.7
279.15897	1.5
293.21017	8.7
297.16968	7.8
349.23679	100.0
350.23950	7.0
351.12466	1.6
367.24762	35.6
368.25089	2.2
394.19812	1.4
483.25775	42.7
484.26227	2.7
488.10263	1.6
647.79999	1.7
680.33221	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	680.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01870	4.3
55.05500	11.0
56.91020	0.8
57.03432	4.8
57.07043	1.6
61.02908	3.2
65.03918	2.1
67.05138	1.6
67.05493	32.0
69.03400	3.4
69.07058	14.8
70.06575	1.0
70.47748	3.0
70.48119	1.5
71.01318	1.2
71.04970	2.5
77.03921	0.7
77.23139	0.9
79.05016	1.5
79.05480	28.9
80.05786	0.7
81.03404	5.2
81.07043	93.3
81.51417	0.8
82.07378	1.2
83.04977	5.6
83.08610	13.7
85.02882	3.3
85.06516	2.1
89.02363	1.1
91.03941	1.1
91.05464	25.0
93.07031	25.2
95.04945	9.7
95.08591	21.1
97.02867	2.0
97.06502	6.9
97.10156	1.8
97.37112	0.7
99.00789	1.3
99.08061	3.3
105.07010	29.9
107.04942	11.3
107.08573	18.7
107.09227	0.5
108.74270	0.7
109.02857	0.9
109.06499	32.4
109.10144	10.6
111.08067	5.6
115.05397	1.6
117.07007	8.3
119.08556	24.3
121.06495	5.0
121.10120	13.8
123.08049	7.6
123.11687	7.2
125.09612	2.4
127.07533	1.3
129.06982	2.9
131.08549	12.6
133.06494	0.9
133.10106	20.4
135.08034	6.5
135.11659	8.0
137.06003	0.8
137.09604	3.8
141.06956	1.0
142.07727	1.0
143.08525	3.1
145.06459	1.0
145.10112	13.0
147.08063	2.5
147.11662	22.4
149.09608	10.4
149.13261	8.0
151.11134	3.7
155.08565	1.9
157.10098	5.4
159.08063	1.1
159.11644	9.9
161.09650	2.3
161.13245	3.7
163.11160	7.7
163.14819	2.1
165.12726	8.8
167.14366	1.0
169.10121	1.8
171.11659	3.0
173.09593	1.2
173.13258	4.5
175.11150	5.8
175.14740	1.2
177.12727	2.9
183.11647	2.4
185.13231	1.4
187.11237	1.2
187.14807	1.2
189.12779	1.1
189.16299	1.2
191.05321	1.0
191.10750	1.1
191.14227	1.9
193.12219	4.2
195.13824	1.2
196.59908	0.8
197.13148	1.9
199.14763	1.2
201.12750	1.8
205.12155	1.0
207.13875	1.1
215.17886	1.4
215.45345	0.7
219.13864	0.9
227.12802	0.8
229.14261	1.7
229.19524	2.5
239.18004	1.5
247.20580	4.5
255.49393	0.8
257.18973	7.2
258.19135	0.9
267.15771	1.2
274.65085	0.9
275.20007	86.2
276.20355	2.5
293.21066	23.4
311.22189	1.5
349.23672	81.9
350.24179	4.2
361.36072	0.8
363.21573	8.8
367.24789	10.4
391.21191	3.1
409.22247	11.6
465.24539	5.3
483.25830	100.0
484.26297	4.7
680.33093	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	680.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01291	1.3
51.92161	1.4
53.03941	2.3
55.01851	4.9
55.05507	21.7
57.03426	4.4
58.20218	1.4
61.02917	3.4
67.05499	24.2
69.03409	4.1
69.07050	11.0
70.06603	1.5
71.04981	2.1
71.10219	3.1
71.10590	1.6
79.05486	20.6
81.03409	5.2
81.06601	2.3
81.07047	29.7
83.04967	4.9
83.08609	24.8
85.02879	4.6
85.06517	1.5
86.80798	1.4
91.05476	25.5
93.07032	25.6
95.04957	23.5
95.08599	18.0
97.02892	3.4
97.06516	6.3
97.10157	4.9
99.08048	1.5
105.07022	26.2
107.04948	12.3
107.08579	17.7
109.06499	4.9
109.10155	13.0
111.08044	6.0
117.07005	9.2
119.08570	22.1
121.06451	10.3
121.10117	13.5
123.08038	3.9
123.11678	3.1
125.09633	4.1
129.06995	4.2
131.08549	14.6
133.06458	2.8
133.10107	19.7
135.08049	7.2
135.11685	8.4
137.09578	4.3
141.06984	2.2
143.08565	4.2
145.06480	1.4
145.10092	19.8
147.08028	2.8
147.11687	10.9
149.09595	19.7
151.11128	2.9
155.08536	2.7
157.10117	5.5
159.11667	10.4
161.09592	2.6
161.13263	3.1
163.11148	19.6
164.92732	1.4
165.12727	3.3
169.10135	3.4
171.11678	3.1
173.09515	2.2
173.13281	3.8
175.11166	2.2
175.14877	2.2
177.12772	3.1
181.21980	1.6
183.11656	3.0
187.11143	2.2
189.11230	1.9
189.12918	1.4
191.10689	2.0
191.14198	2.2
201.12790	1.4
205.12186	6.1
227.12770	4.1
229.19447	2.9
239.18016	6.7
244.17813	1.3
245.13844	2.2
247.20613	2.1
257.18912	11.7
261.84271	1.3
275.20029	82.8
276.20334	4.7
279.15897	1.5
293.21017	8.7
297.16968	7.8
349.23679	100.0
350.23950	7.0
351.12466	1.6
367.24762	35.6
368.25089	2.2
394.19812	1.4
483.25775	42.7
484.26227	2.7
488.10263	1.6
647.79999	1.7
680.33221	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	680.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93748	0.2
69.77491	0.3
69.77901	0.9
94.04037	0.2
98.20693	0.3
108.65433	0.2
119.03525	0.5
136.06163	100.0
137.04626	0.3
137.06577	0.9
145.76239	0.2
245.05022	0.2
268.10370	27.6
269.10654	0.4
417.08746	0.2
460.96185	0.2
461.03192	0.2
503.13876	0.2
519.03650	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	677.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01868	13.0
55.05501	42.9
57.03438	10.7
57.07057	3.6
65.03920	3.9
67.05493	63.5
69.03413	5.7
69.07059	30.5
71.04971	4.7
71.70427	1.3
71.70807	2.1
79.05479	52.6
79.05933	3.5
81.03402	12.5
81.07044	93.9
82.07374	2.7
83.04971	18.6
83.08604	30.4
85.02880	4.9
85.06533	6.7
91.05467	49.1
92.05809	2.0
93.07028	46.6
95.04949	67.2
95.08592	36.1
96.08910	2.2
97.02856	2.1
97.06506	13.3
97.10159	12.1
99.04443	5.0
99.08096	3.1
105.07015	46.2
107.04938	14.9
107.08573	41.5
109.06505	25.0
109.07227	2.9
109.10140	17.8
109.53830	1.5
111.04438	13.7
111.08043	12.1
113.06023	2.1
117.06992	14.2
119.08554	36.3
121.06482	11.8
121.10126	24.6
123.08071	10.7
123.11681	6.7
125.09612	12.3
129.06976	5.9
131.08554	23.8
133.06511	3.6
133.10114	23.5
135.08035	9.2
135.11685	10.7
137.09644	4.1
139.11176	2.1
141.06898	2.5
143.08548	6.0
145.06422	2.0
145.10089	24.8
147.08035	4.9
147.11662	23.3
149.09613	28.6
149.13219	7.4
151.11154	4.4
153.12769	2.7
155.08546	2.0
157.10089	7.5
159.11649	14.3
161.09619	3.5
161.13251	6.2
163.11160	27.9
165.12735	8.5
169.10109	4.8
171.10275	2.1
171.11641	3.5
173.09605	2.2
173.11861	2.7
173.13142	7.3
175.11169	4.4
177.12746	6.3
181.12190	2.1
183.11679	4.4
185.13295	1.9
187.11078	3.7
187.14777	2.0
189.11191	15.4
189.12698	3.1
191.10719	2.1
191.14328	2.3
193.12137	2.5
195.11635	1.7
195.13649	1.5
199.14841	2.0
201.12791	2.3
205.12224	3.9
223.13254	39.6
227.12796	2.4
229.19501	3.8
239.18018	4.5
247.20612	4.9
257.18900	13.7
267.15799	2.0
273.18625	2.9
275.20026	100.0
276.20419	3.4
277.21603	2.1
291.19601	8.0
293.21069	56.4
294.21515	1.9
331.22437	2.0
349.23688	36.7
367.24759	78.6
409.28400	1.6
409.65848	1.9
418.52930	1.8
462.29214	1.8
515.36780	4.6
610.43689	1.8
623.42731	6.9
641.43970	14.2
659.45374	15.4
677.40314	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66500	1.1
53.03924	4.2
54.87328	1.5
55.01851	3.0
55.05504	19.9
57.03425	8.1
57.07051	5.4
61.02916	19.0
64.42336	1.4
65.03934	2.7
65.67869	1.5
67.05494	87.8
69.03406	4.4
69.07056	15.0
69.51888	13.6
70.47947	1.2
71.04967	5.4
73.02898	6.7
73.34261	1.3
79.05478	54.0
81.03401	3.5
81.07043	100.0
82.07381	2.7
83.04945	4.1
83.08604	12.2
85.02887	22.6
85.06514	4.7
91.03944	17.1
91.05459	26.4
92.05755	1.7
93.07030	61.4
95.04961	9.0
95.08588	73.9
96.05282	1.6
96.08921	2.3
97.02328	1.4
97.02869	9.2
97.06520	3.7
97.10155	8.5
99.04458	2.5
99.08071	3.1
105.07014	19.9
106.07349	1.8
107.04941	2.3
107.08577	42.0
108.08907	1.9
109.02829	2.0
109.06470	4.7
109.10139	42.3
111.04439	1.6
111.08071	2.9
111.11731	1.3
113.09578	1.2
113.60525	1.2
115.03873	1.6
115.05437	1.2
117.06980	9.8
119.08557	14.7
120.08917	1.6
121.06464	1.5
121.10123	42.4
123.08047	3.1
123.11682	20.4
125.09607	3.2
127.03876	6.3
129.06987	2.6
131.08553	23.9
133.10107	18.4
135.11670	28.7
137.06102	1.3
137.09610	2.8
137.13225	5.7
138.58957	1.2
139.11183	2.1
143.46257	1.2
145.04950	7.2
145.10104	19.4
147.11667	12.3
149.09610	3.3
149.13232	23.8
151.11211	2.8
151.14806	3.5
153.12775	1.8
159.11696	14.8
161.09615	1.6
161.13208	11.3
163.06013	8.9
163.11180	3.2
163.14764	14.8
165.12685	1.4
173.09676	1.3
173.13271	16.6
175.14804	4.4
177.16423	6.9
179.14287	3.0
187.14748	9.9
189.16379	1.7
201.16364	2.9
205.15912	2.1
209.11543	1.3
215.17892	1.7
223.13246	1.7
227.12918	1.3
233.22661	3.2
243.21028	33.3
261.22110	99.3
262.22437	3.2
268.84839	1.4
275.19983	3.6
276.20447	1.8
279.23154	4.8
284.64005	1.6
291.19400	3.1
292.19995	2.7
293.20670	2.0
301.01706	1.4
317.24359	1.8
335.25745	34.4
345.23703	1.4
349.23505	2.1
353.26859	30.0
354.27441	1.4
446.92151	1.6
497.30801	4.9
550.62213	1.7
616.19061	1.6
677.34723	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	675.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31564	1.5
53.03922	6.5
55.01865	16.1
55.05501	46.8
56.52601	1.3
57.03429	11.2
57.07075	8.6
58.98383	1.3
59.04969	1.4
59.95526	1.9
61.02900	4.5
62.59804	1.6
65.03942	2.9
65.79163	1.5
67.05492	74.9
69.03418	8.7
69.07057	38.3
70.07389	1.7
70.59504	1.3
71.04956	5.3
71.08611	5.9
71.69886	2.0
73.02893	3.3
73.06540	2.1
77.03895	1.6
79.05479	68.1
81.03407	17.7
81.07042	100.0
82.07371	1.8
83.04964	12.8
83.08607	25.1
85.02885	7.0
85.06527	5.2
85.10171	4.0
86.09698	1.5
87.04458	2.8
89.06023	10.9
90.06318	1.9
91.03947	2.1
91.05465	53.7
92.05779	2.7
93.07026	60.4
94.07352	2.1
95.01290	2.4
95.04957	39.6
95.08588	43.1
96.08932	1.4
97.02852	7.5
97.06510	13.8
97.10151	26.0
99.04446	3.4
99.08083	3.8
99.76774	1.5
101.02393	2.2
103.05466	2.9
105.04468	1.9
105.06329	3.2
105.07011	51.5
105.07720	2.5
106.07322	2.7
107.04933	14.6
107.08571	41.2
108.08917	2.3
109.02815	1.9
109.06508	16.6
109.10133	24.2
111.04411	5.3
111.08070	8.9
113.05982	2.0
115.05442	2.9
117.07009	19.2
119.04889	2.6
119.07737	2.8
119.08553	43.1
120.05864	1.5
121.06470	9.9
121.10121	25.8
123.04487	2.3
123.08032	21.0
123.11687	11.1
125.06020	1.3
125.09613	17.7
126.80612	1.3
127.03815	2.2
127.07517	2.4
128.06216	4.4
129.06989	9.6
130.07787	1.9
131.08549	27.0
133.06453	5.5
133.08577	5.7
133.10114	27.5
134.09012	1.6
135.08038	12.0
135.11694	10.6
137.05911	2.0
137.09605	10.5
139.07500	2.8
139.11122	3.2
141.06934	4.2
142.07727	2.7
143.08530	12.7
145.06438	3.1
145.10086	26.3
146.10564	1.5
147.08026	15.5
147.11655	18.9
149.09613	16.5
149.13173	7.1
150.09923	2.0
151.11188	6.9
153.09100	4.1
153.12772	2.5
155.08525	6.3
157.10103	11.5
158.10391	1.9
159.08023	3.4
159.11661	16.0
161.09561	9.0
161.13219	4.6
163.11174	15.5
165.09093	9.2
165.12723	5.3
167.08458	1.8
169.10143	6.9
169.12109	1.8
171.10243	2.6
171.11636	10.8
173.09613	4.7
173.13182	8.6
175.11134	8.5
175.14812	2.5
177.11258	2.2
177.12794	4.4
179.08475	1.5
179.10577	1.9
179.14198	3.4
181.10089	3.8
181.12292	1.8
183.11649	6.8
184.07240	2.0
185.09544	2.2
185.13214	6.2
187.11157	2.6
187.13260	2.0
187.14784	3.2
189.11205	18.1
189.12691	2.5
191.10713	2.7
191.14236	2.0
193.12192	3.7
195.11647	2.2
197.13268	2.5
199.11205	2.2
199.14766	3.1
201.12746	1.9
205.12257	3.2
207.13731	2.2
209.13258	2.8
211.14964	2.0
213.16345	2.7
221.13177	1.8
223.13219	17.1
223.15034	2.2
227.12735	16.3
227.17892	3.0
229.19472	3.4
237.16348	3.2
239.18045	2.7
245.13762	4.2
245.18945	5.1
247.20552	4.8
249.14896	2.9
253.14326	6.1
255.17418	3.8
257.18967	4.5
263.19980	4.4
267.15851	2.4
269.16647	1.5
273.18445	39.6
274.18723	2.1
275.20007	44.1
276.20413	4.5
277.21588	2.7
291.19485	89.4
292.19934	3.1
293.21030	13.7
309.20364	3.7
334.06992	1.5
347.22238	9.1
349.23685	16.1
351.24561	1.5
365.23184	40.6
366.23288	3.0
367.24707	21.0
383.24084	2.4
403.29776	1.8
421.30841	1.8
455.17297	2.1
513.35712	28.8
514.36615	3.4
583.39240	1.9
609.24084	1.5
639.42596	14.4
640.42853	2.6
657.43579	26.6
658.43280	4.0
675.26428	2.0
675.41589	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	675.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01861	8.7
55.05500	26.3
57.03428	6.0
57.07060	1.6
59.04984	0.9
65.03920	3.0
67.05493	44.9
69.03423	3.4
69.07053	21.5
69.49851	2.0
69.50277	2.9
70.07389	0.6
71.04983	3.5
71.08632	1.0
79.05480	47.0
80.05787	0.8
81.03400	7.0
81.07042	100.0
82.07375	1.4
83.04970	13.0
83.08604	14.1
85.02894	1.6
85.06533	3.6
87.04456	0.5
91.05464	33.0
92.05760	0.6
93.07027	33.3
94.45248	0.5
95.01289	0.6
95.04953	15.4
95.08588	26.5
97.02872	1.2
97.06513	10.7
97.07088	0.9
97.10152	13.0
99.04448	2.2
99.08071	4.9
101.06031	0.6
103.05493	1.4
104.22987	0.5
105.04544	0.6
105.07012	29.7
107.04942	9.5
107.08572	20.9
109.06499	19.2
109.10135	11.9
111.04427	9.8
111.08056	6.3
113.05993	1.1
115.05456	1.4
115.07555	0.7
117.06184	0.8
117.07001	10.9
119.04981	0.8
119.08559	25.3
121.06468	6.2
121.10123	15.4
121.10966	0.8
123.04407	1.3
123.08046	19.1
123.11670	6.4
125.05983	1.0
125.09621	10.5
127.07552	2.6
128.06194	1.9
129.05466	0.7
129.06992	5.7
130.07814	1.3
131.08553	14.2
133.06497	2.2
133.10107	12.2
135.08037	6.7
135.11673	9.4
137.09607	4.1
139.11172	1.4
141.06998	1.1
141.09091	0.8
142.07742	1.0
143.08537	3.9
143.10658	0.7
145.06483	1.8
145.10085	13.6
146.10519	0.7
147.08032	5.3
147.11662	14.5
149.09599	7.0
149.13206	4.7
151.07545	0.6
151.11157	1.6
153.09114	2.4
153.12721	4.9
155.08533	2.2
156.09442	0.5
157.10117	5.0
159.08035	2.0
159.11690	6.9
161.09624	3.9
161.13263	2.9
163.11159	12.6
163.14796	1.0
165.09102	2.9
165.12726	4.5
167.08589	0.9
167.10675	0.7
169.10092	1.8
171.10213	1.3
171.11684	3.3
173.09665	2.4
173.13203	3.6
175.11150	3.4
175.14772	1.1
177.12726	3.5
179.10667	1.4
179.14262	1.0
181.10092	0.5
181.10768	0.7
181.12213	5.3
183.11697	2.1
183.63834	0.6
185.09573	0.8
185.13297	1.6
187.11192	2.2
187.14879	1.6
189.11208	11.8
189.12744	1.4
191.10625	4.8
191.14366	0.6
193.12180	2.6
197.13286	1.2
199.14723	0.7
201.12784	1.3
205.12274	1.3
207.13763	1.2
209.11740	1.5
209.15250	0.7
215.17891	0.6
221.15480	0.8
222.45070	0.6
223.13223	3.8
227.12746	8.5
227.18025	1.9
229.19525	2.3
233.15318	0.7
237.16623	0.8
239.07230	0.7
239.18027	1.4
245.19031	1.6
247.20599	2.4
255.17441	2.1
257.18976	4.4
263.20099	1.3
267.15729	0.8
273.18457	17.4
274.18808	0.7
275.20023	30.5
276.20425	1.2
283.15479	1.4
289.18115	0.6
291.19479	37.1
292.19901	1.4
293.21057	7.7
294.21545	0.5
309.20505	3.0
347.22116	5.2
349.23700	10.6
365.23154	12.6
366.23627	1.0
367.24762	7.7
383.24353	1.7
481.13586	0.6
519.32837	2.6
559.36395	0.8
565.38715	0.9
575.35718	0.6
621.41626	1.5
639.42303	4.1
657.43530	8.0
658.43951	1.0
675.44769	10.2
676.44098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01861	17.2
55.05503	58.2
57.03432	10.4
57.07066	1.3
59.04991	2.0
64.69998	1.4
65.03920	4.1
66.04641	1.2
67.05494	58.1
69.03428	5.9
69.07056	28.0
70.20001	6.1
71.04976	8.2
79.05480	63.1
81.03399	10.8
81.07043	100.0
81.48132	1.3
83.04966	30.2
83.08606	34.3
85.02898	9.2
85.06535	4.0
91.05463	41.1
91.06038	2.1
93.07027	59.5
94.07334	1.4
95.04951	79.5
95.08591	32.4
96.05303	1.4
97.06517	13.4
97.10151	30.3
99.04436	11.5
99.08092	7.8
101.02401	1.3
103.05468	1.9
105.07014	36.3
107.04939	17.0
107.08575	42.5
109.06506	18.5
109.10147	18.8
111.04426	30.5
111.08056	12.4
111.34291	1.3
113.05999	2.6
115.05463	3.4
117.07018	17.9
119.08559	31.7
119.09397	1.9
121.06491	14.6
121.10122	29.6
123.08049	33.0
123.11703	3.7
125.05964	3.5
125.09606	27.0
127.07512	1.4
128.06187	1.6
129.05467	1.5
129.06972	10.5
130.07767	1.5
131.04865	1.5
131.08545	23.3
133.06471	3.7
133.10106	16.3
135.08015	11.6
135.11678	17.5
137.09613	7.1
139.11145	2.6
141.06941	3.2
143.08542	8.3
145.06439	3.3
145.10101	29.8
147.08005	14.7
147.11671	14.1
149.09592	31.1
149.13222	2.7
151.11143	4.0
153.09064	4.1
153.12732	11.2
155.08545	4.0
157.10080	7.9
159.08063	2.5
159.11647	10.9
159.15598	1.3
161.09619	6.5
161.13203	2.4
163.11154	38.2
165.09114	5.9
165.12738	3.4
169.10117	5.1
171.10135	3.3
171.11710	6.3
173.09595	4.6
173.13252	4.9
175.11130	4.4
175.14879	1.4
177.12706	5.0
179.10606	1.5
181.09976	1.8
181.10751	1.3
181.12209	9.7
183.11626	2.4
185.09573	1.5
185.13257	2.8
187.11215	5.1
187.14757	2.5
189.11194	26.2
189.12794	3.2
191.10596	7.9
193.10318	1.3
193.12239	3.6
195.11710	1.7
195.13763	1.4
197.13245	2.2
199.11140	1.7
203.10747	1.9
205.12216	5.2
207.13701	3.0
209.11617	1.6
211.13141	1.6
223.11037	2.6
223.13245	54.6
227.12700	15.6
227.17831	1.9
229.19473	2.5
239.18132	2.1
245.18883	3.5
247.16769	1.6
247.20428	2.0
249.14882	2.0
255.17429	3.2
257.18893	6.9
263.20032	1.7
273.18427	30.2
274.18665	1.4
275.20026	45.3
276.20325	2.6
280.29871	1.4
283.15353	4.0
291.19492	58.5
292.19669	3.1
293.21063	27.6
309.20526	2.9
329.21298	1.5
347.22198	6.6
349.23688	7.7
365.23151	25.0
367.24731	21.0
407.24533	1.7
430.12000	3.3
513.32727	1.5
547.36566	1.7
561.38965	1.6
583.39484	1.3
615.50568	1.3
639.42542	9.6
657.43414	20.7
658.43286	1.9
675.44843	14.4
676.45331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01867	12.3
55.05502	26.8
57.03426	6.2
65.03936	2.9
67.05498	63.1
68.05822	2.6
69.03422	9.3
69.07060	22.1
69.92609	9.6
69.93027	3.6
71.04965	6.2
71.08607	2.2
79.05483	50.4
81.03412	10.1
81.07042	100.0
82.07381	4.8
83.04970	8.4
83.08614	11.4
85.02885	2.9
85.06544	4.2
91.05460	48.6
93.07029	47.9
94.07347	3.2
94.37861	1.7
95.01324	2.7
95.04945	15.4
95.08587	34.5
96.49522	1.8
97.02892	3.7
97.06518	10.7
97.10154	5.4
99.08058	3.9
99.71889	1.8
103.05452	1.9
104.22001	2.5
105.07010	42.1
107.04939	13.3
107.08585	31.2
109.06492	20.4
109.10133	19.9
111.08092	4.3
117.06979	13.2
119.08569	29.1
120.08882	3.1
121.06482	9.4
121.10132	19.0
123.08049	9.2
123.11697	6.1
125.09628	3.5
127.07505	2.5
128.06223	2.6
129.06981	7.4
131.08546	19.0
133.06479	6.0
133.10112	25.8
135.08044	11.5
135.11644	9.3
137.09648	3.2
143.08537	7.6
145.10100	15.6
147.08014	4.8
147.11647	13.0
149.09610	12.9
149.13260	4.4
151.11174	12.0
155.08589	2.4
157.10110	7.0
159.08028	2.2
159.11665	10.0
161.09576	3.6
161.13257	4.1
163.11182	7.9
165.12737	6.2
171.11696	4.0
173.09592	3.2
173.13208	3.5
175.11177	5.6
177.09100	2.9
177.12785	3.3
179.14246	2.2
185.09698	2.2
185.13272	3.2
189.12712	3.8
193.12338	2.3
195.13889	2.0
199.11217	2.2
203.14299	2.9
205.12085	2.4
207.13779	3.2
223.13275	2.7
229.19365	2.6
245.19176	3.2
250.67241	2.0
253.14340	8.9
255.17361	2.8
257.18903	2.6
263.20084	3.2
273.18414	28.6
275.20023	36.7
276.20349	6.7
277.21191	2.4
291.19482	35.1
293.21124	7.8
309.20697	4.2
347.22177	8.6
349.23532	12.2
365.23190	18.0
367.24863	10.3
446.50702	2.3
513.35083	2.9
639.42267	6.5
657.44025	11.0
675.43341	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	675.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20441	2.4
53.03925	3.1
55.01849	6.1
55.05498	14.8
57.03419	10.2
61.02641	3.6
61.02918	30.4
67.05493	36.5
69.03416	11.9
69.07054	12.2
70.06590	3.0
71.04995	3.4
73.02896	11.1
75.75329	2.4
78.04024	2.2
79.05071	4.2
79.05479	37.2
81.03403	16.0
81.07047	39.8
83.04969	5.6
83.08583	7.9
85.02893	31.1
87.04493	2.5
91.03953	14.8
91.05468	48.6
91.64439	2.3
93.07033	50.3
94.07379	3.6
95.04945	9.0
95.08591	26.3
97.02875	12.7
97.06523	7.5
99.04407	3.0
99.08067	4.1
103.05434	3.3
105.07014	51.0
107.04932	3.3
107.08575	25.7
109.02865	3.4
109.06499	5.4
109.10137	9.4
111.04433	2.5
117.06987	14.8
119.08573	41.6
120.27342	2.8
121.06477	4.1
121.10117	21.4
123.08047	5.7
127.03883	10.9
129.06979	10.0
131.08546	22.4
133.06487	3.7
133.10106	35.4
135.08025	4.9
135.11621	20.4
137.09662	3.6
143.08536	11.3
145.04936	7.4
145.10110	21.2
147.11664	25.4
149.09657	3.2
149.13234	11.6
155.08540	5.2
157.10092	10.2
159.08051	4.1
159.11697	19.7
159.59012	2.7
161.09639	3.4
161.13260	19.4
161.18896	2.6
163.05986	7.1
169.10083	3.7
171.11652	11.3
173.13260	8.8
175.11301	3.0
175.14771	10.2
183.11681	4.1
185.13232	10.5
187.11136	3.6
187.14848	3.7
189.12711	3.7
195.11720	3.5
199.11192	2.7
199.14803	7.9
217.19518	3.2
231.21068	4.3
241.19438	17.9
257.18909	4.5
259.20551	50.2
275.20004	8.6
276.20578	4.5
277.21188	3.0
277.89044	2.6
301.21841	3.1
333.23837	4.2
349.23880	3.7
351.25262	100.0
352.25485	4.2
375.25299	6.6
385.23819	4.6
387.24979	3.2
393.26062	4.0
417.26169	4.6
429.26193	4.2
435.27509	3.2
441.26132	11.8
459.27402	8.5
477.28442	4.9
478.28586	2.7
495.29437	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	675.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.05499	10.7
55.85273	1.9
57.03418	5.1
57.07062	3.7
61.02918	18.7
67.05495	24.4
69.03413	7.9
69.07040	9.0
71.04974	2.7
73.02908	7.5
79.05479	32.1
81.03397	5.5
81.07049	26.7
83.04961	4.1
83.08598	5.6
85.02895	23.3
85.06506	2.2
91.03941	12.8
91.05469	31.2
93.07025	43.7
95.04949	7.8
95.08588	19.8
95.20799	2.3
97.02875	13.2
97.06518	3.9
97.10126	3.8
105.07009	38.1
107.04937	2.1
107.08585	29.1
109.06544	3.2
109.10136	11.0
111.08069	2.2
115.03883	2.1
117.06999	8.2
119.08569	29.8
121.10126	20.6
123.08015	2.4
125.09619	2.1
127.03899	5.5
129.06989	6.5
131.08556	16.4
133.10114	27.0
135.08002	2.2
135.11661	20.0
137.09587	4.0
142.07672	2.3
143.08527	7.5
145.04950	8.0
145.10136	15.5
147.08054	2.2
147.11670	21.8
149.09575	4.0
149.13240	15.2
155.08492	2.7
157.10106	9.0
159.11626	14.2
161.09612	2.3
161.13203	19.1
163.05959	3.0
163.11200	4.5
163.14799	2.4
169.10162	3.0
171.11670	9.6
172.26834	2.0
173.13239	9.5
175.11287	3.0
175.14790	9.6
177.12810	2.0
180.53854	1.8
185.13225	8.6
187.14796	4.1
197.13216	2.8
214.88408	2.1
217.19531	2.4
231.21049	5.2
241.19473	18.1
243.20839	2.1
259.20557	40.8
271.20474	2.7
275.20016	3.3
277.21582	6.9
287.93457	2.2
301.21329	2.9
333.24252	8.9
349.23608	4.9
351.25281	100.0
352.25516	3.7
361.46057	2.5
367.22665	3.8
372.74017	2.3
375.25156	6.4
377.13196	2.0
387.25574	2.1
393.25864	1.9
417.26437	5.5
429.26376	2.7
441.26282	11.0
459.27115	8.1
477.28705	5.0
495.29446	11.4
566.88318	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	675.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.8
55.01853	2.0
55.05453	3.9
57.03373	1.5
61.02877	0.7
64.09172	0.3
67.05494	7.5
69.03359	1.0
69.07056	3.6
70.25826	0.3
70.84425	0.6
71.04952	0.5
79.05479	6.6
81.03346	1.2
81.07045	10.8
81.07485	0.4
83.04970	1.7
83.08605	1.8
85.02820	1.0
91.01293	0.3
91.03901	0.3
91.05466	5.8
93.07027	5.2
95.04960	2.3
95.08596	4.0
97.02802	0.4
97.06511	2.2
97.10148	1.6
99.04424	0.4
99.08041	0.9
105.07022	4.3
107.04964	1.5
107.05524	0.4
107.08576	3.6
107.54105	0.3
109.06520	2.0
109.10146	2.4
111.04437	1.3
111.07996	0.8
113.05981	0.3
115.05389	0.3
117.07011	1.8
119.08557	4.4
121.06414	1.2
121.10137	2.6
123.08045	3.1
123.11607	0.9
125.09618	1.7
127.03775	0.3
129.06927	0.8
131.08566	1.8
133.06418	0.5
133.10118	2.2
135.08038	1.3
135.11607	1.0
137.09535	0.9
141.07031	0.3
142.07654	0.4
143.08476	1.1
145.06284	0.3
145.10109	2.2
147.07954	0.6
147.11658	2.8
149.09587	1.3
149.13216	0.7
153.08986	0.3
153.12665	1.0
155.08478	0.3
157.10027	0.8
159.11650	1.4
161.09540	0.6
161.13200	0.9
163.11150	1.6
165.12614	0.5
171.11650	0.7
173.09509	0.5
173.13167	0.7
175.11177	0.6
177.12593	0.3
179.14165	0.5
181.12137	0.7
183.11559	0.3
185.13162	0.6
189.11217	1.7
189.12703	0.4
191.10559	0.6
193.12177	0.4
199.14725	0.3
223.13260	0.7
227.12662	1.3
233.18732	0.3
255.17458	0.4
257.18893	0.6
263.19693	0.3
273.18484	2.9
275.20016	5.1
277.21567	1.1
291.19485	5.8
293.21085	0.6
347.22067	1.0
348.68948	0.3
349.23688	1.6
351.25241	1.0
365.23288	2.0
367.24637	1.0
383.24161	0.5
439.13950	0.4
441.15173	0.3
453.15546	1.2
454.16464	1.2
455.13486	0.9
467.12823	0.8
467.18265	0.5
468.13614	2.4
469.14835	9.5
470.15256	1.9
471.16492	0.6
479.17236	0.6
481.14603	3.1
482.15814	14.3
483.16571	12.9
484.17603	2.6
485.17737	0.5
487.15533	0.4
495.17227	1.4
496.17487	6.6
497.18170	50.6
498.18719	6.8
499.19550	0.9
500.16989	0.8
501.17715	0.3
509.14517	0.5
510.19159	2.1
511.19733	7.0
512.20477	2.2
515.19354	2.2
523.16705	0.8
527.15326	0.4
528.16400	2.7
529.17194	0.3
538.20819	1.3
539.21423	0.5
541.17218	1.0
542.17914	3.3
543.19263	0.3
555.18756	1.3
556.19537	4.4
557.20325	3.5
569.20239	1.2
571.21777	0.6
616.21387	1.6
629.22375	1.0
639.42523	0.5
643.23840	6.9
644.14166	0.6
644.24658	9.9
645.25555	1.6
657.25464	7.8
657.43549	1.2
658.26215	0.7
675.26508	100.0
676.26855	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	674.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11277	0.4
55.01855	0.5
55.05502	9.0
57.03428	2.6
57.07056	2.1
60.38417	0.4
61.02894	0.9
63.67189	0.4
65.03915	0.6
65.60185	0.5
67.05137	0.7
67.05490	10.6
69.03419	5.7
69.06688	1.1
69.07054	17.8
70.06572	1.6
71.04992	1.4
71.08627	0.7
71.69964	0.8
72.08114	0.8
73.02895	0.7
73.06541	0.7
79.05480	4.1
80.75400	0.5
81.03384	1.2
81.07040	15.8
83.04955	1.5
83.08109	0.6
83.08604	10.1
84.04501	0.9
84.08123	1.3
85.02895	5.0
85.06520	1.2
86.09675	1.6
87.04441	2.7
91.05460	5.1
93.07023	6.8
95.04930	1.4
95.08590	16.3
97.02876	5.4
97.06512	3.1
97.10150	9.2
98.01029	0.5
99.04420	0.7
99.08074	1.7
101.05972	0.7
105.07020	3.9
107.08576	4.8
109.02841	0.9
109.10143	7.6
111.08048	1.6
111.11684	3.3
113.09595	0.6
115.03902	3.2
117.06966	0.6
119.08553	4.1
120.08075	0.5
121.02863	1.0
121.06493	0.9
121.10129	7.6
123.04419	0.5
123.08052	1.1
123.11709	2.9
124.99971	0.7
125.09631	1.2
125.13235	0.8
127.03882	1.1
131.08546	0.6
133.04913	2.6
133.10089	4.5
135.04340	0.6
135.11661	7.6
137.05917	3.4
137.09579	1.8
137.13239	1.8
139.03911	0.5
139.11130	1.6
145.04996	0.8
145.10069	1.7
147.11649	4.7
149.13225	1.4
150.07651	0.6
151.03935	0.7
151.11147	1.3
151.14835	1.0
153.12694	2.0
155.10609	0.5
156.13820	1.1
161.05869	0.5
161.09555	0.6
161.13269	3.5
165.12740	1.6
167.07059	2.2
175.14792	1.3
175.86000	0.5
179.14291	0.9
184.07231	0.6
187.11206	0.6
191.18021	0.7
191.54366	0.5
193.08412	0.5
193.19444	0.6
211.03931	0.8
215.10750	0.6
217.19466	5.6
229.05038	0.7
235.13307	0.7
235.20528	6.2
251.12994	0.5
253.21577	6.6
257.04446	4.2
258.04773	0.6
261.03809	1.1
273.03873	4.0
274.04288	2.1
275.20026	0.5
285.03906	8.9
286.04233	1.9
303.04907	5.7
304.05319	1.3
309.24094	2.2
313.06866	0.6
327.04895	1.9
327.25238	100.0
328.25620	5.8
339.05008	1.5
345.26297	27.6
346.26572	1.2
357.05908	0.6
363.27368	3.2
387.07037	0.7
387.14383	0.6
388.15088	0.7
405.08221	0.8
483.42740	0.6
512.37158	0.6
520.52179	0.5
554.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01130	0.3
53.03922	0.8
55.01855	0.8
55.05502	1.9
57.03424	0.5
61.02902	0.7
66.64009	0.4
67.05489	4.5
69.03398	1.4
69.06740	0.3
69.07058	3.5
69.88317	0.5
69.88728	2.0
70.06555	1.0
71.04945	1.2
73.50300	0.3
79.05476	7.2
81.03376	1.0
81.06610	0.6
81.07040	7.9
83.04970	2.0
83.08576	1.2
84.08099	0.6
85.02863	1.1
85.06497	1.1
86.09688	0.6
91.05462	5.9
93.07029	10.3
95.04951	2.7
95.08586	4.3
97.02838	0.8
97.06517	3.2
97.10134	0.5
98.20728	0.4
99.04434	1.9
103.05431	0.4
105.06345	0.6
105.07013	11.3
107.01266	0.7
107.04917	0.8
107.07918	0.6
107.08578	8.4
109.02851	0.7
109.06508	2.9
109.10144	3.2
111.04398	0.3
111.08062	0.4
115.05389	0.4
117.06953	0.7
119.04925	0.5
119.08553	7.7
121.02845	0.8
121.06490	3.2
121.10131	1.7
123.08015	0.9
123.11652	0.5
125.05930	1.5
127.03888	1.5
127.07494	1.1
128.06165	0.8
129.05403	0.4
129.06952	1.2
129.10204	0.3
131.08510	1.4
133.06444	0.8
133.10118	2.2
135.04451	0.4
135.08002	2.1
136.07518	0.4
137.05945	1.5
139.07524	1.9
141.46021	0.3
142.07680	0.8
143.06972	1.1
143.08501	1.5
145.06483	0.6
145.10114	2.3
147.07982	0.8
147.11661	11.5
147.12831	0.6
151.07462	0.6
153.01820	1.0
155.04860	1.6
155.08524	0.4
156.09332	0.7
156.13779	1.1
157.10094	2.7
159.07986	0.5
159.11717	0.5
161.13255	2.6
165.09081	0.6
165.12727	2.4
167.06848	0.5
171.04454	0.4
171.11635	2.9
175.11150	2.3
177.05492	0.5
181.04990	0.4
183.04369	2.0
187.03909	0.6
189.12712	3.2
193.12224	1.9
199.11145	2.0
201.05501	2.0
207.13763	3.7
207.94521	0.4
209.15279	0.4
211.03848	7.4
211.13446	0.4
215.03568	0.5
217.12206	4.6
219.02864	1.0
225.05458	1.4
225.19554	0.5
229.04967	5.2
229.14406	0.4
235.13242	6.2
239.03343	1.4
243.02925	0.7
245.04468	1.0
253.04979	0.6
253.14326	4.2
256.03677	1.6
257.04407	48.2
258.04761	1.0
260.03131	2.9
261.03885	8.2
263.01804	0.5
267.02808	3.0
269.04150	0.4
271.03088	0.6
271.05902	3.2
273.03885	33.7
274.04584	3.4
275.05319	0.5
281.04376	0.8
283.05881	0.4
285.03891	100.0
286.04227	3.1
287.01889	1.4
287.05533	2.1
289.03406	0.4
295.05939	1.3
297.03897	4.0
299.01852	1.1
299.05402	9.6
301.03397	0.6
301.06732	0.4
303.04944	68.9
304.05313	1.4
311.05392	1.2
313.03537	0.5
313.06900	1.1
315.04941	0.4
323.05490	1.9
325.03293	1.3
327.04932	14.6
328.05148	0.5
339.04871	4.6
341.06805	0.8
345.05997	0.6
351.04971	3.3
357.05887	3.4
362.84372	0.3
369.01614	0.7
369.05997	8.6
387.07037	6.2
397.18338	0.5
405.08044	7.3
423.09210	0.5
493.18350	0.8
519.16382	0.9
537.17493	3.7
555.18494	4.6
555.25940	0.8
657.30151	0.5
667.94220	0.5
675.22736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03951	4.6
55.01865	5.5
55.05503	19.0
56.86197	0.6
57.03436	4.8
57.07058	1.2
59.04974	0.9
61.02901	0.9
65.03928	3.9
67.05495	51.0
68.05811	0.8
69.03423	8.5
69.07057	20.9
71.04981	17.6
71.63058	1.3
79.05482	44.0
80.05807	0.7
81.03410	9.1
81.07045	100.0
82.07387	1.1
83.04966	6.6
83.08609	11.7
85.02876	1.5
85.06532	5.4
91.05465	40.2
92.05821	1.1
93.07031	39.3
95.04955	12.3
95.08591	34.8
97.02889	1.2
97.06514	9.3
97.10130	3.5
99.04457	1.0
99.08092	2.6
103.05482	1.0
104.69540	0.7
105.04509	1.0
105.07012	37.3
106.07387	0.8
107.04941	7.6
107.08579	25.7
109.02843	1.2
109.06505	19.3
109.10145	13.3
111.04427	6.1
111.08054	4.3
113.05983	1.3
113.09640	2.3
115.05447	2.6
117.07009	10.5
119.08559	27.3
121.06482	5.8
121.10123	16.0
123.04457	1.0
123.08038	8.4
123.11682	9.3
125.05968	0.9
125.09622	3.6
127.03904	1.3
127.07607	1.4
128.06236	2.3
129.06976	6.3
131.04872	0.9
131.08546	15.6
133.06511	1.4
133.10104	18.7
135.08022	5.4
135.11674	8.2
137.09622	5.2
139.11179	1.5
141.07021	1.6
141.09113	1.2
142.07791	1.2
143.08554	4.4
144.09358	0.7
145.06476	1.5
145.10107	13.6
147.08041	2.7
147.11665	20.4
149.09593	10.3
149.13208	7.1
151.07573	0.8
151.11221	3.4
154.07739	0.9
155.08565	2.6
157.10062	5.3
159.08061	2.0
159.11687	9.9
161.09633	2.6
161.13263	3.4
163.11131	5.9
163.14796	2.3
165.09012	0.8
165.12727	7.6
167.10689	1.1
169.10146	2.9
171.11751	3.3
173.13249	5.6
175.11185	4.2
175.14847	1.7
176.52861	1.0
177.12790	3.1
179.14365	1.2
183.11700	2.0
184.07375	1.1
185.13272	2.2
187.11223	2.2
187.14891	2.7
189.12776	1.1
191.10750	1.3
191.14394	1.3
193.12299	1.8
195.11603	0.7
195.13829	2.0
197.13315	2.4
199.14912	1.1
201.12987	1.0
201.16379	0.8
203.18004	0.8
205.12248	0.8
209.15276	0.9
211.14806	1.3
215.14340	1.0
219.13811	1.1
229.19576	2.3
231.17526	0.9
239.18034	1.8
247.20540	4.3
253.14456	1.0
257.19022	5.3
259.20544	0.9
261.22214	0.9
267.16022	2.2
269.17526	3.0
273.18604	1.9
275.20023	42.8
289.18124	0.8
289.21655	1.3
291.19550	5.7
293.21100	6.5
301.21738	1.7
307.22620	13.8
311.23969	0.7
313.21616	0.7
319.22696	0.9
331.22623	0.8
349.23685	13.6
351.23221	0.8
365.23352	2.4
365.35306	1.0
369.24271	2.9
381.26508	3.4
387.25476	1.8
443.27560	1.4
461.28940	1.6
461.51007	0.8
529.39453	1.1
623.43396	4.0
637.40564	1.6
641.44226	2.1
655.42999	4.3
670.01849	0.9
673.32355	4.6
673.46112	20.6
674.47223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.1
53.03933	5.6
55.01680	0.9
55.01864	9.2
55.05501	31.5
55.06540	0.9
57.03445	5.2
57.07064	2.5
57.79466	0.9
59.04991	1.5
59.18397	1.1
63.60814	0.9
65.03925	3.4
65.66936	0.9
67.05492	63.1
69.03423	12.9
69.07053	24.5
70.09048	1.0
71.04988	8.9
71.61369	2.1
73.06532	2.4
79.05476	47.7
81.03406	11.7
81.07040	100.0
82.07367	1.3
83.04967	9.3
83.08604	24.8
83.09079	2.1
85.02869	1.7
85.06525	3.5
91.05459	43.9
93.07024	53.7
95.04953	20.6
95.08585	38.2
95.09190	1.5
97.02880	2.7
97.06513	11.6
97.10150	5.1
99.04448	1.7
99.08058	3.1
103.05444	2.0
105.04385	1.2
105.07008	44.1
106.94907	0.9
107.04927	14.0
107.08573	27.8
107.21863	0.9
109.02827	2.2
109.06503	17.7
109.10123	13.9
111.04390	2.4
111.08072	9.7
113.05988	1.2
115.05421	2.3
117.06994	18.8
119.08554	31.5
119.09406	1.8
121.06487	7.6
121.10119	20.8
123.04420	1.7
123.08061	7.7
123.11682	8.4
125.09624	4.5
127.03978	1.2
128.06238	2.2
129.06982	8.1
131.08542	20.2
133.06477	3.4
133.10095	24.1
134.10454	1.1
135.08051	7.0
135.11653	10.0
137.09589	6.9
137.13226	1.3
139.11182	1.1
141.06982	3.5
143.08531	5.2
145.06494	1.3
145.10094	19.9
147.08031	3.6
147.11652	22.0
149.09581	17.0
149.13216	10.5
151.11148	4.4
153.09000	1.0
155.08556	3.5
157.10097	6.8
159.08012	3.1
159.11662	14.2
161.09666	2.3
161.13200	5.8
163.07491	1.2
163.11136	14.4
163.14789	2.7
165.12715	7.8
169.10075	3.6
171.11682	4.6
173.09599	1.9
173.13216	8.1
175.11165	4.3
175.14743	1.2
177.12775	5.8
179.10637	1.6
179.14320	2.8
181.10086	1.6
183.11694	5.6
185.09575	1.0
185.13248	2.9
187.11136	2.1
187.14761	2.0
189.11183	1.2
189.12729	1.8
189.16342	1.3
191.10654	1.7
191.14307	1.9
193.12238	3.5
195.11745	1.6
195.13722	3.4
197.13217	1.9
201.12714	2.9
205.12212	2.9
211.14835	1.8
213.14737	1.1
215.14304	1.7
219.13699	1.4
221.15321	1.2
223.13184	2.4
229.19473	4.1
239.17860	3.6
247.20537	4.6
253.14212	1.3
257.18967	8.5
259.20496	1.4
267.15869	1.5
269.17337	5.3
273.18472	3.2
275.20016	60.9
276.20459	2.0
277.21506	1.2
289.18048	1.9
289.21564	2.4
291.19495	4.8
293.21060	8.7
301.21576	2.7
303.19354	1.2
303.22824	1.0
307.22546	2.3
335.25833	1.7
349.23663	20.7
351.22989	1.4
365.23236	1.9
367.24509	1.6
369.24255	2.9
381.26306	3.3
387.25217	1.3
443.27881	1.2
545.36975	1.1
623.42841	7.4
625.41663	1.2
637.40851	2.1
641.44238	4.9
655.44281	5.6
673.44861	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01858	8.2
55.05505	28.8
57.03430	6.7
57.07061	2.5
62.74271	1.3
65.03934	5.0
67.05495	90.2
69.03420	35.1
69.07056	25.2
69.99897	4.1
70.00331	4.1
71.01348	1.5
71.04986	6.8
77.03926	1.8
79.05483	70.7
81.03415	29.5
81.07047	100.0
83.04976	13.6
83.08611	14.9
85.02892	5.5
85.06552	4.2
86.70220	1.3
87.04451	1.8
91.05466	61.0
93.07032	80.2
95.04955	19.4
95.08593	50.2
97.02896	7.6
97.06520	11.8
97.10176	4.6
99.04440	4.1
99.08076	2.1
100.54147	1.4
103.05474	3.0
105.04529	2.5
105.07015	45.7
105.07726	2.9
107.04950	7.7
107.08583	38.8
109.02870	4.5
109.06503	7.2
109.10136	17.6
111.04442	5.9
111.08076	5.7
115.05460	2.9
117.07004	24.7
117.07789	2.0
119.04935	1.7
119.08571	28.1
121.06511	6.7
121.10132	30.1
123.04435	2.1
123.08088	5.9
123.11716	7.8
125.52573	1.3
127.03914	5.3
128.06216	3.2
129.06970	12.8
131.04926	2.7
131.08562	32.0
133.06503	4.4
133.10115	27.5
135.04431	1.8
135.08017	6.7
135.11664	16.9
137.09601	3.1
141.06998	4.9
143.08553	11.0
145.06503	4.5
145.10091	17.8
147.08067	5.0
147.11662	14.7
149.09627	5.5
149.13246	19.2
151.11157	2.4
153.07091	1.3
155.07355	1.9
155.08595	6.2
157.06450	2.8
157.10103	9.3
159.08093	2.1
159.11674	20.0
161.09666	3.6
161.13232	6.9
163.11180	5.2
163.14830	2.8
165.12759	3.4
167.08525	3.2
169.10118	8.0
171.08044	3.3
171.11658	8.3
173.09657	6.2
173.13235	9.1
175.11217	5.3
175.14906	3.4
177.12694	8.4
181.10143	3.4
183.08060	1.7
183.11717	4.2
185.09657	1.9
185.13275	4.6
187.11183	3.3
187.14864	3.5
189.12692	2.5
189.16396	1.6
191.14256	1.3
193.12354	1.9
195.12010	2.9
195.13742	13.5
197.09605	1.9
197.13327	5.6
199.14844	3.8
201.12827	2.2
203.14314	1.7
209.09532	1.3
209.13377	2.0
211.14854	3.4
213.14781	1.9
215.14354	1.8
219.13895	1.6
223.14877	2.0
227.14539	1.4
233.15428	1.9
236.23003	1.6
239.14287	1.7
241.19604	1.8
243.21088	1.7
247.17293	1.4
249.14848	2.9
251.16550	1.6
254.73383	1.6
259.20667	4.6
261.14764	1.7
261.22168	4.2
267.15955	2.7
269.17432	16.6
271.20425	2.2
273.22321	3.1
275.16721	1.9
275.20123	5.6
277.21661	3.0
289.21661	2.7
297.22083	2.0
301.21622	7.5
303.23157	1.7
313.21539	2.2
315.23282	1.8
319.22562	2.6
321.17068	3.4
327.23123	3.1
335.25879	2.5
339.18176	3.9
339.22891	1.4
341.24841	3.0
345.24243	3.0
349.23819	1.8
351.23016	8.9
353.24982	2.0
369.24191	12.1
375.25436	1.9
377.19348	2.1
383.59378	1.7
385.23380	1.4
387.25269	6.5
395.20654	4.9
405.26346	3.3
443.28253	3.6
461.28934	5.5
514.44635	1.5
529.39014	4.4
545.36572	1.8
569.38379	1.7
599.40302	1.7
637.41205	5.8
655.42126	10.4
673.43018	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01858	16.8
55.05230	2.0
55.05499	33.2
57.03427	9.4
57.07050	1.2
59.04968	1.0
65.03921	4.2
67.05489	50.7
69.03425	6.2
69.07051	23.2
70.23694	0.8
70.32796	4.2
71.04970	6.4
79.05477	51.6
80.46392	1.0
80.69267	0.8
81.03398	13.2
81.07040	100.0
82.07379	1.0
82.18553	0.8
83.04501	1.8
83.04964	20.9
83.08104	1.0
83.08607	19.7
85.02880	5.8
85.06518	4.2
87.82005	0.9
91.05462	38.0
93.07027	40.3
95.04947	27.2
95.07996	1.7
95.08585	23.8
96.70932	0.8
97.02874	2.8
97.06514	11.3
97.10152	19.8
99.04446	3.2
99.08076	3.9
103.05453	1.5
105.03370	1.0
105.04473	1.6
105.07014	31.7
107.04929	14.9
107.08579	25.6
107.09321	1.5
109.06494	17.7
109.10126	15.6
111.04420	19.7
111.08046	9.9
113.06010	2.5
115.05453	3.1
116.06258	1.5
117.06989	16.3
119.04933	1.4
119.08559	32.6
121.06486	12.5
121.10133	17.2
123.04380	1.7
123.08038	29.8
123.11662	2.9
125.05988	2.2
125.09600	20.3
127.07497	1.6
128.06206	3.4
129.06978	8.0
130.07776	1.5
131.04936	1.3
131.07614	0.7
131.08537	19.9
132.05656	1.2
133.06454	6.5
133.10091	11.9
135.08035	10.1
135.11679	13.3
137.09584	7.2
139.07549	1.1
139.11171	1.2
141.05925	0.8
141.06990	3.1
142.07716	2.6
143.08517	9.4
143.10590	1.4
145.06477	4.9
145.10091	21.5
146.10425	1.1
147.08018	16.1
147.11641	8.4
149.09581	7.7
149.13239	1.6
151.11191	1.4
153.09047	2.2
153.12717	10.3
155.08539	3.1
157.06413	1.3
157.10071	7.8
159.08029	5.5
159.11668	8.9
159.76530	0.9
161.09592	13.6
161.13226	2.6
162.20816	1.1
163.07573	1.3
163.11153	21.7
165.09084	6.8
165.12714	1.7
167.08531	2.5
167.10654	1.0
169.10088	3.0
171.08052	2.1
171.10162	2.3
171.11671	5.4
173.09592	6.9
173.13309	2.4
175.11174	7.0
177.09123	2.0
177.12733	2.8
179.10826	1.2
181.10080	1.8
181.12213	10.5
183.11658	3.3
185.09570	1.7
185.13242	4.0
187.11185	2.0
187.13283	1.2
187.14809	1.6
189.11182	18.2
189.12691	2.3
191.10628	8.6
191.14380	1.2
193.10559	0.9
193.12157	5.0
195.11679	2.3
195.13658	1.1
197.13243	1.2
199.11163	2.3
199.14806	1.9
201.12746	1.7
203.14354	2.4
205.12201	2.6
209.11653	1.8
211.13121	1.3
213.16261	1.1
215.14316	1.7
217.12296	1.0
221.15308	1.2
223.13240	7.8
225.16568	1.1
227.12686	20.0
227.17944	2.8
229.19499	1.0
233.15352	1.2
237.16446	1.6
243.17464	1.1
245.18918	7.0
247.16869	1.5
249.14801	1.9
255.17473	4.8
257.19116	1.2
263.20087	1.9
271.16910	1.8
273.18439	58.8
274.18741	1.5
275.20068	4.5
283.15262	4.3
289.17932	4.8
291.19489	76.1
292.19873	1.8
309.20499	4.1
311.19690	1.2
329.21063	3.3
343.22821	1.1
347.22067	18.6
349.23764	1.7
365.23172	26.1
383.24188	4.9
393.28052	1.0
407.24396	1.1
477.28528	1.2
527.33380	2.1
531.33081	1.4
545.35803	2.2
557.34625	2.8
563.36774	2.0
575.35980	1.0
581.37933	1.9
619.39935	1.1
637.41071	7.5
655.42004	16.9
656.41986	1.1
673.32996	1.5
673.43097	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76807	1.2
53.03924	5.7
55.01869	7.8
55.05503	28.3
57.03423	7.5
57.07057	2.7
65.03916	5.2
66.31446	1.4
67.05498	86.6
69.03418	31.7
69.06740	1.9
69.07062	24.3
70.87826	1.6
71.04985	10.1
71.70635	1.4
71.71016	1.7
73.02911	1.5
77.03914	1.6
79.05022	2.8
79.05481	61.7
81.03406	26.2
81.07043	100.0
83.04970	13.9
83.08604	18.0
85.02901	4.7
85.06510	4.7
91.05468	57.7
93.07032	67.2
95.04954	21.0
95.08001	2.6
95.08593	48.0
97.02869	4.6
97.06518	10.7
97.10131	5.3
99.04417	2.7
99.08088	2.2
103.05447	2.7
105.04463	1.5
105.07016	43.5
107.04939	9.3
107.08575	41.5
109.02864	4.9
109.06499	11.8
109.10137	16.0
111.04404	7.8
111.08054	5.4
111.57413	1.3
113.06007	2.8
115.05428	3.1
117.06179	1.6
117.06999	24.0
119.04935	1.7
119.07730	2.4
119.08560	32.9
121.06531	8.8
121.10125	23.7
123.04414	2.1
123.08057	5.8
123.11684	9.6
125.09622	3.5
127.03893	4.6
128.06207	2.7
129.06979	14.3
131.08548	32.0
133.06468	4.7
133.10110	25.9
135.08044	7.3
135.11691	18.3
137.05977	1.3
137.09607	4.0
139.11092	1.4
141.06950	2.5
142.07755	2.4
143.08542	10.4
145.06456	5.2
145.10083	18.1
147.08060	7.5
147.11658	16.3
149.05963	1.9
149.09578	6.0
149.13219	16.2
151.11185	2.5
153.09091	1.9
155.08603	7.5
157.06415	2.4
157.10104	10.0
159.07997	3.8
159.11674	17.6
161.09627	3.9
161.13254	6.8
163.11153	4.2
163.14796	1.6
165.12746	4.2
167.08482	2.1
169.10060	5.7
171.08035	3.0
171.11673	9.7
173.09610	3.5
173.13232	8.5
175.11142	4.2
175.14819	2.9
177.12778	8.2
179.08527	1.8
179.10515	1.4
181.10043	3.0
183.11644	6.5
185.09572	3.2
185.13158	5.2
186.04741	1.7
187.11177	3.6
187.14803	3.6
189.12689	3.1
191.10764	2.4
193.10188	1.9
195.11885	2.6
195.13766	8.7
197.13264	3.3
199.11195	3.8
199.14738	2.8
201.12704	2.6
201.16438	2.2
211.11118	2.3
211.14737	3.4
213.12720	2.3
213.14656	3.1
213.16521	2.7
215.14374	1.8
219.13800	2.2
221.13269	2.3
221.15315	1.6
227.12651	2.0
239.17967	2.4
241.19437	3.6
257.18890	3.8
259.20520	4.4
261.22009	2.5
267.15924	1.8
269.17468	13.7
273.18542	1.7
275.17084	2.1
275.20001	12.9
277.21509	3.3
289.18002	1.6
291.19528	5.1
301.21536	6.3
307.22485	1.8
315.23004	1.8
319.22598	1.9
321.16959	1.8
327.23212	3.0
333.24268	1.7
335.25897	2.8
339.17896	4.1
339.22937	1.6
341.24741	4.0
345.24484	2.1
349.23688	5.1
351.23151	6.5
353.24454	2.8
369.24304	10.3
375.25525	1.7
387.25156	5.6
395.20663	3.0
443.27844	3.1
461.28635	4.8
529.38623	2.2
532.37225	1.8
583.39520	1.8
637.40649	6.4
655.42023	8.4
673.27399	1.7
673.30402	2.3
673.43036	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.5
52.34898	1.2
53.03939	9.4
55.01862	5.9
55.05504	30.7
57.03437	7.8
57.07073	2.5
65.03926	6.2
67.05499	89.2
69.03422	39.3
69.07066	26.9
71.01336	2.0
71.04978	8.8
71.08622	1.8
79.05484	75.8
80.17138	1.5
81.03413	31.6
81.07048	100.0
82.07391	1.6
83.04971	11.8
83.08616	20.1
85.02900	5.2
85.06524	5.0
88.34728	1.5
91.05472	62.2
92.05815	1.7
93.07032	79.6
95.04960	18.0
95.08599	52.3
96.68492	1.5
97.02885	9.5
97.06512	12.4
97.10142	4.9
99.04451	4.3
99.08070	3.0
103.05454	2.4
105.04509	2.2
105.07015	46.7
107.04941	10.5
107.08583	41.2
109.02871	5.8
109.06483	10.6
109.10137	18.6
111.04414	8.7
111.07381	1.3
111.08045	7.6
113.05988	1.6
115.05463	4.1
116.21445	1.3
117.07003	25.2
119.04952	1.7
119.08567	32.2
121.06508	9.1
121.10125	27.1
123.04414	1.9
123.08055	6.4
123.11675	6.6
125.09594	2.4
127.03915	5.0
128.06230	4.2
129.06992	14.1
131.04935	1.8
131.08553	34.5
133.06467	5.7
133.10121	28.4
135.08037	5.4
135.11679	18.9
137.05891	1.8
137.09612	5.4
139.11171	2.9
141.06987	4.7
142.07719	2.0
143.08545	8.9
145.06476	5.8
145.10098	18.1
147.08038	5.1
147.11673	19.4
149.09599	5.4
149.13249	20.6
151.07527	2.0
151.11157	3.3
155.08482	7.6
157.06523	2.2
157.10100	8.8
159.08032	4.1
159.11679	21.9
161.09608	4.9
161.13292	7.9
163.07478	2.1
163.11089	2.6
163.14801	2.2
165.06941	1.8
165.12744	3.1
167.08551	3.3
169.10126	5.3
171.07951	1.7
171.11673	7.3
173.09639	4.2
173.11876	2.0
173.13211	7.9
175.11166	3.9
175.14807	2.9
177.12746	8.1
181.10181	3.3
183.08089	1.8
183.11713	5.5
185.09586	3.1
185.13324	7.3
187.11140	2.9
187.14781	5.2
189.12759	2.9
193.10130	1.9
195.11775	3.4
195.13802	12.5
197.13264	4.5
199.14876	3.8
201.16364	2.3
203.14252	2.3
205.10445	1.7
205.12476	1.5
209.13283	2.8
211.11192	1.5
211.14899	3.6
213.12775	3.0
213.14635	2.2
223.14909	2.2
225.12793	2.9
227.14395	2.1
231.13777	2.2
235.14915	2.3
235.16988	2.4
241.19537	3.0
243.21425	1.5
245.15446	1.4
259.20566	4.2
261.14880	1.6
261.22113	3.3
267.15848	2.4
269.17395	18.0
275.16464	3.2
275.20065	4.2
277.21594	3.1
289.17896	2.5
289.21603	2.2
293.21133	1.9
301.21582	7.4
303.23242	1.9
313.21674	1.9
315.23120	4.0
319.22708	1.9
321.16922	1.9
325.21457	1.6
327.23071	3.8
333.24527	2.6
335.25784	4.7
339.18143	4.6
341.24628	3.1
345.24139	2.6
349.23715	2.1
351.23227	5.3
353.24689	2.2
357.23990	3.4
363.25046	1.5
369.24225	14.4
387.25110	6.8
395.20798	7.0
405.26260	3.6
425.27222	2.6
436.35007	1.6
443.28107	7.0
461.28839	7.7
462.28177	1.7
529.39264	3.8
557.37354	1.8
587.39374	2.0
595.39136	1.9
611.39246	1.8
619.39355	1.6
637.40753	6.2
655.42218	7.4
673.31647	2.6
673.43011	45.1
674.42371	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	673.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87156	2.7
51.16798	2.5
53.03930	9.7
55.01868	6.1
55.05502	30.4
57.03421	5.9
57.07066	3.1
59.61048	2.3
61.36872	2.6
65.03921	5.6
67.05135	4.8
67.05492	79.4
69.03423	37.9
69.07065	27.4
71.04964	7.1
77.03892	3.6
79.05481	59.8
81.03394	29.2
81.07041	100.0
82.00475	2.8
83.04967	11.5
83.08620	18.8
85.02867	6.7
85.06509	4.7
91.05463	61.5
92.43044	2.9
93.07031	76.5
95.04945	16.5
95.08589	50.0
97.02859	6.4
97.06498	11.4
97.10148	4.2
99.04511	3.0
105.07006	45.5
106.76340	2.4
107.04955	5.3
107.08583	42.1
109.02854	6.5
109.06506	10.1
109.10163	13.5
111.04428	8.9
111.08076	6.7
117.06999	28.3
119.04927	2.8
119.08578	28.4
121.06481	6.5
121.10120	26.4
123.08049	7.4
123.11657	8.7
125.09580	2.5
128.06154	3.3
129.06989	13.9
131.08531	29.6
133.06488	4.2
133.10106	30.0
135.07986	6.2
135.11679	16.9
137.09560	3.8
139.11157	3.6
141.06940	5.4
143.08542	9.8
145.06442	6.2
145.10092	19.0
147.07953	3.6
147.11632	18.0
149.09581	4.2
149.13245	20.0
151.11238	2.6
153.09030	2.4
155.08463	7.2
157.10098	11.4
159.07999	6.0
159.11674	20.5
161.09615	5.7
161.13251	5.3
163.14789	3.5
165.12646	4.0
169.10136	5.6
171.08003	2.8
171.11673	6.0
173.13220	9.2
177.12691	9.4
181.10114	4.7
183.11687	3.6
185.09612	3.1
185.13217	7.3
187.11024	3.0
192.60431	3.2
193.12122	4.0
195.11887	2.9
195.13771	13.5
209.13257	4.5
209.15244	3.0
213.14821	4.5
227.14420	4.0
259.20419	3.3
261.21860	3.0
269.17505	20.5
277.21490	4.8
285.16574	2.6
301.21454	6.9
315.22937	3.0
327.23251	3.0
341.24713	4.3
351.23120	3.9
369.24249	13.5
375.25266	5.0
387.25064	7.0
395.20242	3.0
443.28003	5.1
461.28897	7.6
637.40741	4.9
655.41888	9.3
673.43048	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.00288	0.6
53.03936	4.5
55.01865	11.4
55.05280	0.7
55.05502	8.5
57.03197	0.7
57.03429	8.0
57.07055	1.0
57.71235	0.7
57.71799	0.5
59.04975	1.1
61.02918	34.7
65.03899	1.8
67.05495	23.4
68.99773	0.6
69.03419	16.3
69.07057	19.1
70.26507	1.6
70.26911	1.4
71.01326	2.0
71.04986	3.9
73.02515	0.9
73.02907	13.2
76.64840	0.6
79.05482	20.3
81.02941	1.0
81.03405	18.9
81.07044	37.5
82.79419	0.6
83.01320	0.8
83.04971	6.8
83.08598	5.6
84.04429	0.8
85.02892	39.8
85.06501	1.1
87.04445	1.4
91.03941	17.7
91.05463	30.1
93.07030	21.1
95.01322	4.2
95.04397	0.8
95.04956	9.1
95.08589	17.1
97.02876	29.4
97.06514	21.8
97.10129	2.4
98.21375	0.9
99.04448	5.9
99.08074	1.1
101.02359	3.0
103.03898	2.0
103.05428	1.5
105.07014	52.1
107.04941	12.0
107.07907	0.9
107.08580	11.0
109.02866	6.3
109.06516	5.5
109.10143	6.0
111.04414	1.6
111.08041	2.2
115.03907	2.0
115.05444	0.9
117.05534	0.8
117.07000	9.7
119.08562	25.0
120.08900	0.6
121.06437	3.3
121.10130	6.5
123.04382	2.1
123.08030	2.5
123.11706	1.2
125.09583	2.0
127.03892	16.1
129.05452	1.3
129.06984	2.4
131.08554	15.6
133.06468	1.3
133.10109	32.8
135.08040	3.8
135.11667	5.7
137.05965	1.0
137.09572	1.2
139.07503	1.1
141.06943	1.9
143.08499	3.5
145.04933	7.9
145.06468	2.2
145.10101	13.5
147.08052	1.2
147.11678	13.8
149.09575	5.6
149.13216	3.9
151.11163	1.5
155.08521	1.1
157.10141	2.9
159.08047	1.2
159.11685	8.8
161.09561	1.2
161.13213	4.7
163.06007	1.2
163.11150	3.3
165.09071	2.1
165.12762	1.0
167.10646	0.7
169.10138	2.5
171.11642	2.6
173.04468	0.8
173.09557	0.8
173.13301	3.6
175.11153	0.8
175.14885	0.7
177.12766	3.6
179.14290	11.9
183.06522	3.4
183.11662	2.6
185.13249	0.8
187.11118	2.2
187.14822	0.8
195.13715	1.2
197.13234	1.6
201.07576	2.1
205.12373	0.9
215.17935	0.9
223.13232	0.7
229.19438	1.4
239.17952	2.2
241.14275	1.8
247.20622	2.9
257.18961	7.4
271.07806	0.7
273.18500	0.8
275.20023	100.0
276.20297	3.2
279.15945	1.8
293.21100	5.3
349.23679	43.2
350.23981	1.5
359.74268	0.7
360.87701	0.6
365.22424	0.7
377.23187	3.8
379.29675	0.7
391.24698	4.2
419.24377	1.1
457.25748	3.1
475.26849	2.2
493.27872	12.2
511.28915	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	673.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73304	1.8
53.03945	11.5
55.01863	17.7
55.05502	36.8
57.03194	2.3
57.03433	24.4
58.36156	1.9
59.04989	2.7
61.02917	32.7
65.03933	3.2
67.05137	3.0
67.05495	60.9
69.03419	49.5
69.07061	31.6
69.36539	1.7
71.01332	5.9
71.04990	11.5
71.08398	3.2
71.08765	3.9
73.02907	18.9
74.00339	2.0
79.05484	52.9
81.02937	3.1
81.03407	52.9
81.07044	65.2
83.01322	2.2
83.04967	17.7
83.08615	15.5
84.08118	4.5
85.02379	3.5
85.02891	67.6
85.06547	3.6
87.04450	3.3
91.03951	20.4
91.05466	50.6
93.07031	52.4
95.04955	13.6
95.07999	3.4
95.08590	37.5
97.02879	71.2
97.06508	18.3
97.10155	17.9
99.04441	14.3
99.08049	2.0
101.02361	8.9
103.03951	9.0
103.05424	1.8
104.80051	2.4
105.07010	48.1
107.04936	13.1
107.08572	41.8
107.09249	3.6
109.02856	19.7
109.06501	10.2
109.10136	24.3
111.04416	6.0
111.08065	6.7
111.81716	1.9
115.03915	5.5
115.05427	2.9
117.06991	19.9
119.04980	1.9
119.07748	2.2
119.08577	37.6
121.02835	3.5
121.06487	8.5
121.10095	16.7
123.04405	5.0
123.08021	7.0
123.11655	6.3
125.09598	19.8
127.03900	37.4
128.06165	2.9
129.05455	8.1
129.06984	8.2
131.04900	2.2
131.08534	26.6
133.06467	5.7
133.10118	23.8
135.08060	9.0
135.11668	10.8
137.05980	2.9
137.09579	4.4
141.05356	1.8
141.06956	5.4
143.08565	10.2
145.04951	10.4
145.06424	5.7
145.10088	25.6
147.07973	3.1
147.11671	19.8
148.16078	2.0
149.09608	13.9
149.13231	9.8
151.11148	5.1
155.08524	4.9
157.10088	9.0
159.08040	2.9
159.11674	21.9
161.09605	3.2
161.13249	8.0
163.06033	3.5
163.11157	13.9
165.12764	4.3
169.10120	6.2
171.11703	6.9
173.04449	7.6
173.09599	3.8
173.11707	5.9
173.13252	8.9
175.11134	3.4
177.12766	8.0
179.14255	5.4
181.10095	2.2
181.12187	2.6
183.06561	4.5
183.11731	4.5
185.09770	2.0
185.13184	3.1
187.11140	4.6
187.14819	2.9
189.11211	23.1
191.14314	2.9
195.13806	8.1
197.13242	3.6
199.14822	2.8
201.07455	4.0
201.12657	3.9
203.14270	2.6
205.12238	2.2
213.12703	2.3
213.14693	2.5
213.16565	2.3
215.14278	3.1
227.12741	12.3
229.14247	9.9
229.19521	6.5
233.15396	2.5
239.17905	6.7
245.13834	4.2
247.20479	6.8
257.19052	14.2
261.14752	2.0
269.17297	11.4
273.18420	2.7
275.20035	100.0
279.15723	2.0
283.15433	2.1
291.19632	3.1
293.21042	10.5
299.19946	3.1
331.22623	6.7
339.17813	3.2
349.23691	89.4
350.23956	3.2
353.15625	2.4
367.24661	6.2
373.23560	3.1
377.23468	4.1
383.22067	3.4
389.22839	2.9
391.24631	5.1
395.20609	3.8
413.21655	9.6
419.23846	4.5
433.25980	2.4
453.35623	2.4
457.25827	5.5
459.27283	1.9
475.26950	6.3
493.27936	13.3
511.28857	13.0
673.34656	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	673.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.1
55.01870	14.8
55.05502	28.3
57.03427	29.7
57.07061	1.9
61.02915	32.4
65.03924	5.5
67.05495	72.1
69.03417	66.7
69.07059	27.7
69.74344	13.5
70.06575	3.2
71.01330	6.4
71.04987	15.2
73.02898	21.0
79.05025	2.3
79.05484	56.7
81.03405	92.9
81.07042	100.0
83.01342	3.1
83.04964	29.4
83.08601	17.6
84.08125	5.4
85.02892	63.5
85.06518	5.0
87.04443	4.0
91.03941	16.1
91.04922	3.9
91.05465	60.5
93.07028	61.1
95.04951	26.0
95.08012	2.2
95.08592	46.4
97.02880	73.4
97.06531	16.0
97.10140	8.7
98.21425	4.0
99.04442	18.9
99.08053	6.1
101.02354	11.6
103.03913	8.5
103.05443	3.9
105.06333	2.8
105.07014	53.9
107.04936	15.7
107.07908	3.0
107.08577	40.3
109.02856	26.4
109.06520	11.4
109.10139	16.6
111.04424	13.9
111.08053	7.2
113.02332	2.2
115.03921	4.7
115.05446	3.4
117.06980	20.4
119.04903	3.5
119.08559	34.2
121.06489	10.5
121.10128	23.8
123.04388	6.0
123.08042	7.8
123.11687	8.5
125.09619	5.9
127.03899	40.6
128.06212	3.2
129.05482	11.6
129.06950	11.2
129.10260	2.5
130.07744	1.9
131.04898	5.4
131.08536	29.6
133.06470	7.5
133.10112	35.1
135.04430	2.1
135.08006	8.9
135.11650	17.4
137.05937	4.6
137.09546	5.1
139.11128	2.2
141.06966	6.1
142.07761	2.0
143.08543	9.5
145.04918	7.5
145.06419	4.7
145.10095	20.7
147.07993	6.2
147.11656	18.4
149.09575	12.1
149.13239	25.4
151.11154	6.0
153.09048	2.5
153.12669	2.4
155.08527	5.9
157.10104	9.7
159.06590	2.9
159.07990	5.0
159.11659	25.1
161.09596	3.0
161.13245	6.9
163.11116	6.5
165.09038	2.7
165.12721	5.4
167.07031	2.4
167.08546	2.3
169.10109	4.6
171.08118	2.3
171.11632	8.0
173.04440	24.1
173.09575	4.4
173.11870	2.1
173.13208	10.2
175.11195	4.6
177.12730	15.4
179.14328	2.8
183.06502	10.9
183.10117	1.8
183.11691	6.5
185.13214	3.5
187.11131	3.7
189.11162	2.6
189.12750	3.1
193.12187	3.4
195.13754	20.0
197.13245	5.3
199.11140	2.2
201.07565	5.2
201.12627	2.7
207.13759	3.1
213.12909	2.6
213.14848	8.1
216.40694	2.0
219.13763	3.1
227.12625	3.2
229.14232	2.8
229.19405	3.6
237.47285	1.9
239.17926	7.0
247.16811	2.1
247.20561	8.1
249.14833	2.5
257.19009	13.0
261.14734	6.7
267.15976	2.5
269.14761	2.7
269.17429	40.3
275.16708	5.4
275.19995	65.0
275.23019	3.2
285.14636	4.9
293.17532	2.4
293.20947	6.2
297.16885	5.6
303.04861	2.4
303.15793	8.1
311.18454	4.1
321.16870	4.2
321.24152	2.9
331.22302	3.9
335.18484	5.0
339.18137	10.8
349.20306	2.3
349.23685	63.6
359.18170	2.6
365.20462	3.3
367.24777	8.6
373.23486	4.3
377.19412	8.6
383.21408	2.4
391.24704	6.0
395.20407	13.9
401.23193	2.3
413.21637	37.9
419.24005	2.5
457.25677	2.7
470.80679	1.9
475.26791	4.7
477.28217	2.8
493.27896	13.4
511.28967	19.4
527.27637	2.6
575.26514	3.6
628.26764	2.1
640.68158	2.0
673.33899	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	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.9
55.01865	17.1
55.05503	27.2
57.03431	23.5
57.07063	1.8
58.65162	2.0
61.02611	2.3
61.02918	47.3
65.03912	4.7
66.97012	1.7
67.05134	3.8
67.05495	64.6
69.03422	56.8
69.07060	42.4
70.06582	5.7
71.01344	7.6
71.04987	11.9
71.08596	1.9
71.54508	4.6
72.08159	2.8
73.02914	20.4
75.04462	2.4
79.05017	4.2
79.05479	57.7
79.05929	4.4
81.03408	59.5
81.07047	100.0
83.01322	2.2
83.04979	17.9
83.08611	14.6
84.04501	2.8
84.08135	13.0
85.02890	68.0
85.06535	5.6
86.09681	2.4
87.04447	3.5
91.03933	20.3
91.05463	53.1
93.07034	55.4
95.04961	26.4
95.08593	42.7
97.02877	64.8
97.06517	21.9
97.10131	4.5
99.04443	16.2
99.08086	3.4
101.02377	9.2
103.03912	6.0
103.05468	2.5
105.07013	49.0
107.04935	18.1
107.08575	26.9
109.02864	20.5
109.06498	23.6
109.10133	18.2
111.04433	10.0
111.08074	6.2
115.03931	3.6
115.05441	4.3
115.31166	2.1
117.07006	22.1
119.04928	3.9
119.08569	40.4
121.06512	13.2
121.10129	21.4
123.04400	9.2
123.08033	11.9
123.11692	7.9
125.05956	3.7
125.09590	7.2
125.93989	1.8
127.03898	33.5
128.06215	3.5
129.05475	5.4
129.06992	7.2
129.10205	4.3
131.04942	4.1
131.08554	26.2
133.06479	5.4
133.10104	35.6
135.04391	2.3
135.08011	12.3
135.11661	13.1
136.07590	2.3
137.05963	6.1
137.09586	8.0
137.59549	1.8
139.11150	2.6
141.06985	3.7
143.08534	9.2
145.04942	8.1
145.06459	8.1
145.10109	23.5
147.04465	2.4
147.08058	9.5
147.11697	19.6
149.05974	2.8
149.09599	16.0
149.13269	14.5
151.07523	2.6
151.11185	5.5
155.08510	4.8
157.10101	9.4
159.08087	4.3
159.11710	22.4
161.05927	2.9
161.09602	9.5
161.13232	8.1
163.11166	7.9
163.14885	4.4
165.05576	2.7
165.09116	3.5
165.12723	6.3
169.10048	3.7
171.08081	3.2
171.11655	8.0
173.04463	9.9
173.09595	4.6
173.13243	7.8
175.07426	2.9
175.11189	5.4
175.14771	2.9
177.05386	2.9
177.12741	6.7
179.14302	3.1
183.06459	6.2
183.07986	1.9
183.11806	5.7
185.13251	3.1
187.11185	7.3
187.14848	2.5
189.12703	4.3
191.10556	2.5
191.14297	2.5
193.12175	4.8
195.11755	1.9
195.13780	4.5
197.13301	4.2
201.07513	3.3
201.12714	3.5
205.12206	3.0
213.14894	2.6
215.14246	2.3
217.12015	2.1
219.13737	3.3
229.14169	2.6
229.19489	5.5
233.15329	4.7
239.17911	5.9
244.89510	2.2
245.15443	2.3
247.20502	10.1
255.17368	2.3
257.18997	11.3
267.15970	2.9
269.17517	6.8
273.03915	2.0
275.20020	90.7
276.20471	3.2
285.03973	2.7
293.17944	3.1
293.21069	16.7
299.05237	2.3
299.20105	3.2
303.15918	2.2
317.21188	3.8
329.21021	2.7
331.22684	5.0
335.95056	2.0
339.18137	3.1
341.21213	4.3
349.23688	57.2
351.74506	2.0
355.22488	2.1
359.22202	4.1
367.24686	16.8
373.23758	5.1
377.23502	4.1
383.22028	4.8
391.24603	6.9
401.23251	5.2
403.24991	3.5
409.26291	2.4
413.21704	8.3
415.24872	4.2
419.24194	6.3
424.08350	2.2
433.26077	4.1
445.26477	2.3
457.25729	5.5
463.26837	2.9
475.26779	8.4
493.28079	16.6
511.28955	33.3
655.33429	2.3
673.33301	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	673.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01852	5.1
55.05504	7.7
55.92582	0.7
57.03415	1.1
59.05003	0.9
60.04501	1.1
65.03922	1.4
67.05494	8.6
69.03413	8.1
69.07054	46.2
69.75445	1.8
69.75869	2.8
70.06579	2.7
70.07406	0.8
71.01334	1.2
71.04978	6.3
73.06529	3.8
77.03904	1.0
79.05476	22.2
79.05923	1.4
81.03407	2.2
81.07042	14.7
83.04962	53.4
84.04520	1.0
84.05302	0.9
84.08131	5.1
85.02879	1.6
85.06512	1.4
86.09673	0.8
91.05459	22.5
93.07030	17.6
95.04954	11.2
95.08588	4.4
97.06511	86.2
99.04436	24.2
101.06013	2.0
103.05438	2.4
105.04481	0.9
105.07008	51.5
106.07333	1.2
107.04935	7.8
107.08577	16.1
109.02869	0.9
109.06495	12.7
111.04424	0.7
112.16191	0.6
113.05965	0.9
115.05465	3.7
115.07560	3.9
116.06202	1.2
117.06991	15.8
119.04922	5.0
119.08567	9.6
119.61972	0.8
121.02833	1.2
121.06486	41.3
121.10117	2.1
122.03615	0.7
123.08066	1.1
124.05207	0.9
125.05966	83.3
126.06360	1.9
128.06218	3.9
129.06982	10.4
129.10211	3.0
130.07755	10.5
131.04832	1.1
131.08545	22.1
133.06454	8.7
133.10110	8.2
135.04427	1.5
135.07994	3.1
135.11662	2.3
135.84128	0.6
136.07579	1.6
137.05945	16.0
139.07471	0.7
141.06973	5.5
142.07741	2.5
143.07011	37.6
143.08527	9.9
144.05620	0.7
144.07562	0.7
144.09302	5.6
145.06454	12.4
145.10094	100.0
146.10461	2.4
147.04395	0.9
147.08017	3.5
147.11655	3.0
149.05939	1.9
149.09564	1.2
151.07512	7.8
153.01830	1.0
153.07002	2.1
154.07736	5.3
155.04909	1.1
155.08539	7.1
156.09271	1.5
157.06467	1.9
157.10147	3.1
158.07228	16.2
159.08058	10.7
159.11662	37.2
160.12039	1.1
161.05963	0.9
161.09557	1.7
163.07518	3.9
163.11142	14.4
163.12437	1.1
167.07019	5.6
167.08398	1.4
169.10097	12.4
171.08005	2.9
171.11641	3.1
172.08809	6.5
173.09590	83.9
174.09981	1.5
175.07495	2.4
177.09128	0.8
177.12712	7.7
179.08551	2.6
181.04904	0.7
182.07207	1.7
183.04395	1.7
185.09564	0.7
187.03783	0.8
187.11142	72.9
188.11574	1.3
189.09052	1.0
189.12717	2.4
191.10631	21.1
195.01151	0.7
197.09566	7.1
201.05446	2.4
205.12198	47.3
206.12628	1.1
209.11639	3.6
211.03883	6.4
215.10635	61.0
216.10934	2.0
219.02898	1.1
225.05368	1.3
229.04994	4.0
233.11682	23.4
239.03371	1.3
243.02870	1.1
245.04451	1.3
245.50104	0.7
251.12781	4.3
253.05048	1.1
256.03616	1.3
257.04398	33.9
258.04596	1.0
260.03253	1.4
261.03894	8.9
263.01889	1.0
267.02728	2.4
271.05884	4.0
273.03885	47.3
274.04465	2.9
281.04416	1.6
285.03882	54.0
286.04242	2.2
287.01987	1.3
287.05374	1.9
295.05969	1.4
297.03882	4.2
298.04453	1.1
299.02109	1.1
299.05392	10.5
303.04932	55.0
304.05371	2.4
311.05463	2.2
313.06955	3.7
323.05441	3.9
325.03323	1.5
327.04916	20.2
339.04932	5.7
341.06570	1.6
349.23828	1.1
351.04898	5.7
357.05884	9.1
369.01654	1.4
369.05981	17.9
387.07028	10.5
387.14316	1.5
405.08121	16.2
413.17981	2.2
417.06894	0.9
423.09216	10.5
493.10886	2.2
517.11786	0.9
522.49481	0.8
523.12115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05510	7.1
57.03420	5.6
57.06803	2.1
57.07069	34.8
61.02621	0.8
61.02920	13.0
64.49300	1.1
67.05495	14.4
69.03401	2.7
69.07049	7.4
71.04978	1.4
71.08254	1.6
71.08624	30.5
71.30910	2.0
73.02916	4.9
75.04469	2.5
79.05475	5.4
81.03410	2.3
81.07047	20.4
83.04959	1.4
83.08606	11.8
85.02893	17.1
85.06541	1.2
85.10172	16.6
89.06033	1.8
91.03939	16.4
91.05444	4.9
92.05784	1.2
93.07031	4.7
95.04947	2.1
95.08594	27.1
97.02874	8.7
97.06495	1.4
97.10149	6.1
99.11732	0.9
105.07034	5.5
107.04930	1.1
107.08570	3.2
109.02863	1.2
109.06486	1.4
109.10145	14.0
111.11676	1.9
111.87827	1.0
117.07017	1.9
119.08555	3.5
121.06495	1.3
121.10140	1.3
123.08038	0.9
123.11694	4.1
125.13206	1.0
127.03890	5.2
131.08533	2.2
132.09019	0.9
133.10126	1.9
137.13203	1.6
143.08578	1.4
145.04938	6.9
145.06038	1.0
145.10054	1.6
155.08516	0.9
159.11603	1.4
163.06000	10.6
169.10132	1.3
177.66219	0.9
189.11145	1.5
210.03004	0.9
221.22639	1.0
239.23660	23.0
257.24701	3.8
273.18649	1.3
275.19916	1.8
291.19440	1.7
313.27335	100.0
314.27698	4.0
331.24417	1.9
331.28403	37.6
332.28882	1.3
349.23703	1.4
393.38495	1.0
423.80188	0.9
654.40015	2.3
672.29694	2.3
672.41864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01852	5.3
55.05502	5.0
57.17709	1.1
60.44656	1.3
65.03940	2.4
67.05492	9.1
69.03422	7.6
69.07054	35.0
69.53681	3.6
69.54094	8.7
70.06595	3.5
71.04993	7.3
73.06549	1.9
77.03920	1.5
79.05480	20.2
81.03403	3.1
81.07049	13.7
83.04968	26.4
84.04502	2.1
84.08125	8.3
85.02885	3.8
85.06540	2.0
86.68758	1.3
91.05456	25.4
93.07026	18.1
93.07574	1.5
95.04964	11.0
95.08585	4.1
97.02892	2.2
97.06514	60.0
99.04438	29.5
103.05434	3.9
105.07010	52.2
106.07352	1.4
107.04929	6.1
107.08556	17.1
108.44744	1.2
109.02862	1.9
109.06482	14.8
111.04438	1.5
115.05441	4.1
115.07559	3.5
117.07004	15.1
119.04931	5.0
119.08571	8.2
121.02871	2.1
121.05605	1.5
121.06490	29.9
121.10136	3.4
123.04375	1.4
125.05968	47.6
127.03954	1.7
128.06226	3.6
129.06989	9.0
129.10201	2.5
130.07768	8.2
131.04948	1.7
131.08556	22.6
133.06471	8.5
133.10088	8.4
135.04390	2.3
135.08069	3.2
135.11642	2.8
137.05949	16.0
141.06976	4.2
143.07007	24.3
143.08510	9.3
144.05795	1.4
144.09334	8.6
145.06448	8.6
145.10094	100.0
146.10434	3.0
147.07973	3.5
147.11679	4.9
149.05988	2.4
150.43111	1.3
151.07510	3.7
154.07762	6.0
155.04872	1.9
155.08534	5.4
156.09340	2.4
157.10146	1.4
158.07227	12.8
159.08026	11.0
159.11668	37.2
161.05981	2.9
161.09578	2.0
161.13202	1.4
163.07468	2.6
163.11148	13.8
167.07074	2.2
169.10121	13.9
171.08075	2.2
171.11720	3.0
172.08826	5.7
173.06079	1.7
173.09593	60.4
174.10172	1.6
175.07570	2.1
177.09099	1.3
177.12729	4.4
179.08609	2.2
182.07146	3.4
187.11154	69.0
188.11456	2.3
189.12686	2.4
191.07027	1.9
191.10657	18.3
197.09625	7.1
201.05396	2.2
205.12204	43.3
206.12657	1.9
209.11740	3.5
211.03812	5.7
215.10643	54.9
225.05487	1.9
229.04976	4.1
233.11691	23.5
239.62213	1.3
243.02863	2.5
245.04356	1.6
251.12801	7.2
257.04422	35.5
261.03796	12.1
263.01843	1.4
267.02936	3.2
271.06009	3.7
273.03876	45.7
274.04202	1.9
285.03903	76.7
286.04276	2.6
287.05228	1.5
289.03528	1.7
295.05841	2.0
297.03818	4.9
299.05444	8.8
301.03717	1.4
303.04935	54.0
311.05405	2.4
313.06906	2.4
323.05588	2.2
325.03473	2.0
327.04883	16.5
339.04977	8.3
351.04919	5.9
357.06042	8.5
369.06006	22.4
369.10254	1.0
387.07031	11.7
405.08139	10.9
413.18231	1.6
423.09061	4.2
436.77225	1.4
506.67709	1.4
523.11578	1.8
577.12708	2.0
607.83142	1.2
637.17029	1.5
673.21576	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2907
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.19838	1.1
64.37545	1.3
67.05515	1.5
79.05470	1.4
81.07034	2.1
83.04958	2.6
84.77721	1.4
91.05462	2.1
101.63095	1.3
107.08590	1.7
108.08076	1.3
111.92381	1.3
118.06455	1.4
173.10789	1.7
174.05692	1.3
196.09950	1.5
197.10750	1.9
209.10696	2.9
210.11519	2.8
211.12302	2.3
221.10681	1.9
222.11455	1.7
223.12364	3.4
224.13039	3.9
225.13818	15.8
226.14607	4.6
235.12170	1.3
237.06636	1.5
237.13757	1.3
239.11729	1.4
239.15451	4.3
241.09943	1.2
245.10612	1.5
247.12326	3.0
249.13892	3.7
251.11798	1.4
251.15604	1.8
253.13367	1.8
260.13058	2.6
261.13849	3.1
265.13412	2.2
267.14944	6.5
275.15445	7.1
276.16135	5.6
277.13519	1.9
277.16919	1.9
293.12894	5.2
303.14957	3.8
313.27478	2.0
326.16528	1.6
330.16519	1.3
335.17456	1.6
382.15717	1.5
390.13724	1.3
427.88101	1.6
435.22122	2.1
448.18698	1.7
449.19205	1.7
461.19696	2.6
462.20346	2.5
463.21066	6.4
475.21396	2.0
490.19901	1.5
491.20883	5.9
493.22406	1.6
503.20712	1.7
507.40216	2.3
534.23059	2.0
535.23157	1.9
549.24915	3.1
550.25311	2.0
551.23413	2.0
567.25885	2.8
577.24335	2.5
609.27252	3.1
637.26508	42.4
651.27161	1.6
669.29065	100.0
670.29126	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	669.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57431	0.4
55.01837	0.5
55.05495	1.0
59.59695	0.4
61.79123	0.4
67.05481	1.2
69.07050	0.6
70.09619	2.1
79.05481	1.3
81.03403	0.4
81.07045	1.9
91.05472	1.7
93.07028	1.4
95.04967	0.8
95.08601	0.8
97.06478	0.3
103.79813	0.4
105.06996	1.0
107.04931	0.8
107.08617	0.9
109.06517	0.5
117.06970	0.4
119.08602	0.9
121.10194	0.4
129.06964	0.5
131.08566	1.0
133.10039	0.7
145.10100	0.6
147.07982	0.4
148.82034	0.4
159.11707	0.5
178.81244	0.4
237.10248	0.5
242.16107	0.4
275.19934	0.5
327.13742	0.4
337.15817	0.4
377.17661	0.7
378.18317	0.5
379.19357	0.7
391.14966	0.7
391.19266	1.6
392.20038	1.0
393.20764	4.3
394.20706	0.4
401.17566	0.5
403.19464	0.6
403.94009	0.5
404.16000	0.8
405.16266	2.7
405.20963	1.5
406.17542	1.1
407.18353	0.9
418.17834	1.0
419.18414	4.1
420.19299	3.3
421.20209	7.2
422.20947	0.8
431.18802	0.8
432.19351	0.8
433.20898	3.1
434.21121	1.4
435.17371	0.7
435.22385	0.9
443.18640	0.6
445.20306	0.6
447.17163	2.6
448.18765	3.9
449.19644	6.1
450.20367	0.9
459.17899	0.6
461.19858	2.3
462.20779	1.9
463.16727	0.6
463.21918	1.2
464.22025	0.5
465.19028	0.6
472.18814	0.5
473.19766	1.0
475.21365	1.4
476.18607	1.6
477.18906	3.3
479.24902	0.7
489.18808	2.4
490.19775	0.9
491.20450	2.5
492.21277	0.9
493.18033	0.4
493.22928	0.8
495.24084	0.6
500.17761	0.4
503.20737	2.2
504.21347	0.6
507.24045	5.2
509.22198	0.8
521.25604	0.6
522.22528	0.6
523.23737	0.6
535.23352	12.8
536.23425	0.6
549.25024	3.1
559.23602	1.8
563.22845	19.2
564.23334	1.9
567.25427	1.3
577.24432	4.7
578.25079	0.9
579.26025	1.4
581.27509	3.1
591.22638	0.6
595.25488	4.1
609.27014	6.5
610.27411	0.7
619.25885	0.7
623.24921	5.2
637.26459	1.3
641.29401	1.4
669.29108	100.0
670.29224	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	665.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.7
53.03930	9.1
54.92486	1.5
55.01868	11.0
55.05500	30.7
57.03425	10.2
57.07059	2.4
57.92765	1.8
59.04975	4.2
65.03907	4.0
67.05491	100.0
69.03416	24.0
69.07048	23.0
70.15967	7.0
71.01336	2.2
71.04980	8.7
71.08611	1.9
72.89422	1.7
76.21546	1.3
79.05476	38.2
81.03400	44.1
81.07040	81.5
82.03730	1.9
83.04964	19.0
83.08595	15.3
85.02894	8.9
85.06504	4.3
91.05465	37.8
93.07026	32.9
95.04943	19.8
95.08585	29.8
97.02858	12.9
97.06503	15.0
97.10149	8.7
99.04416	5.1
99.08051	3.5
103.05440	2.5
105.07004	31.3
107.04922	11.2
107.08572	21.5
109.02869	12.8
109.06503	21.0
109.10136	54.9
111.04417	14.4
111.08035	6.2
117.06998	12.5
119.08566	28.4
121.02822	1.7
121.06471	6.3
121.10121	11.2
123.04371	4.3
123.08037	6.7
123.11688	6.2
125.09615	10.1
127.03915	13.0
128.06192	2.3
129.05452	3.7
129.06985	6.9
131.08527	13.5
133.06467	1.8
133.10110	15.3
135.07993	7.9
135.11734	7.0
137.05960	2.2
137.09642	8.2
139.07489	1.6
141.07014	2.1
143.08565	5.8
145.06441	2.6
145.10094	11.7
147.08104	2.7
147.11644	19.0
149.09615	9.4
149.13235	5.8
151.11140	3.3
155.08521	2.7
155.10654	3.5
156.09401	1.9
157.10109	4.7
159.08067	3.0
159.11636	9.1
161.09589	4.0
161.13228	3.6
163.11133	5.3
163.14742	2.0
165.12732	4.7
169.10100	3.5
171.11652	3.7
173.09549	2.6
173.11703	15.7
173.13139	2.9
175.07448	1.8
175.11121	4.2
177.09207	2.3
177.12735	4.4
179.10593	2.0
183.08069	1.8
183.11624	2.1
187.11226	1.7
189.09148	1.4
189.11162	7.0
189.12679	2.1
199.14859	1.8
207.13747	1.5
211.13216	2.6
219.13884	2.3
227.12793	4.3
229.14294	21.3
229.19464	1.9
235.13243	2.1
239.17978	2.5
247.20512	4.7
257.18964	5.2
259.20645	1.7
259.44409	1.5
267.15857	2.6
275.20004	51.1
291.19168	1.6
293.20984	13.4
299.14764	6.9
308.01471	1.6
331.22449	1.8
337.16327	2.0
341.20844	2.1
349.23682	18.4
355.17419	6.6
355.21832	1.4
366.51453	1.6
367.24619	5.2
373.18439	12.1
383.22021	3.2
401.23093	4.3
419.24066	2.5
419.52365	1.5
440.53824	1.5
453.21091	2.1
475.26337	1.9
503.33719	13.9
504.33392	1.7
520.01807	1.7
521.34705	9.8
573.33319	1.8
617.36261	3.3
629.36249	3.6
647.37683	18.0
665.38489	32.3
666.37805	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	665.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.72304	0.3
55.01859	0.8
55.05501	7.1
56.40200	0.3
57.03412	0.5
57.07056	1.0
59.06083	0.3
60.04509	0.4
65.03915	0.8
67.05141	0.6
67.05492	12.4
69.03397	1.6
69.07053	6.0
69.40162	2.5
69.40585	1.1
70.06573	0.7
71.04972	1.6
79.05473	5.2
81.03407	0.9
81.06550	0.5
81.07038	11.2
83.04971	0.5
83.08602	4.2
84.08118	0.5
85.02892	2.2
85.06517	1.6
86.09695	0.7
88.69639	0.3
91.05455	5.2
93.07030	4.4
95.04954	0.7
95.08004	0.7
95.08585	10.0
96.16894	0.4
97.02864	1.1
97.06516	2.1
97.10155	3.2
99.04446	0.5
99.08064	0.9
101.07114	0.6
105.06996	3.6
107.04977	0.4
107.08560	3.4
109.02856	1.0
109.06503	0.7
109.10142	6.0
111.08067	2.5
111.11703	1.2
119.08549	2.7
120.15765	0.3
120.92371	0.4
121.10114	3.9
123.08018	0.7
123.11707	2.6
125.09615	0.9
127.03879	1.8
133.10107	3.6
135.11656	1.2
137.05943	1.1
137.09613	0.8
145.04924	0.6
147.11687	3.0
149.13194	0.7
153.01802	0.5
155.04892	1.1
161.13271	0.8
163.03853	0.7
165.16359	0.6
167.06949	0.3
182.38568	0.4
183.04391	1.0
187.04007	0.5
189.16341	7.1
201.05405	2.0
207.17398	6.0
211.03865	7.0
219.02795	1.1
225.05388	1.3
225.18451	5.4
229.04941	5.3
239.03354	1.6
243.02753	0.6
243.19586	0.5
245.04529	0.5
253.04936	0.8
256.03638	1.2
257.04401	50.3
258.04706	1.3
260.03131	2.2
261.03900	8.1
263.01700	0.7
267.02841	2.7
269.04544	0.4
271.05960	2.9
273.03879	26.5
274.04639	3.2
275.05338	0.5
281.04425	1.0
283.06284	0.4
285.03885	100.0
286.04211	2.5
287.01852	0.8
287.05408	1.1
295.05853	0.9
297.03937	2.9
299.02124	0.8
299.05389	9.2
301.03146	0.4
303.04938	79.6
304.05243	1.4
311.05374	1.0
313.07007	1.6
315.04901	0.4
323.05264	1.3
325.03479	0.7
327.04922	14.1
339.04898	4.0
341.06451	0.8
351.04947	3.1
357.06082	3.2
369.06006	7.6
387.07065	6.7
387.23752	0.9
405.08087	8.6
423.09061	1.3
448.27499	0.4
509.21585	1.2
527.22699	10.8
545.23688	2.5
629.25281	1.3
647.26947	6.7
665.28119	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	665.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01863	3.6
55.05506	7.0
57.03408	1.6
62.92791	1.6
65.03925	2.7
67.05497	28.1
69.03401	2.5
69.07063	4.1
70.06593	1.6
71.04978	4.3
71.70180	1.9
71.87389	1.3
79.05488	10.4
81.03416	6.9
81.07043	37.6
83.04975	1.6
83.08610	2.4
84.08132	2.0
85.02872	4.7
85.06533	5.5
91.05466	10.3
93.07018	8.0
95.04964	4.1
95.08572	8.7
97.02874	2.7
97.06485	2.1
97.10201	2.4
103.03999	1.7
105.07034	8.0
107.04919	1.8
107.08597	5.0
109.02844	2.2
109.06487	2.0
109.10146	3.9
110.03324	1.4
119.08569	4.2
121.10146	2.1
123.08028	1.4
123.11646	7.4
128.07236	1.5
131.08536	1.9
133.10092	7.8
137.05939	1.8
145.10123	3.3
147.11676	2.4
151.11182	3.9
153.01852	1.8
157.10242	1.8
161.05882	1.5
169.02745	1.4
175.11197	1.4
187.13264	16.7
188.66441	1.5
197.06035	1.7
201.14816	8.8
209.05841	1.2
211.03896	3.3
217.04900	1.9
219.02942	2.6
225.05446	5.5
227.03380	2.1
229.04936	5.2
239.03404	1.9
241.04987	4.6
243.02837	4.8
244.03726	5.7
245.04407	9.5
253.04900	5.8
256.03680	5.1
257.04410	19.4
260.03204	4.6
261.03961	3.9
263.01791	1.7
265.04938	2.4
267.03033	1.8
267.06445	3.3
269.04343	4.7
270.05106	6.2
271.02640	2.3
271.05984	9.5
272.03168	27.9
273.03888	88.3
274.04599	4.1
275.20010	1.9
277.04834	1.8
281.04428	17.8
282.05008	2.1
283.02509	3.0
283.05994	4.0
284.03064	13.0
284.06100	2.0
285.03909	30.9
285.07446	2.3
287.05444	3.1
293.04239	2.3
294.05063	4.1
295.05984	9.5
296.03094	2.6
297.03894	25.3
298.04718	12.5
299.02112	2.3
299.05411	24.8
302.01102	1.4
302.04169	8.7
303.04965	12.4
309.03922	31.2
309.07281	2.0
310.04453	2.3
311.05511	6.7
312.06366	3.8
313.03659	2.5
313.07022	8.3
315.04904	23.7
321.03961	3.1
322.04602	4.0
323.05515	23.1
325.03467	2.8
327.04944	75.5
337.03485	2.3
337.07059	8.1
338.04199	3.6
339.04990	9.0
341.06567	8.0
345.05942	9.4
347.05484	3.4
350.04193	6.0
351.04926	36.4
352.05252	1.4
355.08035	2.8
363.05023	4.3
365.06421	3.4
368.05258	2.5
369.06082	9.6
375.05051	4.2
381.05975	7.7
392.57886	1.6
393.06003	21.5
411.06964	7.6
429.07947	3.0
437.15717	6.0
449.15945	3.5
455.11212	2.2
455.16980	22.5
467.17410	1.7
477.15295	6.3
483.16473	5.3
491.16754	2.2
495.16116	7.3
501.15497	1.7
503.18631	4.2
509.17703	2.6
513.17505	10.1
515.19086	100.0
516.19360	2.6
519.16168	2.8
527.18890	6.2
531.16223	1.7
537.17017	5.9
545.12073	2.9
545.20099	48.6
546.20294	2.4
549.17560	4.5
551.18433	2.3
561.17535	2.9
567.17865	1.7
569.20111	57.9
579.18378	9.8
581.20233	11.9
593.20197	13.7
597.19299	3.8
599.21179	19.8
611.21191	32.9
611.30927	3.0
629.22217	47.4
630.22382	2.1
647.23224	25.9
659.39514	1.7
665.40094	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	661.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
53.03929	6.2
55.01864	13.3
55.05504	30.6
57.03411	5.8
57.07055	4.7
63.51749	1.7
65.03937	1.9
67.05138	3.2
67.05494	59.8
68.05830	2.1
69.03403	2.8
69.06742	1.9
69.07060	26.0
71.04988	3.2
71.08613	9.3
71.70502	1.7
71.70921	1.8
78.69867	1.3
79.05483	42.5
81.03398	5.4
81.07043	100.0
82.07354	2.6
83.04947	10.7
83.08607	21.6
85.02827	1.9
85.06520	5.7
85.10186	3.7
89.29855	1.5
91.05462	40.1
93.07028	39.9
93.55564	1.3
95.04948	16.2
95.08585	40.5
96.08923	2.1
97.06505	15.7
97.10158	5.9
99.04423	1.3
99.08076	11.9
105.07011	40.7
106.07335	1.5
107.04913	8.0
107.08562	26.9
108.08875	2.0
109.05848	1.7
109.06517	16.2
109.10149	16.0
111.08088	12.5
113.09615	5.7
117.06966	7.9
119.08554	28.7
121.06494	3.5
121.10114	21.1
123.08031	7.2
123.11700	12.5
125.09595	3.3
129.06979	3.8
131.08540	11.7
133.06505	1.6
133.10103	19.6
135.08014	6.5
135.11708	7.9
137.09566	4.2
139.11174	3.2
141.07011	2.3
143.08537	3.3
145.10100	13.1
147.11668	28.4
149.09616	8.8
149.13206	10.9
151.11195	7.1
153.12791	1.6
157.10106	5.8
159.11627	7.7
161.09566	1.5
161.13249	5.7
163.11163	10.4
163.14836	3.1
165.12711	13.7
167.10670	2.3
169.10130	2.7
171.11678	2.9
173.13264	4.0
175.11166	3.9
175.14813	2.0
177.12714	4.8
179.14287	4.5
181.12140	2.2
185.13231	2.5
189.11240	1.6
193.12183	2.6
195.13684	1.9
207.13800	2.1
223.13298	2.0
229.19548	3.6
231.20879	2.1
247.20624	3.8
249.22238	1.8
257.19025	5.5
259.20459	5.4
273.18457	1.9
275.19995	40.7
276.20398	6.7
277.21567	30.5
291.19421	2.9
293.21030	12.9
294.21677	1.7
295.22668	11.7
349.23761	17.0
350.23987	3.7
351.25156	13.6
352.25421	1.5
367.24686	5.8
369.26337	5.1
545.38580	2.3
551.41327	1.7
551.50104	1.5
563.38928	4.4
625.44489	6.7
643.45465	15.1
661.46893	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	661.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	0.8
55.01813	1.2
55.05420	2.5
60.25933	0.5
65.90360	0.5
67.05405	7.3
68.76356	0.5
69.03327	1.8
69.06958	2.0
70.06514	1.1
71.04887	2.8
71.70442	0.8
73.02856	0.5
79.05387	4.6
81.03304	2.0
81.06938	4.2
83.04868	3.3
85.02793	3.6
85.06466	1.3
87.04347	0.7
91.03844	0.6
91.05365	6.3
93.06931	6.3
95.04873	1.4
95.08593	7.8
97.02785	1.5
97.06435	1.5
101.05994	2.8
101.07018	0.7
103.03842	1.0
105.07010	4.2
107.04881	1.2
107.08558	2.9
109.02768	2.0
109.06432	0.8
109.10043	2.2
109.10725	0.6
110.07053	0.6
111.04327	2.6
113.05914	0.8
115.03834	0.7
117.06892	1.9
119.08569	6.7
121.02744	0.8
121.10030	2.4
123.07961	0.7
127.07495	0.6
129.05365	2.0
129.06891	0.9
129.10104	0.6
131.08446	1.5
133.10129	3.1
137.05855	2.1
137.09514	1.6
143.08456	1.1
147.06454	1.0
147.07901	1.8
147.11548	1.1
149.05910	1.3
151.07585	0.6
153.01703	2.6
155.04787	1.0
156.56540	0.6
159.11577	0.8
161.13136	1.2
167.06932	2.2
173.05801	0.9
173.13078	0.6
175.14801	3.8
181.04958	5.7
184.24037	0.7
185.13246	3.2
187.03757	0.8
197.05824	0.6
201.05362	1.4
203.14272	2.9
211.02188	0.7
211.03879	7.6
216.04002	0.6
219.02831	1.3
221.05934	1.6
221.15294	4.3
225.05365	2.6
229.04872	2.6
231.02834	0.7
237.05577	0.7
239.03355	2.0
239.16357	4.6
243.02890	1.1
243.06403	0.6
245.04367	2.6
253.05046	1.7
256.03610	1.0
257.04419	27.4
258.04831	0.8
260.03119	2.5
261.03870	11.4
263.01819	2.4
265.04895	1.1
267.02832	4.5
267.06396	1.1
271.03052	1.0
271.05884	5.1
273.03897	100.0
273.75095	0.6
274.04282	3.7
275.05457	0.6
277.04852	0.9
281.04355	1.8
283.05795	0.7
285.03906	89.7
286.04276	2.6
287.01831	3.3
287.05453	3.2
289.03403	5.1
295.05969	4.0
297.03906	9.1
298.04636	1.7
299.01849	2.9
299.05487	14.7
301.03445	0.8
303.04959	28.4
310.04791	0.7
311.05374	4.1
313.03415	1.0
313.07001	7.9
315.05045	1.0
323.05518	5.6
325.03470	1.1
327.04950	15.8
335.75885	0.6
339.04941	17.2
341.06638	2.0
351.04916	11.1
351.08813	0.9
357.06012	16.1
357.10318	1.0
369.05988	18.9
370.06503	0.7
387.07071	25.1
405.08096	23.5
415.14243	0.9
421.19247	1.6
464.42914	0.6
541.20551	2.9
601.24963	0.6
643.24866	1.1
661.26050	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	659.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30640	2.8
53.03924	10.8
55.01844	14.6
55.05502	31.0
57.03414	17.1
57.07059	4.6
62.66635	2.9
65.03925	5.6
67.05491	91.2
69.03406	4.8
69.07057	25.2
71.04965	5.5
71.70399	5.2
79.05479	62.3
80.06281	3.6
81.03381	12.5
81.07040	100.0
83.04971	18.6
83.08600	18.6
85.06518	6.1
91.05464	54.7
93.07029	60.3
95.04958	43.6
95.08588	51.7
97.06517	15.5
97.10152	5.4
99.08084	4.8
105.07016	48.9
107.04956	32.3
107.08582	37.9
109.06501	19.0
109.10146	26.5
111.04420	8.2
111.08087	4.7
112.05219	4.2
113.05924	5.6
115.05436	4.4
117.07018	18.5
119.08574	29.5
121.06483	8.8
121.10159	22.8
122.07240	8.7
123.08031	7.6
123.11674	7.4
125.09583	4.6
128.06123	5.2
128.29008	3.3
129.06973	8.4
131.08521	21.9
133.06447	7.5
133.08560	3.6
133.10117	22.3
135.08026	10.1
135.11670	16.7
137.09564	6.6
143.08513	5.9
145.06430	5.3
145.10081	22.0
147.07991	12.2
147.11673	15.9
149.09579	11.9
149.13150	4.1
155.08463	5.2
157.10034	4.4
159.11668	10.0
161.09586	15.6
161.13203	6.8
163.11084	9.1
165.12663	3.9
173.13142	5.2
175.11079	5.7
177.12747	6.3
187.11232	3.6
193.12320	3.4
199.10994	4.3
201.12689	3.9
205.15764	4.1
223.13220	11.5
233.15359	6.7
239.17938	3.2
257.19000	4.6
273.18399	7.5
275.20023	34.7
290.18756	7.8
293.21014	10.1
299.84866	4.0
307.18991	9.8
335.25772	56.4
349.23599	15.1
367.24695	5.1
374.70908	3.8
381.22629	10.7
489.35861	21.6
567.40588	4.4
595.39429	8.8
623.42505	4.7
641.44012	23.1
659.28680	16.9
659.44928	15.7
660.44855	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	659.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.80033	0.7
55.01865	10.7
55.05503	21.3
57.03428	5.9
57.07056	1.8
57.57450	0.7
65.03925	4.3
66.04693	0.8
67.05495	63.9
68.05812	1.0
69.03413	3.1
69.07056	25.3
69.64562	0.7
70.99030	1.9
70.99399	1.5
71.04971	3.7
77.03898	1.4
79.05479	48.6
80.05811	1.3
81.03398	5.4
81.07042	100.0
82.07380	2.4
83.04965	8.1
83.08607	14.7
85.02868	1.3
85.06521	4.9
91.05466	37.9
91.06040	1.8
92.05786	1.3
93.07028	39.0
95.04947	12.6
95.08591	36.1
95.09201	1.8
97.02827	1.0
97.06512	14.0
97.10146	5.6
99.08067	3.1
101.05973	0.8
105.04484	0.8
105.07011	41.7
106.07312	1.8
107.04941	12.8
107.08578	29.3
109.06503	20.4
109.10134	19.4
111.04412	1.3
111.08049	5.5
115.05393	1.4
117.07003	11.9
119.08559	30.2
120.08888	1.1
121.06487	4.6
121.10131	18.7
123.04453	1.2
123.08038	6.6
123.11680	7.9
125.09575	4.4
128.06146	1.2
129.07007	5.8
131.08540	14.6
133.06476	1.6
133.10107	21.0
135.08046	6.7
135.11659	8.1
137.09566	4.9
139.07518	1.0
139.11145	1.7
141.06927	1.7
142.07730	1.3
143.08524	3.6
145.06517	1.1
145.10109	15.5
147.08047	1.6
147.11664	24.4
148.12007	1.2
149.09605	13.7
149.13214	7.5
151.07559	0.8
151.11134	2.9
153.09027	1.0
155.08504	2.6
157.10100	3.5
159.08060	1.0
159.11682	12.2
161.09637	1.9
161.13214	4.9
163.11133	8.1
163.14832	2.3
165.09137	1.8
165.12735	6.8
168.09215	0.8
169.10097	2.5
171.10219	1.2
171.11656	4.4
173.09576	1.9
173.13226	5.3
175.11168	3.3
175.14816	2.0
177.12721	3.3
179.10716	0.9
179.14276	2.2
183.11700	2.3
185.13295	1.6
187.11131	1.7
187.14771	1.7
189.11172	3.7
189.12737	1.4
189.16417	1.0
191.14304	1.3
193.12164	1.9
195.13800	1.8
197.13228	2.2
201.16469	1.8
205.12134	0.9
205.15898	1.0
207.13835	1.6
211.14905	1.0
215.17996	1.1
219.17381	0.8
227.12741	4.4
229.19539	4.9
239.18074	3.8
247.20625	5.9
257.18933	9.7
269.17459	3.9
273.18472	2.3
275.20013	75.6
276.20425	2.5
277.21445	1.8
291.19498	2.0
292.19974	1.1
293.21036	11.4
331.22632	1.9
349.23703	28.8
350.23990	1.5
367.24731	12.5
463.30441	6.4
567.40131	1.4
573.91235	0.9
623.42657	6.7
641.43854	11.0
642.44208	1.0
652.27795	0.9
659.45392	10.8
660.45087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03931	4.1
55.01864	19.3
55.05503	30.5
57.03429	6.9
57.07071	1.1
65.03925	3.9
67.05494	64.7
67.11897	1.0
68.05843	1.4
69.03403	3.9
69.06684	2.0
69.07058	30.1
69.96772	5.5
71.04973	5.4
77.03894	1.4
79.05482	58.6
81.03394	4.3
81.07044	100.0
82.07387	1.0
83.04968	11.3
83.08601	20.0
85.02867	1.2
85.06519	4.4
91.05465	47.7
91.06039	2.3
93.07027	45.1
95.04395	1.8
95.04953	22.2
95.05514	1.8
95.08591	39.7
95.09200	2.2
97.06515	24.4
97.10141	10.1
99.04430	1.5
99.08063	3.3
105.04494	1.0
105.07014	50.1
106.07305	1.5
107.04935	19.6
107.08575	33.4
109.06499	20.4
109.10141	16.8
111.04445	3.3
111.08055	8.3
113.09617	1.4
115.05429	1.6
117.07011	15.9
119.08560	35.4
121.06510	5.5
121.10120	21.7
123.08050	8.1
123.11679	9.7
125.09610	10.5
128.06158	1.1
129.07008	5.2
131.08537	20.0
133.06483	1.8
133.10104	26.5
135.08028	8.3
135.11664	8.9
137.09575	6.8
139.11163	2.2
141.06966	2.4
142.07675	1.2
143.08554	5.0
145.06441	1.1
145.10101	21.8
147.08029	1.5
147.11658	26.2
149.09589	27.4
149.13208	7.8
151.11147	4.0
153.09105	1.4
155.08514	2.2
157.10103	7.2
159.08029	1.6
159.11661	14.6
161.09621	3.1
161.13261	6.5
163.11165	15.1
163.14809	2.0
165.09023	1.2
165.12769	4.9
169.10138	3.4
171.10283	1.4
171.11600	5.1
173.09590	1.5
173.11908	1.2
173.13271	8.2
175.11186	3.0
175.14798	2.4
177.12701	4.4
179.14302	2.1
181.12212	1.7
183.11699	3.4
185.13263	2.6
187.11133	2.4
187.14806	2.4
189.11160	4.3
189.12703	2.4
191.14377	1.9
193.12219	3.1
197.13206	3.3
199.14812	2.3
201.12692	2.2
205.12125	1.4
207.13641	1.5
215.14386	1.5
219.13838	1.2
223.13216	7.0
227.12723	5.2
229.19495	4.7
233.15334	1.6
239.17941	5.2
241.58623	1.1
247.20595	7.3
253.17978	1.2
257.18945	13.4
259.20483	1.8
267.15848	2.0
275.20016	94.2
276.20386	2.6
277.21503	1.7
291.19461	1.9
293.21112	15.8
331.22699	1.8
349.23676	47.3
350.23907	2.6
367.24756	17.6
478.16769	1.2
515.37561	1.1
529.34290	1.2
537.34601	1.1
553.20563	1.3
581.20111	2.6
613.22485	1.4
623.43030	9.1
641.21997	4.1
641.43823	13.2
654.79504	1.2
659.45044	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	659.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01868	7.0
55.05504	15.4
57.03429	4.1
57.07050	1.2
65.03930	3.2
67.05494	41.1
68.52891	0.7
69.03413	1.6
69.07053	20.6
71.04985	3.9
79.05480	35.3
81.03401	3.3
81.07042	100.0
81.97266	0.8
82.07382	1.7
83.04969	5.0
83.08607	13.3
85.06533	3.2
91.05463	32.3
93.07028	27.4
95.04948	11.6
95.08588	25.8
95.09200	1.3
97.06519	8.2
97.10157	2.0
99.08073	2.7
103.05471	1.0
105.07014	32.5
107.04947	6.9
107.08572	18.1
109.06499	20.8
109.10133	10.3
111.04413	0.8
111.08074	4.1
117.07010	7.2
119.08560	25.4
121.06461	4.1
121.10123	17.7
123.08057	7.4
123.11691	12.3
125.09606	2.3
127.07557	1.1
129.07005	2.4
131.08548	11.5
133.06506	1.2
133.10110	15.2
135.08044	3.3
135.11661	5.7
137.09583	4.3
137.13232	2.3
139.11127	1.3
141.09097	1.0
142.07816	1.1
143.08559	1.7
145.06479	0.9
145.10112	11.0
147.07967	1.1
147.11658	26.7
149.09605	9.6
149.13237	6.8
151.11160	2.8
157.10158	2.7
159.11649	7.9
161.09631	2.3
161.13295	3.0
163.11118	5.9
163.14804	2.5
165.12737	8.9
169.10135	0.9
171.11673	1.5
173.13266	5.3
175.11182	3.1
175.14838	1.2
177.12723	2.4
179.14273	2.1
183.11699	1.7
185.13289	1.5
187.11163	0.9
187.14771	1.4
191.14311	0.8
193.12253	2.3
197.13182	1.1
201.12761	0.9
207.13866	1.0
214.94086	0.7
219.13614	0.8
223.13292	0.9
229.19458	3.8
239.17905	2.9
247.20586	4.2
257.18933	6.4
267.15982	1.2
275.20013	60.1
291.19003	1.0
293.21060	11.6
316.13928	0.7
331.22552	0.8
349.23676	24.5
367.24710	7.6
487.31598	0.8
623.42792	2.7
641.44012	7.2
659.23022	3.5
659.45074	17.6
660.22650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.5
53.03941	5.6
54.48077	0.9
55.01862	13.2
55.05499	36.8
57.03429	5.6
57.07061	2.2
65.03922	3.9
67.05492	56.6
69.03407	3.8
69.07057	28.6
69.93602	6.2
71.04979	6.4
77.03911	1.5
79.05477	50.0
79.97720	0.9
81.03397	5.5
81.07040	100.0
82.07358	1.7
83.04967	14.3
83.08604	22.6
85.02869	3.4
85.06512	4.4
91.05460	44.6
93.07024	40.2
95.04948	47.6
95.08586	34.7
97.06506	10.9
97.10146	8.8
99.04446	7.1
99.08064	3.1
103.05468	1.3
105.07008	42.2
106.07321	1.1
107.04935	10.8
107.08567	35.3
109.06499	22.8
109.10147	15.4
111.04424	10.4
111.08058	8.8
113.05986	1.3
117.06998	12.6
119.08554	32.3
121.06488	6.2
121.10116	25.1
123.08054	7.9
123.11704	10.2
125.09590	9.1
129.06978	4.7
130.07739	1.0
131.08546	18.8
133.06424	1.7
133.10109	21.9
135.08046	4.7
135.11679	9.9
137.09547	5.1
139.11156	2.9
141.06909	1.8
143.08531	4.3
145.06493	1.4
145.10094	20.4
147.07993	3.4
147.10565	2.0
147.11653	22.7
149.09590	22.3
149.13199	6.8
151.11107	3.8
153.09074	1.7
153.12721	3.3
155.08586	1.1
157.10110	4.7
159.08003	1.5
159.11671	12.1
161.09566	2.8
161.13225	4.4
163.11157	21.9
163.14845	2.2
165.12747	9.5
166.68309	1.1
169.10094	2.9
171.10249	1.6
171.11661	3.9
173.09599	1.9
173.11766	2.0
173.13239	7.0
175.11208	5.1
175.12469	1.0
175.14716	1.7
177.12750	3.7
179.14256	1.7
181.12172	1.3
183.11627	3.2
183.13777	1.0
187.11180	2.8
187.14674	1.2
189.11192	7.8
189.12688	1.7
191.10550	1.1
191.14323	2.0
193.12189	2.9
197.13188	2.7
205.12224	4.1
211.13031	1.2
215.17934	1.5
217.65491	1.2
219.13806	1.1
223.13232	35.9
224.83240	1.0
227.12720	2.2
229.19545	5.6
233.15314	1.1
237.14714	1.4
238.43015	1.2
239.17879	3.5
247.20468	6.3
257.18997	6.3
267.15610	1.3
275.20010	90.0
276.20294	3.1
291.19501	2.3
293.21057	32.1
349.23679	28.9
367.24695	11.9
563.44275	1.2
567.40033	1.7
623.43347	5.9
641.44019	13.1
642.44324	1.6
659.45093	25.4
660.44843	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	659.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01864	20.3
55.05233	2.5
55.05502	42.6
56.37844	1.2
57.03431	7.8
57.03663	1.2
57.07058	3.9
57.85025	1.1
61.02908	4.4
65.03935	3.5
65.50213	1.1
67.05495	60.1
69.03405	4.3
69.07058	28.5
70.55058	4.4
71.04993	6.3
73.02896	2.0
76.57646	1.0
79.05481	63.0
80.05804	1.8
81.03404	4.5
81.07043	78.5
82.07362	2.6
83.04968	10.3
83.08604	24.9
85.02879	5.8
85.06534	3.9
91.03935	2.5
91.05466	49.7
93.06432	2.4
93.07030	51.5
95.04953	32.9
95.08593	37.5
97.02869	5.3
97.06518	21.7
97.10151	13.0
99.04443	3.6
99.08083	3.3
103.05431	1.7
105.07011	51.8
107.04935	20.0
107.08575	40.0
109.02845	1.7
109.06496	16.8
109.10131	18.0
111.04427	5.0
111.08056	7.3
115.05434	1.9
117.07005	17.5
118.48183	1.2
119.08563	37.1
120.08893	1.3
121.06451	7.5
121.10123	17.7
123.08028	8.3
123.11695	6.6
125.09607	11.8
128.06198	2.1
129.06984	7.0
131.08539	21.8
133.06473	2.3
133.10106	23.9
135.08025	8.3
135.11668	11.9
137.05962	1.3
137.09627	5.9
137.13269	1.2
139.11180	2.3
141.06947	1.9
142.07779	1.4
143.07494	1.2
143.08470	5.5
145.06410	1.5
145.10107	22.5
147.08037	3.2
147.11668	21.7
149.09589	35.0
149.13278	5.5
151.11162	4.4
151.12334	1.1
151.94934	1.1
153.12762	1.3
155.08508	4.4
157.10104	4.3
159.11684	13.6
161.09628	2.7
161.13216	7.0
163.11160	23.0
163.14832	1.7
165.09021	2.0
165.12746	5.6
169.10143	3.6
171.10320	1.3
171.11696	6.2
171.68196	1.2
173.09573	2.1
173.11856	1.2
173.13219	6.7
175.11159	3.7
175.14783	1.9
177.12718	3.9
179.14262	3.9
181.12228	1.6
183.11742	3.9
185.13322	3.3
187.11133	4.9
187.14828	2.9
189.11191	9.1
189.12735	2.5
191.14302	1.6
195.11784	1.3
197.13283	4.0
205.12201	2.9
213.16272	1.4
215.17859	1.9
223.13246	19.8
227.12726	11.9
229.19472	4.8
233.15361	1.5
239.17984	5.1
247.20578	4.5
257.18951	13.5
259.20508	1.7
261.22086	1.4
273.18423	3.4
275.20020	100.0
276.20346	3.0
277.21341	2.1
291.19531	4.7
292.19989	2.6
293.21057	20.2
331.22574	3.6
335.25897	3.0
349.23654	44.4
350.24051	2.1
367.24765	18.1
512.17065	1.4
519.33301	1.8
537.34326	1.6
549.39362	1.5
581.20380	1.8
623.42780	9.6
641.22034	4.7
641.44061	20.4
642.44373	2.2
659.45123	9.4
663.26477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.1
55.01868	19.0
55.05503	59.1
57.03428	7.1
57.07059	2.5
65.03939	4.1
67.05135	2.8
67.05495	56.5
69.03446	2.7
69.07055	35.0
69.47751	1.4
69.48082	14.1
70.07365	1.3
71.04978	9.3
79.05017	3.1
79.05479	63.0
81.03406	9.8
81.07045	67.5
82.07412	1.6
83.04972	26.8
83.08609	42.9
85.02881	9.6
85.06535	5.0
87.04374	1.5
91.05467	48.4
93.07030	62.6
95.04955	95.2
95.08593	43.0
97.06518	13.0
97.10163	20.6
99.04446	16.0
99.08096	3.9
105.07013	49.6
105.07721	2.7
107.04950	16.8
107.08577	59.1
108.08904	1.7
109.06503	21.6
109.10138	20.1
111.04425	28.3
111.08048	12.1
113.05991	3.0
115.05437	3.2
117.07011	16.7
119.08573	40.0
121.06497	10.4
121.10126	34.3
123.04359	1.7
123.08041	15.0
123.11694	6.5
125.06010	1.7
125.09612	20.3
129.07004	7.6
131.08554	26.4
133.06482	2.6
133.10118	29.6
133.11134	1.5
135.08022	10.4
135.11684	16.0
137.09630	5.2
139.07573	1.9
139.11194	5.3
141.06924	3.5
141.09154	1.8
143.08543	6.9
145.06470	1.8
145.10110	34.6
147.08043	9.5
147.11664	22.0
149.09596	43.0
149.13228	4.2
151.11185	2.2
153.09109	2.4
153.12738	4.0
155.08514	3.5
157.10081	6.5
159.08104	1.8
159.11652	17.3
161.09641	3.4
161.13219	10.4
163.11159	44.3
164.11603	1.6
165.09082	2.4
165.12746	4.5
167.08511	2.1
169.10132	4.5
171.10155	2.0
171.11687	6.0
173.09605	2.9
173.11836	2.8
173.13271	6.4
174.54045	1.5
175.11192	4.0
175.14830	3.5
177.12701	7.2
181.12221	4.6
183.11795	3.7
185.13242	2.8
187.11201	6.2
187.14841	1.6
189.11205	18.0
189.12714	1.6
191.10588	1.9
191.14252	1.9
193.12204	3.6
197.13287	4.0
199.14758	2.6
203.14334	2.0
205.12204	10.1
207.13759	1.9
211.13251	3.3
215.14420	1.4
215.17937	2.4
223.13260	100.0
224.13570	2.0
227.12785	5.1
229.19522	5.9
239.18095	6.7
241.19579	4.8
247.20656	4.6
257.18951	18.1
259.20697	8.9
273.18488	2.9
275.20026	97.1
275.58307	1.7
276.20404	3.4
291.19489	9.2
292.20245	1.5
293.21082	55.7
315.23102	1.6
331.22595	1.9
333.24335	6.9
349.23672	31.6
365.23041	2.0
367.24774	13.9
513.35730	1.8
543.37006	2.0
545.62769	1.5
585.01978	1.5
623.42944	8.7
641.44025	17.7
659.45099	64.9
660.44879	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	659.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19993	1.2
53.03923	5.4
55.01866	10.6
55.05503	25.2
56.07936	1.2
57.03426	14.8
57.07059	2.8
61.02607	2.5
61.02916	40.9
63.60733	1.2
65.03916	4.4
67.05494	51.7
69.03420	13.7
69.06686	1.6
69.07059	22.7
70.12707	3.0
70.13119	5.4
71.01337	1.9
71.04975	5.5
73.02901	12.3
79.05487	43.5
81.03419	13.2
81.07043	100.0
82.07375	1.9
83.04973	6.4
83.08611	13.4
85.02888	42.7
85.06531	3.2
91.03944	25.3
91.05463	38.3
93.07030	38.3
95.04956	20.2
95.08594	42.7
97.02874	33.7
97.06511	12.2
97.10136	4.2
98.03178	1.8
99.04443	6.6
99.08086	2.5
101.02361	3.0
103.03939	4.4
105.07011	37.1
107.04922	7.0
107.08572	26.2
109.02876	6.6
109.06499	20.0
109.10152	14.5
111.04405	2.0
111.08056	5.5
115.03941	3.3
115.05441	2.0
117.06972	9.0
119.08557	28.2
120.66287	1.4
121.06473	3.2
121.10125	20.0
122.96342	1.4
123.08047	6.7
123.11710	10.7
125.09554	3.5
127.03909	16.2
129.05461	3.6
129.06998	5.5
131.08533	12.5
133.10110	18.8
135.08037	4.1
135.11671	9.5
137.06015	1.6
137.09604	2.8
137.13271	2.5
140.40312	1.2
141.07025	2.0
143.08530	2.9
145.04945	11.1
145.10106	16.5
147.08026	1.9
147.11661	20.7
149.09647	10.3
149.13252	9.5
151.07523	1.4
151.11238	1.9
153.08986	1.4
157.10088	5.9
159.11668	11.5
161.09579	2.9
161.13210	4.6
163.05952	2.7
163.11131	6.7
163.14777	3.3
165.12730	5.9
169.10115	3.4
171.11639	2.9
173.09676	1.4
173.13274	5.6
175.11194	3.1
175.14784	3.0
177.12732	2.9
179.14296	1.9
183.06552	3.1
183.11649	3.9
185.13237	2.7
187.14793	4.0
201.07570	3.2
207.13895	1.8
223.13242	1.9
227.12726	2.2
229.19427	2.5
239.17992	2.2
243.21178	1.5
247.20511	4.7
257.19037	6.7
259.39935	1.4
261.22083	5.8
275.20007	44.7
276.20502	3.0
293.21078	11.7
335.25797	27.1
336.25931	1.8
349.23676	17.0
367.24673	6.7
479.30411	1.9
514.00244	1.5
623.42615	4.1
641.44281	7.3
659.45038	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	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
54.37079	0.7
55.01861	5.4
55.05501	13.2
56.96560	14.5
57.03403	3.8
57.07060	1.0
65.03919	1.8
67.05496	28.1
68.05836	0.8
69.03411	2.1
69.07061	12.8
70.31161	4.0
71.04961	1.8
71.95235	2.7
72.96016	0.8
79.05482	26.5
80.05787	1.4
80.09681	0.7
81.03371	3.3
81.07044	38.3
83.04973	5.1
83.08245	0.7
83.08604	7.9
84.96003	1.0
85.02898	1.4
85.06511	2.1
91.04939	1.5
91.05467	22.3
93.07031	22.8
94.07324	1.2
95.04958	8.9
95.08597	15.9
96.05256	0.8
96.08938	1.0
97.06516	7.1
97.10150	5.2
97.96797	3.3
99.08050	2.6
105.07017	19.9
106.07310	1.9
107.04938	7.2
107.08576	18.5
108.08934	1.3
109.06518	7.1
109.10134	9.6
110.06833	1.0
110.97540	1.7
111.04420	2.1
111.08033	3.7
113.05991	1.1
115.97768	1.6
117.07018	6.2
119.08569	15.7
121.06454	3.0
121.10126	8.2
123.08061	4.7
123.11641	2.5
125.09576	3.4
128.98543	3.2
129.06931	3.9
131.08549	10.8
132.08836	0.9
133.06400	1.9
133.10106	10.7
133.98802	1.1
134.10526	1.3
135.07991	4.8
135.11630	3.8
136.11806	0.8
137.09560	2.9
141.06938	2.4
142.07744	1.3
143.08485	2.8
145.06413	1.1
145.10101	8.9
146.99648	4.4
147.07970	1.2
147.11681	9.5
148.00308	1.1
148.11923	0.9
149.09607	7.4
149.13188	2.9
151.11137	1.5
153.12636	1.4
155.08551	2.1
157.10077	3.9
159.11710	6.1
161.09575	1.6
161.13165	3.0
163.11150	5.4
163.14836	1.1
165.00682	1.1
165.09096	1.0
165.12657	3.2
169.10057	1.8
171.03241	1.8
171.11620	2.7
173.11777	1.1
173.13184	3.2
175.11082	2.5
177.12654	1.8
179.14221	1.1
181.10220	1.0
181.12204	1.4
183.11583	1.8
184.11935	1.2
185.04788	2.6
185.13199	2.2
187.02806	1.2
187.14732	1.5
189.04280	2.1
189.11125	3.1
193.12064	1.1
197.13188	1.9
198.05554	2.0
199.02690	1.8
199.06313	2.3
199.14644	1.0
201.04337	1.7
203.05826	3.8
205.07445	1.4
207.13544	1.1
209.13324	1.0
213.04349	1.1
213.07913	4.4
216.03023	1.4
216.06673	1.5
217.07341	3.2
223.02753	1.2
223.08276	1.6
223.10201	1.8
223.13110	2.1
225.07881	1.2
226.08875	1.1
227.05771	1.8
227.09496	1.7
227.12726	3.3
231.08977	6.3
235.14880	1.2
237.04227	1.6
239.09552	6.5
239.17757	1.5
241.07324	1.8
241.11092	33.0
242.08150	3.9
245.10593	1.6
247.20351	1.4
251.09566	1.4
253.10982	2.8
255.09021	1.5
255.17607	1.0
257.10632	5.3
257.18707	3.1
259.12155	41.6
259.14890	2.2
260.09262	1.1
264.12637	3.6
267.08905	3.0
269.10571	5.2
269.17206	1.1
273.18262	2.7
274.18713	2.0
275.20026	21.6
276.20297	2.1
277.21387	3.6
279.08954	1.9
280.09686	3.4
282.13611	3.2
283.11142	1.0
285.09958	1.3
287.11533	2.3
291.19458	3.8
292.19873	2.0
293.21109	4.9
295.22766	2.0
297.09958	5.6
298.10794	5.5
298.13522	1.0
303.16565	1.1
307.15512	2.3
316.11734	2.5
321.12283	0.8
325.16782	1.2
331.15750	9.0
349.16812	67.2
349.23352	12.8
350.17151	1.6
350.23932	1.6
351.25003	1.5
352.36563	1.0
367.17877	100.0
367.24332	5.1
368.18094	3.5
372.18265	3.1
385.18890	5.8
390.19458	23.6
462.29474	1.3
543.36395	2.0
561.37775	1.5
623.42072	2.9
641.44495	7.0
659.37549	36.6
660.37878	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	659.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01863	8.8
55.05503	18.9
55.31985	0.8
57.03427	26.5
57.07061	1.7
58.03751	0.7
59.04979	1.7
61.02915	83.6
65.03919	3.4
67.01835	0.7
67.05492	50.2
69.03414	36.3
69.07054	16.0
70.31071	4.1
71.01340	4.4
71.04978	5.6
71.08619	0.9
73.02905	25.5
73.03314	1.3
75.04466	1.7
75.87530	0.8
79.05482	36.5
79.64113	0.7
81.02943	1.1
81.03407	23.7
81.07041	55.3
82.07332	0.9
83.01335	1.3
83.04966	8.4
83.08617	9.9
83.77792	0.8
84.08017	0.8
85.02890	100.0
85.06512	2.0
87.04453	3.8
91.03941	59.6
91.05462	26.4
93.07026	43.2
95.04391	1.2
95.04952	13.4
95.08591	39.7
97.02875	78.5
97.06501	7.1
97.10115	5.1
99.04439	14.3
99.08060	2.8
101.02370	7.7
103.03922	8.5
103.05436	1.4
105.07008	23.3
107.04939	6.2
107.08576	26.3
109.02863	12.5
109.06507	7.8
109.10133	16.2
111.04421	4.6
111.08039	3.0
113.05979	1.0
113.09552	1.0
115.03931	6.1
115.05399	1.1
117.05475	2.3
117.07006	9.3
119.08562	16.6
120.19619	0.8
121.06489	1.9
121.10117	19.0
123.04394	0.8
123.08069	2.5
123.11668	6.5
123.46569	0.8
123.85262	0.8
125.09623	3.2
126.41559	0.8
127.03892	32.9
129.05476	5.0
129.06978	4.4
131.08543	13.9
133.06439	1.3
133.10098	14.3
135.08020	3.2
135.11670	13.3
137.05920	1.2
137.09586	2.0
137.13211	2.0
143.03287	0.9
143.08549	2.9
145.03828	1.4
145.04930	22.5
145.10085	12.9
147.06435	0.9
147.07990	1.2
147.11655	11.4
149.09604	7.5
149.13246	6.4
151.11125	1.6
153.12691	1.1
155.07089	1.1
155.08505	1.8
157.10107	2.6
159.06499	2.4
159.08020	0.8
159.11684	8.6
161.09570	1.8
161.13229	6.9
163.05974	7.0
163.11125	4.7
163.14786	3.8
165.12781	1.2
169.10133	2.0
171.06480	1.3
171.11646	3.3
173.09575	1.2
173.13248	8.3
175.11124	1.1
175.14827	2.1
177.12770	1.1
177.16362	1.6
181.10144	0.9
181.11993	0.8
183.06503	6.5
183.11658	2.2
185.13188	3.7
187.14763	3.8
189.11182	2.5
189.12737	1.3
189.16208	1.2
191.14339	1.6
195.11583	1.0
197.13210	1.6
199.14767	1.4
201.07594	5.4
201.12790	1.0
201.16376	1.6
203.14218	1.6
205.15698	1.3
209.13316	1.0
211.14795	1.6
215.18059	0.9
219.17319	2.2
221.13255	1.1
223.13145	4.6
227.12666	1.8
229.19414	0.9
239.17952	1.7
241.19624	1.0
243.20992	4.5
257.19049	2.4
259.20490	3.7
261.22104	15.7
273.18451	1.1
275.17154	1.5
275.20029	19.7
277.21536	1.6
279.23035	1.5
291.19403	2.2
293.21161	5.2
301.21640	1.7
303.23184	2.3
313.21555	1.2
315.23117	1.0
327.23041	1.9
333.24167	2.5
335.25757	62.7
336.26047	1.0
341.25052	0.9
349.23700	9.6
351.23096	1.5
363.25101	2.8
367.24631	2.4
369.24106	1.8
377.26889	1.5
443.27856	1.9
461.28708	2.2
479.29922	6.1
497.31223	1.7
623.42499	3.4
641.43884	5.7
659.44684	3.3
667.90509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.1
55.01854	8.6
55.05500	16.3
55.67188	1.8
57.03423	25.9
57.07059	3.5
59.04960	2.6
61.02914	92.6
66.50433	1.6
67.05137	2.9
67.05493	59.4
69.03417	41.1
69.07061	15.3
69.43803	10.6
69.44228	7.9
70.06569	3.2
71.01345	3.9
71.04967	6.8
73.02899	31.2
75.04471	2.0
77.03882	2.2
79.05477	37.8
81.03400	26.2
81.07039	63.0
83.01309	2.3
83.04966	6.2
83.08611	8.9
85.02887	100.0
85.06516	2.1
87.04428	5.3
91.03938	62.9
91.05463	33.2
91.23595	1.7
93.07028	47.7
95.04958	9.7
95.08584	46.8
97.02869	84.9
97.06484	4.5
97.10151	5.0
98.20700	2.5
99.04424	13.1
99.08086	3.3
101.02351	10.8
103.03909	8.0
105.07012	25.0
107.04929	4.9
107.08575	24.6
109.02869	11.7
109.06492	6.0
109.10131	18.6
111.04443	4.1
111.08021	2.7
113.09592	2.8
115.03909	6.8
117.07001	12.6
119.04904	1.8
119.08556	17.8
121.06490	3.5
121.10133	18.3
123.08012	2.3
123.11663	6.2
125.09637	3.2
127.03886	34.0
129.05463	4.8
129.06949	7.9
131.08551	19.3
133.10112	15.0
135.08022	4.4
135.11670	15.8
137.05884	2.6
137.13255	3.9
141.06976	3.2
143.08517	7.2
144.09370	1.8
145.04930	24.9
145.06432	3.7
145.10091	16.1
147.08031	3.0
147.11624	8.5
149.09505	3.6
149.13220	11.0
153.12828	2.6
155.08539	4.1
157.06569	1.8
157.10057	5.5
159.06470	3.2
159.08061	2.5
159.11667	11.3
161.13274	9.3
163.05980	4.3
163.11194	3.4
163.14803	7.6
165.12708	1.8
169.10115	2.5
171.08002	1.7
171.11635	5.1
173.11870	2.8
173.13181	11.3
175.14845	4.1
177.12759	4.3
183.06480	6.0
183.07945	2.0
185.13292	4.1
187.11136	2.4
187.14784	7.9
189.12724	3.5
189.16487	2.4
199.14748	4.6
201.07552	3.9
201.16341	3.7
209.13342	1.9
213.12663	2.0
213.16309	2.0
215.14143	2.5
233.22620	2.6
239.14487	1.9
243.21057	11.6
259.20480	2.5
261.22107	26.3
271.16721	1.9
273.22086	4.9
275.20288	2.9
275.23676	3.5
279.23157	3.4
285.22153	3.7
297.21991	2.6
301.21542	1.9
303.23206	6.3
315.23203	5.7
317.24701	4.3
327.23035	4.3
332.80807	2.2
333.24014	3.0
335.25699	41.4
341.24646	3.8
351.23083	5.2
359.25687	2.8
363.25229	3.9
365.26746	2.5
369.24188	10.8
377.26733	6.5
387.25079	3.7
389.26733	2.1
405.26291	2.5
415.28275	2.1
419.27640	3.9
425.26767	2.7
431.28055	4.8
443.27893	17.1
461.28943	11.7
463.26669	2.2
479.29932	12.5
497.30743	4.8
501.79419	2.0
659.35101	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	47.1
57.03443	15.7
60.54115	15.5
64.03126	14.3
67.05490	77.0
69.07059	32.2
70.40005	68.6
72.66357	15.1
78.09058	16.3
79.05470	52.3
81.07037	100.0
83.04946	19.7
83.08598	33.6
89.06027	26.8
91.05460	57.6
93.07026	49.8
95.04936	28.8
95.08581	41.9
97.06511	25.9
97.10135	18.7
105.07000	47.6
106.45549	14.4
107.08586	27.4
109.06496	18.9
109.10130	32.0
117.07015	31.3
119.08553	47.9
120.78641	15.7
121.10096	18.3
131.08559	18.1
133.10080	25.2
135.11632	19.9
143.08546	15.7
145.10120	30.1
149.09579	19.5
159.11635	17.1
163.11092	18.8
263.78311	17.8
275.20016	41.5
279.73663	14.5
293.21030	24.3
311.25601	21.5
659.21844	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01865	9.9
55.05506	27.0
57.03426	11.3
57.07062	4.4
59.04992	2.4
65.03937	4.6
67.05495	61.0
69.03418	4.2
69.07063	28.9
71.04985	30.3
73.06554	1.8
77.03897	1.2
77.54575	1.4
79.05482	62.3
81.03394	6.8
81.07045	100.0
82.07406	1.2
83.04976	5.9
83.08607	15.0
85.02895	2.2
85.06531	4.9
91.05466	69.6
92.32684	1.1
93.07033	65.8
95.04951	17.7
95.08596	47.3
97.02888	1.4
97.06516	12.8
97.10177	5.2
97.38012	1.1
98.20566	2.4
99.08083	5.4
103.05460	3.0
105.04568	2.2
105.07017	73.9
107.04951	10.4
107.08576	41.8
109.06499	18.0
109.10142	19.8
111.04434	10.6
111.08092	5.8
113.09651	6.7
115.05484	3.4
116.06335	1.4
117.07003	22.2
117.07786	1.6
119.08567	55.1
121.06498	7.6
121.10132	25.8
121.10981	1.9
123.08038	11.3
123.11679	7.6
125.05940	1.6
125.09631	4.3
128.06212	1.7
129.05513	2.5
129.06966	12.7
129.07658	1.1
131.08543	33.2
131.09450	2.1
133.06461	2.8
133.10110	45.8
135.08046	8.5
135.11679	18.0
137.09602	6.3
139.11174	2.5
141.06972	3.3
141.09064	1.4
142.07823	1.3
143.08557	10.6
145.06549	1.5
145.10101	29.7
147.08043	4.6
147.11671	41.5
149.09604	12.9
149.13239	12.1
151.11191	5.5
155.08519	2.9
156.09406	1.3
157.10083	10.2
159.11684	21.9
161.09660	4.2
161.13246	20.9
163.11183	8.5
163.14870	3.0
165.09068	1.9
165.12740	6.1
167.10657	2.1
169.10091	3.6
171.11646	11.3
173.09668	2.1
173.13252	12.9
175.11288	3.3
175.14784	12.4
177.12778	3.8
179.14337	1.9
181.10172	2.9
181.12254	1.4
183.11725	2.2
185.13216	10.1
187.11191	3.2
187.14876	5.1
189.12788	3.1
189.16324	1.9
191.14355	2.1
193.12265	1.3
195.13800	1.6
197.13322	2.3
199.14795	6.5
201.16418	2.1
207.13681	1.3
209.13281	2.0
211.14841	1.8
215.17979	3.1
217.19633	2.4
223.13084	1.5
229.19551	3.1
231.17616	1.5
231.21022	3.0
239.17905	3.2
241.19479	22.2
245.19116	1.5
247.20607	3.5
253.14426	2.0
257.18948	8.6
259.20538	42.0
273.18637	6.5
275.20032	46.9
276.20337	2.1
277.21667	4.0
289.21512	2.4
291.19525	15.4
293.21158	3.5
297.22018	1.6
307.22626	21.3
315.23123	5.8
331.22794	1.7
333.24197	44.3
347.22293	2.1
349.23663	12.8
351.25555	1.5
355.30096	1.2
365.23468	3.6
381.26337	16.4
392.19366	1.3
409.23230	1.6
435.21292	4.0
436.22070	2.5
437.22433	3.1
448.22531	1.6
464.21152	2.5
477.21844	1.5
501.35553	5.8
515.38184	2.5
523.26263	4.4
533.39954	3.8
539.38367	1.3
550.25037	1.5
551.25781	8.4
551.40466	1.9
587.91559	1.4
597.29938	5.5
605.93896	1.5
607.43719	5.2
611.27386	4.9
625.27832	1.4
625.45032	8.5
625.53796	1.9
639.43500	11.2
657.31750	55.2
657.43567	4.1
658.31604	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	657.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.9
55.01855	17.0
55.05499	85.3
56.63895	4.5
56.71393	4.1
57.03416	9.6
57.07061	5.1
59.84991	5.1
67.05145	6.8
67.05493	100.0
69.03395	4.8
69.07056	49.1
71.04959	14.4
71.71507	5.6
76.20166	3.9
79.05473	78.2
80.84415	4.2
81.03397	13.4
81.06609	6.3
81.07047	98.6
83.04955	17.8
83.08602	51.3
85.06520	11.4
90.65212	5.3
91.05452	74.1
91.05970	7.0
93.07028	76.3
95.04947	37.9
95.08588	62.2
95.43803	4.5
97.06504	11.5
97.10136	13.1
101.81224	4.5
105.06998	87.4
107.04922	15.8
107.08585	49.2
109.06497	16.0
109.10123	25.6
111.04437	6.3
111.08057	7.3
115.05476	4.9
117.06973	36.5
119.08566	61.2
121.06488	8.7
121.10137	30.8
123.08041	11.1
123.11652	8.6
125.09585	12.8
129.06972	23.2
131.08536	43.1
133.06451	5.7
133.10115	38.9
135.08002	6.9
135.11658	19.1
137.09619	5.9
139.11119	6.3
141.06946	5.5
143.08568	23.6
145.10086	52.3
147.11624	36.7
149.09581	20.3
149.13248	12.8
155.08540	13.2
157.10136	23.3
159.11693	33.6
161.13246	25.4
163.11172	15.5
163.14751	5.8
165.12721	7.3
169.10052	13.4
171.11618	21.3
173.13203	22.2
175.11214	5.6
175.14801	10.7
179.14156	5.5
181.10066	10.6
183.11693	12.1
185.11674	5.4
185.13199	20.9
187.14720	9.1
189.12651	6.3
194.14272	4.7
195.11630	9.0
197.13216	16.2
199.14792	10.0
209.13196	7.9
211.14761	10.2
213.16327	9.1
215.17810	4.6
216.79446	4.5
221.13191	7.7
222.05524	4.3
223.13173	7.8
229.19574	5.4
239.17946	6.9
241.19487	23.7
257.18921	17.1
259.20544	32.7
273.18466	14.6
275.20004	43.7
277.21704	7.3
291.19446	20.5
293.21051	11.6
308.84344	5.0
315.23090	6.8
333.24295	31.1
335.25842	6.4
349.23846	26.4
365.23105	6.1
423.32285	6.6
497.36298	8.7
499.34076	16.5
533.39484	6.2
588.17102	4.9
607.43274	35.9
625.27008	5.2
625.44489	93.1
639.44287	14.6
657.43616	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	657.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.8
53.03941	4.4
55.01860	6.2
55.05503	26.8
57.03434	9.9
57.07064	3.6
57.83499	0.8
59.04977	2.9
65.03928	4.1
65.45290	0.8
67.05495	61.4
69.03414	3.6
69.07059	26.2
71.04983	34.2
73.06539	1.2
77.03912	1.2
78.95795	0.9
79.05482	68.2
81.03417	6.6
81.07046	100.0
82.07368	1.3
83.04977	6.8
83.08601	13.8
85.06527	5.5
87.18044	0.8
89.06016	1.0
91.05468	75.3
92.04835	0.8
92.05830	1.6
93.07031	64.6
94.04162	0.9
95.04385	1.7
95.04953	15.4
95.08594	46.6
97.06513	10.8
97.10160	4.8
99.04460	1.4
99.08044	5.3
103.05450	2.9
105.04517	1.2
105.07015	74.2
106.07314	1.1
107.04926	10.1
107.08577	38.5
109.06510	21.4
109.10136	18.4
111.04422	14.8
111.08061	6.3
111.11703	0.9
113.09624	5.9
115.05442	2.5
116.06189	1.2
117.06999	21.7
118.02984	1.1
119.08566	57.8
121.06506	7.6
121.10123	26.2
121.10973	1.8
123.08057	11.4
123.11685	6.8
125.05970	1.6
125.09618	5.7
128.06204	2.6
129.05446	1.3
129.06981	12.0
130.07825	1.8
131.08548	33.5
132.61551	0.9
133.06502	2.1
133.10110	45.4
135.08017	5.9
135.11685	19.8
137.09601	7.5
137.13229	1.8
139.11134	2.3
141.06984	2.1
142.07782	2.0
143.08554	11.3
144.09183	1.1
145.06450	1.1
145.10098	24.8
147.08014	3.5
147.11668	45.3
149.09615	9.8
149.13258	11.6
150.13547	1.0
151.11151	4.4
155.07118	0.8
155.08508	4.5
155.10597	1.1
156.09296	1.0
157.10118	13.0
159.08066	1.5
159.11673	20.8
161.09615	3.8
161.13246	27.1
163.11180	7.6
163.14780	3.5
165.12717	6.1
169.10104	5.5
171.11679	15.3
173.09680	1.2
173.13252	14.7
175.11162	3.4
175.14816	11.7
175.16232	1.4
177.12724	3.4
179.14313	1.1
181.10100	1.0
181.12173	1.0
181.17122	0.9
183.11707	3.9
185.13213	8.5
187.11189	2.0
187.14798	5.7
189.12704	1.6
189.16397	1.0
191.14331	1.9
193.12260	2.0
195.11644	1.4
197.13289	3.8
199.14758	5.1
201.16422	2.0
203.14317	1.5
203.17848	0.9
211.14854	1.4
213.16396	2.5
215.17964	3.4
217.19450	1.7
219.17439	0.9
223.14771	1.1
229.19482	3.3
230.08507	1.0
231.17412	1.3
231.20964	4.2
239.17964	3.8
241.19496	23.5
245.18831	1.6
247.20425	5.2
257.18982	9.8
259.20541	44.9
267.15799	1.6
273.18503	3.0
275.20013	35.7
276.20447	1.3
277.21637	4.2
284.18701	1.0
289.21567	3.0
291.19498	3.7
293.21182	1.4
297.22052	0.9
307.22617	22.1
314.62036	0.9
315.23056	6.3
331.22647	1.7
333.24188	49.6
347.21915	1.0
349.23669	6.9
351.25391	1.2
365.23157	2.0
370.68228	1.0
381.26297	21.5
501.35641	3.6
515.37811	2.6
533.39624	3.1
551.40363	2.4
607.43701	8.8
625.44659	8.7
639.46173	6.7
643.41071	0.9
657.45453	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	657.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11879	0.7
51.02371	0.9
53.03935	5.1
55.01865	10.0
55.05501	25.1
57.03425	7.1
57.07061	2.5
59.04981	1.6
65.03925	3.7
66.04703	0.8
67.05492	56.2
67.25819	0.8
68.05831	0.9
69.03413	4.4
69.06686	1.3
69.07057	25.8
70.33282	3.3
71.04989	7.1
71.08601	1.6
77.03954	1.4
79.05478	52.0
81.03410	6.8
81.07042	100.0
82.07379	1.0
83.04966	9.7
83.08607	13.8
85.06515	5.1
91.05463	53.8
93.07028	49.7
95.04389	1.4
95.04955	15.6
95.08588	36.8
95.09200	1.8
97.02885	1.1
97.06515	11.7
97.10133	2.7
98.21404	0.9
99.08057	2.7
103.05446	2.2
105.04484	1.1
105.07011	50.1
107.04944	14.3
107.08572	30.2
109.06496	20.1
109.10138	21.0
109.10876	1.6
109.84006	0.7
111.04411	2.9
111.08055	6.3
113.05970	1.4
113.09624	1.0
115.05439	2.8
116.06223	0.8
117.06991	15.1
119.08560	37.6
121.06493	9.6
121.10126	19.1
123.04404	1.8
123.08049	8.3
123.11676	6.6
125.06010	1.1
125.09634	3.0
128.06186	2.2
129.06987	7.8
130.07747	1.7
131.08546	20.3
133.06464	5.8
133.10106	32.3
135.08023	9.0
135.11667	8.4
137.05934	1.2
137.09615	4.8
137.13220	1.3
139.07538	1.4
139.11139	1.6
141.06955	2.2
142.07773	1.5
143.08527	8.0
145.06464	1.8
145.10091	17.7
147.08037	4.9
147.11664	17.7
149.09601	12.8
149.13217	9.0
151.07509	1.5
151.11162	11.6
153.09131	1.3
155.08530	1.9
157.10107	6.7
159.08031	3.3
159.11655	8.9
161.09595	8.3
161.13243	6.7
163.11166	8.9
163.14851	2.5
165.09085	1.0
165.12746	4.8
167.08543	0.9
169.10078	3.2
169.12254	1.5
171.07988	1.2
171.11644	4.9
173.09625	2.5
173.13249	5.5
175.11130	5.1
175.14787	3.0
177.09103	2.1
177.12766	3.3
179.10675	2.0
179.14243	2.3
181.10100	1.6
181.12233	0.7
183.11671	2.4
185.09669	1.2
185.13222	4.5
187.11171	1.8
187.14853	3.3
189.12718	2.7
189.16275	0.9
191.10539	1.0
191.14297	1.0
193.12210	1.8
195.11749	1.4
195.13867	0.9
197.13249	1.9
199.11369	0.9
199.14798	2.0
205.15906	0.9
207.11497	0.8
207.13757	1.1
209.25945	1.0
211.14807	1.6
213.16396	1.9
215.14340	1.1
219.13722	1.3
223.13248	1.2
227.17949	1.6
229.19508	2.7
231.21024	1.1
237.16533	0.9
239.17935	2.6
241.19394	5.7
245.18979	5.2
247.20435	3.7
251.12779	2.2
253.14296	13.1
255.17412	1.9
257.19003	7.1
259.20544	7.3
263.20081	2.9
267.15787	1.5
273.18463	21.8
273.21429	1.4
275.20023	39.5
276.20389	1.4
277.21558	2.3
291.19501	25.6
293.21088	6.5
309.20679	1.9
315.23230	1.8
329.21039	1.4
331.22458	0.9
333.24149	7.9
341.40982	0.8
347.22070	6.4
349.23645	13.8
351.25861	0.8
353.24387	0.8
365.23154	8.8
367.24774	3.4
369.27835	1.0
381.26321	1.3
387.29123	1.0
545.34546	2.3
607.43280	2.2
621.41174	2.1
625.44397	2.1
639.42334	11.8
657.33148	1.3
657.43384	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.4
52.67257	1.4
53.03931	6.0
53.36238	1.4
55.01861	22.3
55.05501	42.3
57.03427	10.6
57.07068	1.8
59.05017	1.3
65.03922	6.2
67.05492	65.0
69.03407	5.4
69.07053	32.8
70.84141	3.0
70.84508	2.8
71.04962	5.3
76.42737	1.3
79.05482	75.3
81.03405	10.2
81.07042	100.0
82.24610	1.4
83.04965	18.2
83.08607	21.4
85.02894	5.3
85.06528	3.5
86.13541	1.4
91.05463	51.0
91.06033	3.0
92.05746	1.4
93.07030	53.6
95.01250	1.4
95.04950	25.7
95.08593	36.3
97.02878	1.5
97.06511	20.6
97.10151	20.5
99.04467	2.0
99.08085	3.8
105.07011	53.9
107.04939	19.1
107.08578	49.5
107.09313	1.4
109.06507	19.0
109.10133	22.3
111.04423	11.4
111.08055	9.0
113.06001	2.9
113.09641	1.8
115.05417	2.8
117.06999	21.6
119.04992	1.5
119.08559	36.6
121.06519	7.5
121.10126	21.1
123.08042	22.7
123.11700	5.8
125.09606	14.7
128.06209	3.4
129.06985	10.5
130.07784	2.4
131.08546	27.4
131.09473	2.7
133.06479	4.9
133.10104	23.8
135.08034	10.5
135.11652	12.2
137.09628	7.7
139.07448	1.6
139.11133	1.6
141.06990	3.4
142.07800	1.8
143.08511	10.9
145.06451	3.4
145.10106	26.4
147.08032	8.3
147.11671	15.7
149.09573	17.9
149.13243	4.8
151.11134	3.4
153.09091	3.8
153.12708	6.8
155.08549	3.6
157.10126	10.9
159.08011	3.2
159.11687	13.7
161.09599	9.5
161.13245	5.6
163.11150	19.3
165.09039	2.5
165.12737	2.0
167.08620	2.0
167.10753	1.5
169.10107	5.3
170.53778	1.4
171.10271	2.5
171.11685	8.2
173.09576	3.1
173.11914	2.2
173.13165	7.1
175.11160	5.0
175.14807	2.6
177.12779	3.8
179.10678	1.9
179.14282	2.7
181.10188	2.6
181.12192	5.6
183.11729	5.8
185.09637	1.8
185.13231	4.1
187.11156	3.7
187.14781	2.9
189.11179	16.5
189.12701	2.6
191.10666	5.7
193.04926	1.8
193.10484	1.8
193.12218	2.9
195.11703	2.2
197.13202	4.6
199.11131	2.3
199.14888	2.0
201.12733	2.0
201.69716	1.4
205.12192	2.2
207.11694	1.8
213.16373	1.6
215.14221	1.7
223.13283	7.3
227.12700	18.0
227.17924	2.6
229.19461	2.8
233.15361	2.0
239.17911	4.5
245.19063	2.0
247.20436	2.1
249.14687	2.8
255.17430	2.8
257.18970	14.5
263.20035	1.7
271.51578	1.5
273.18451	30.3
275.20016	59.7
276.20425	1.7
283.15448	1.7
291.19492	56.0
292.19742	2.0
293.21121	5.5
329.21146	2.0
347.22144	10.6
349.23645	22.2
365.23184	20.4
367.24838	1.6
412.81818	1.5
429.11755	1.8
543.36957	1.8
545.34692	1.5
547.37842	2.3
565.38782	3.4
621.41431	7.2
639.42401	31.9
657.43488	25.0
658.35242	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	657.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
55.01871	13.6
55.05503	43.1
56.02193	1.5
57.03430	13.2
57.07050	5.9
59.05018	1.7
65.03929	4.9
66.22455	1.4
67.05496	66.4
69.03405	6.4
69.07058	33.0
70.06582	8.8
70.67962	2.0
70.68316	4.7
71.04997	7.2
71.08605	2.0
79.05481	64.8
80.44264	1.5
81.03416	11.8
81.07045	100.0
82.07395	1.6
83.04971	13.4
83.08610	23.2
85.02879	6.1
85.06521	7.0
87.04477	1.5
88.07621	8.8
91.04924	3.2
91.05470	60.4
91.06039	3.5
93.07030	51.0
95.04953	38.4
95.08586	38.4
97.02888	1.9
97.06516	16.9
97.10139	12.9
99.04438	3.4
99.08064	4.6
102.09160	4.5
105.04446	2.2
105.07014	45.5
107.04940	19.0
107.08576	35.7
109.06506	35.3
109.10149	20.1
111.04433	10.4
111.08047	10.1
113.05966	5.5
115.05442	4.1
115.07574	1.7
116.06238	1.5
117.07006	25.3
119.04902	2.1
119.07735	2.5
119.08566	39.7
121.06466	10.1
121.10118	22.8
123.04433	1.8
123.08055	13.7
123.11667	6.8
124.66201	1.5
125.09617	12.1
127.07501	2.6
128.06195	4.2
129.05458	2.2
129.06993	14.1
130.07796	2.3
131.08539	25.5
133.06448	4.5
133.10118	23.1
135.08037	15.0
135.11649	13.1
137.05988	1.7
137.09583	5.5
139.11145	3.2
141.06998	3.8
142.07738	2.2
143.08540	12.6
144.09251	2.1
145.06450	4.1
145.10110	30.2
147.08037	11.8
147.11664	16.6
149.02330	16.2
149.09593	17.9
149.13199	7.2
151.11153	5.7
153.06944	1.8
153.09084	3.3
153.12711	3.0
155.08545	6.6
157.10077	11.8
159.08041	6.0
159.11673	15.8
161.09613	10.8
161.13199	6.1
163.11145	16.7
165.09184	3.5
165.12726	4.3
169.10110	6.4
171.07997	2.2
171.10254	1.5
171.11597	8.1
173.09636	4.9
173.11882	1.9
173.13260	7.6
175.11130	7.9
177.12608	2.7
179.10619	1.5
179.14337	1.8
181.10109	3.4
181.12239	4.7
183.11685	7.5
185.09605	1.6
185.13239	6.2
187.11153	4.4
187.14865	2.0
189.11208	9.8
189.12740	3.0
191.10614	3.0
193.04967	17.8
193.12166	4.1
195.11737	3.4
195.13737	2.4
197.13264	4.1
199.11157	3.0
199.14786	4.0
201.12633	3.4
203.14304	2.8
205.12180	3.8
208.30275	1.6
211.14883	1.6
213.16377	1.9
215.14203	1.9
217.15846	5.1
219.13721	1.7
221.15292	1.6
223.13283	15.2
225.12610	1.7
227.12706	8.6
227.17923	3.1
229.19536	2.4
237.07428	4.3
237.16447	2.7
239.17929	2.7
245.18925	4.0
247.20575	1.8
255.17441	4.5
256.26245	16.7
257.18994	8.8
259.20605	1.7
267.15891	2.4
273.18466	36.0
275.20013	45.9
276.20453	1.9
277.21606	1.7
291.16354	3.1
291.19501	47.7
292.19553	1.9
293.18204	1.8
293.21030	11.3
309.20651	1.7
329.20834	3.1
331.22614	1.6
341.06601	3.5
347.22198	14.9
349.23734	15.7
359.07544	3.6
365.23282	9.6
367.24823	4.1
385.09027	8.3
397.27292	1.8
429.11829	12.9
529.35492	2.6
541.35309	3.1
559.35864	4.8
565.38794	2.6
592.04932	1.7
612.23151	1.6
621.41650	8.0
639.42505	24.6
657.29852	3.1
657.43262	29.2
658.35834	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	657.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03935	4.4
55.01860	12.4
55.05500	34.2
57.03421	7.1
57.07076	1.4
59.04979	1.0
65.03921	5.1
66.04703	1.1
67.05490	57.1
69.03423	8.5
69.07051	43.3
70.87691	1.5
70.88025	1.1
71.04991	4.7
71.08627	1.2
79.05476	51.3
81.03391	8.0
81.07037	100.0
83.04969	7.6
83.08598	16.7
85.06525	3.4
91.05461	44.1
93.07023	42.4
95.01340	1.3
95.04945	20.3
95.05506	1.6
95.08584	34.1
97.02857	5.6
97.06508	15.4
97.10146	14.8
97.10722	1.1
99.04493	0.9
99.08077	3.0
103.05457	1.8
105.04536	1.1
105.07008	39.6
107.04927	15.9
107.08567	29.4
109.02857	1.0
109.06495	22.1
109.07202	1.4
109.10129	15.3
111.04437	1.5
111.08066	6.3
113.05997	2.1
115.05441	2.7
117.06995	16.4
119.04902	1.5
119.08552	33.0
121.06480	6.7
121.10107	15.2
123.04417	1.3
123.08044	9.8
123.11677	8.2
125.05894	0.9
125.09609	8.4
127.07552	1.4
128.06226	1.9
129.06982	8.0
130.07802	1.2
131.04947	0.9
131.08542	18.3
133.06458	4.8
133.10104	20.6
134.07286	1.2
135.08014	7.6
135.11665	8.4
137.05992	1.1
137.09549	6.4
137.13286	1.5
139.07587	1.1
141.06984	2.0
142.07803	1.0
143.08516	6.6
145.06462	2.8
145.10095	14.0
147.08043	6.4
147.11650	19.4
148.50595	0.8
149.09584	9.7
149.13229	8.4
151.07507	1.1
151.11186	3.6
153.09082	2.2
153.12721	1.6
154.90565	1.1
155.08525	4.1
157.10123	6.5
159.08064	2.2
159.11655	11.6
161.09627	5.8
161.13191	4.0
162.10371	1.4
163.11153	7.3
163.14868	2.2
165.09088	2.5
165.12727	5.5
169.10136	3.3
171.11609	5.3
173.09604	1.9
173.11937	1.7
173.13133	4.6
175.11180	8.0
177.12743	5.2
179.10623	0.9
179.14328	2.6
179.20970	0.8
183.11713	2.9
185.09607	0.9
185.13309	3.1
187.11156	2.1
187.14789	1.6
189.09753	0.8
189.11221	4.4
189.12720	2.0
191.14203	1.6
193.10587	0.8
193.12292	3.2
195.11664	1.7
195.13820	2.2
197.13225	1.1
199.11237	1.6
199.14888	1.8
201.12700	2.1
203.14275	2.2
205.12149	2.3
207.13780	1.1
209.13329	1.2
213.16402	1.5
213.97578	0.9
215.18066	1.0
217.15906	1.5
223.13213	13.4
227.12616	3.8
227.18004	1.0
229.19469	2.8
231.17418	1.4
239.17964	2.0
245.19002	3.0
246.20610	0.9
247.20554	3.4
249.14920	2.6
253.14377	2.5
255.17418	2.7
257.18863	5.3
261.18567	1.0
263.19858	1.5
267.15906	2.8
273.18448	23.9
275.20004	47.5
276.20499	1.5
277.21619	0.9
284.76425	0.8
291.19482	87.3
292.19931	2.5
293.21060	9.0
298.99213	0.8
329.21075	0.9
331.23050	0.9
347.22122	6.5
349.23654	19.3
365.23157	16.5
367.24832	2.8
529.35864	1.8
541.35254	1.1
565.38348	1.3
583.39673	1.0
621.41626	2.2
639.42395	29.8
640.42035	1.1
657.43469	47.6
658.43640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03930	3.6
55.01866	18.1
55.05503	52.4
57.03426	5.7
57.07077	1.3
59.04987	1.4
65.03925	5.5
67.05496	67.1
69.03422	11.1
69.07059	45.5
71.05006	8.5
75.19303	1.1
77.03935	1.7
79.05482	66.3
81.03402	9.5
81.07044	66.9
83.04969	16.4
83.08611	28.0
84.10772	1.1
85.02883	3.4
85.06541	3.5
87.04468	1.2
91.05466	52.2
93.07030	60.8
95.01297	1.3
95.04955	44.9
95.08591	38.4
95.09190	2.4
97.02883	11.3
97.06511	13.3
97.10149	22.6
99.04436	5.7
99.08075	4.0
100.95694	1.1
101.72509	1.2
103.05499	1.7
105.07017	46.1
107.04936	20.5
107.08575	41.5
108.08915	1.3
109.02900	2.2
109.06511	16.5
109.10146	21.5
111.04415	13.9
111.08054	8.2
113.06031	1.9
115.05455	3.3
117.07002	23.6
119.04970	2.1
119.08566	39.0
121.06486	8.9
121.10122	22.5
123.04417	2.6
123.08052	16.1
123.11699	4.9
125.09615	17.4
128.06229	2.7
129.06985	10.0
130.07800	2.2
131.08537	26.0
131.09445	2.0
133.06502	5.5
133.10107	22.5
134.07240	1.2
135.08060	10.3
135.11659	10.9
137.05933	1.3
137.09569	6.3
139.11176	3.2
141.06943	3.1
143.08510	9.6
145.06445	3.1
145.10106	27.4
147.08025	12.4
147.11674	16.6
149.09595	24.3
149.13257	4.8
151.07518	1.5
151.11195	4.9
153.07103	1.4
153.09059	2.8
153.12698	2.4
155.08530	3.6
157.10139	9.0
159.08067	2.5
159.11665	16.1
161.09586	7.9
161.13228	6.0
162.10295	2.0
163.11154	22.5
165.09131	2.5
165.12746	4.7
169.10132	5.4
171.10284	2.4
171.11627	7.8
173.09625	4.7
173.13193	6.2
175.11153	6.6
175.14760	2.6
177.09138	1.7
177.12747	5.6
179.10641	1.7
179.14336	2.9
181.10094	1.9
181.12294	2.2
183.11713	3.5
185.09596	2.4
185.13295	3.9
187.11198	5.3
187.13200	1.1
187.14803	2.3
189.11209	14.5
189.12788	2.8
193.12294	3.4
195.11656	1.7
197.13338	2.6
199.11253	1.3
201.12875	1.4
205.12250	5.3
209.13235	1.8
211.14919	2.4
215.17940	2.0
223.11084	2.2
223.13249	42.5
227.12712	13.1
227.14423	1.2
227.17938	2.4
229.19530	2.9
239.17911	5.5
241.19510	2.8
245.18932	2.2
247.20650	3.1
249.14877	2.9
253.14531	1.3
255.17505	3.1
257.18988	10.3
259.20538	6.0
261.18796	1.4
273.18448	30.9
275.20023	61.5
280.70663	1.1
289.18063	3.2
291.19504	100.0
292.20044	2.1
293.21017	19.2
301.21762	2.5
307.20770	1.1
311.22125	2.1
333.24200	1.7
347.22070	7.9
349.23669	17.8
363.21826	2.3
365.23166	18.7
367.24911	4.2
385.68338	1.3
529.35437	1.6
545.38300	1.1
547.37775	2.3
551.37604	1.4
559.36670	1.6
621.41547	3.7
639.42487	31.9
640.42889	2.3
657.43530	87.6
658.43756	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	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01860	8.6
55.05503	29.6
57.03431	31.3
57.07059	3.5
61.02917	90.3
65.03936	4.0
67.05492	61.0
68.05830	2.8
69.03423	43.0
69.07057	16.7
69.51835	2.8
71.01333	8.6
71.04980	7.6
73.02903	36.4
79.05483	59.3
81.03402	36.8
81.07046	60.9
83.04983	12.1
83.08617	12.5
85.02892	100.0
85.06554	4.5
87.04457	4.5
91.03947	56.0
91.05470	60.5
93.07030	61.9
95.04948	16.4
95.08593	43.8
97.02880	80.3
97.06538	9.4
97.10161	6.9
99.04445	14.8
99.08094	5.7
101.02370	11.2
103.03918	12.8
105.07020	61.5
105.07722	3.8
107.04939	9.5
107.08583	38.7
109.02866	13.4
109.06490	12.1
109.10152	15.7
111.04437	8.8
111.08071	5.5
115.03911	10.7
115.05485	3.8
117.07001	25.8
119.08566	45.2
121.06488	6.3
121.10132	27.6
123.04383	4.0
123.08093	3.5
123.11721	3.7
125.09592	4.8
127.03911	30.0
128.06169	3.9
129.05486	8.2
129.06982	19.5
130.07794	3.0
131.08539	37.4
133.06494	5.0
133.10114	37.0
135.08040	5.8
135.11667	28.8
137.05951	4.8
137.09651	2.7
141.06963	8.1
142.07751	5.5
143.08521	20.7
145.04935	14.0
145.06483	4.3
145.10101	28.0
147.08041	8.8
147.11653	23.2
149.09604	9.9
149.13245	13.6
155.08498	13.2
156.09267	2.9
157.06464	3.5
157.10118	20.2
159.08034	5.7
159.11670	23.0
161.05891	2.8
161.09595	4.6
161.13246	13.2
163.06044	2.9
163.11221	6.5
165.06989	2.6
165.08994	2.5
167.08514	4.5
169.10114	11.9
171.08107	4.2
171.11679	19.3
173.09608	5.8
173.13251	13.4
175.11179	6.3
175.14815	5.9
179.08531	3.6
181.10124	6.9
183.06610	5.6
183.08064	3.1
183.11678	12.6
185.09633	6.5
185.13225	17.5
187.11259	5.4
187.14799	4.1
189.11302	3.5
195.11713	5.3
197.09550	3.0
197.13245	8.8
199.11197	3.1
199.14812	8.2
201.12825	2.3
207.11691	3.8
209.13228	4.3
211.11191	4.1
211.14809	5.0
213.12805	4.3
213.16405	2.8
219.13721	2.4
223.10988	3.1
223.14844	3.6
225.12761	3.7
229.50076	3.5
239.14188	3.0
241.19423	11.0
253.19334	2.9
257.18951	4.5
259.20514	29.7
271.20676	4.8
273.18472	5.3
275.20029	9.8
277.21637	5.7
283.20493	5.6
287.20056	3.4
291.19592	4.5
295.20505	3.2
299.20004	3.7
301.21487	12.7
303.04874	4.2
313.21558	5.7
315.23166	3.0
325.21573	7.9
333.24222	41.8
339.23090	5.9
343.22757	5.3
347.22147	2.9
349.21265	4.3
363.25214	5.8
367.22568	17.0
375.25134	13.4
385.23596	11.4
387.25253	5.3
403.24701	7.0
405.26410	3.4
417.26343	9.4
429.26254	9.4
431.27811	3.6
441.26385	29.9
459.27451	24.2
477.28445	25.0
495.29431	25.6
603.32074	5.6
621.32831	3.1
639.33490	5.7
657.34369	17.2
657.43634	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	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.4
51.60683	1.8
53.03931	9.4
55.01862	15.1
55.05502	28.3
55.93348	2.0
57.03426	30.4
61.02916	80.9
65.03926	3.9
67.05494	55.9
69.03420	37.2
69.07057	19.5
70.03162	12.6
71.01337	4.8
71.04996	10.6
73.02905	33.4
79.05481	59.1
81.03402	25.0
81.07044	69.8
83.04975	13.6
83.08621	14.6
85.02890	100.0
85.06518	6.0
87.04423	2.6
87.59399	2.1
91.03371	2.5
91.03941	55.8
91.05463	57.2
93.07030	59.9
95.04947	14.3
95.08585	30.9
97.02876	68.4
97.06522	11.0
97.10165	13.9
99.04443	10.7
99.08096	4.2
101.02364	6.1
103.03920	7.1
103.05421	3.1
105.04477	1.9
105.07013	53.8
107.04923	10.1
107.08562	39.1
109.02866	11.6
109.06495	15.1
109.10141	16.4
111.04424	7.6
111.08067	5.7
113.05996	2.9
115.03865	4.6
115.05434	3.7
117.06998	28.0
119.08567	47.2
121.06480	6.4
121.10121	28.4
123.08050	8.8
123.11684	4.6
125.09602	6.2
127.03879	28.0
128.06219	5.9
129.05521	3.0
129.06998	18.7
131.08546	32.1
133.06491	4.5
133.10101	32.5
135.08002	10.8
135.11653	15.9
137.09601	5.0
141.06966	4.1
142.07735	2.7
143.08519	15.6
145.04947	20.8
145.06461	3.9
145.10097	25.0
147.08008	6.4
147.11652	23.2
149.09612	8.8
149.13240	6.5
151.11124	3.8
153.09015	2.8
153.12712	2.5
155.08585	5.1
157.10088	11.4
159.08023	4.1
159.11682	17.4
161.09581	7.3
161.13234	9.6
163.06000	5.3
163.11160	7.5
167.08528	3.0
169.10049	10.1
171.07967	3.0
171.10297	2.5
171.11617	11.9
173.09650	5.1
173.13213	9.6
175.11206	4.4
177.12756	2.7
179.14157	2.2
181.10081	4.5
183.11632	10.4
185.09636	3.2
185.13240	9.2
187.11176	3.4
187.14748	3.2
189.11229	5.3
189.12762	2.7
195.11717	5.0
195.13811	3.1
197.09735	2.0
197.13194	4.3
197.99898	2.7
199.11151	3.3
199.14798	5.8
201.07623	3.1
201.12750	2.2
209.13240	5.1
213.12698	3.3
215.14293	2.7
217.15970	2.7
221.13263	2.9
225.12715	3.7
227.12671	3.9
237.12674	2.3
241.19473	6.2
247.20544	2.2
255.17480	3.0
257.18887	4.1
259.20544	19.5
273.18399	11.2
273.22217	2.4
275.20035	19.3
277.21765	2.3
291.19547	20.3
295.20834	2.7
301.21500	5.2
313.21677	2.9
315.23514	2.3
329.21109	3.9
333.24152	27.9
343.22604	3.5
347.22052	3.5
349.23868	5.8
351.25342	2.7
361.23779	3.9
365.23218	4.1
367.22861	6.5
375.24969	4.2
385.23270	2.8
417.26614	2.3
441.26428	8.1
459.27182	9.4
460.27411	7.1
477.28244	10.7
478.28796	5.1
495.29202	6.8
621.41022	2.7
639.42279	5.6
657.43811	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	657.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01860	1.0
55.05503	5.7
57.03415	2.6
61.02906	1.2
65.03923	1.1
65.84841	0.8
67.05490	11.5
68.05790	0.8
69.03418	4.7
69.07052	4.0
70.06561	1.2
71.04988	1.9
71.43700	2.3
79.05482	14.9
81.03402	2.8
81.07043	30.9
82.07373	1.1
83.04963	1.9
83.08582	1.9
85.02904	2.7
91.05473	16.4
93.07031	20.0
95.04980	4.8
95.08588	13.7
97.02876	2.5
97.06498	1.7
97.10179	0.9
103.05465	1.1
105.07011	26.4
107.04981	1.1
107.08577	14.7
109.02874	1.7
109.06495	2.4
109.10145	4.4
111.04381	1.0
111.08020	1.6
117.06995	2.5
119.08564	34.1
121.06493	2.5
121.10127	16.3
123.08105	1.6
123.11651	1.2
125.09618	1.3
127.03839	2.0
129.06981	1.4
131.08537	3.4
133.10110	13.7
135.08003	1.1
135.11670	5.6
137.05917	1.8
142.07742	1.2
143.08583	2.8
145.10118	3.7
147.07997	1.4
147.11659	7.3
149.09592	2.3
157.10086	4.1
159.07918	1.0
159.11679	3.7
161.09586	1.2
161.13246	9.1
163.11157	1.0
171.11685	1.1
173.13245	1.4
175.11157	2.2
175.14801	3.6
183.04323	1.7
187.03993	1.0
189.16399	8.8
199.14760	1.9
211.03896	5.1
217.15831	8.7
229.04878	2.9
235.16843	0.9
236.78575	1.0
243.02647	1.0
253.04948	1.2
254.28250	1.1
257.04419	34.1
258.04834	1.2
261.03879	5.8
267.02817	3.7
271.05862	2.2
273.03894	28.3
274.04306	1.2
285.03906	100.0
286.04279	3.7
297.03833	5.6
299.02155	1.8
299.05350	7.3
303.04947	17.9
311.05444	1.4
313.07297	1.5
323.05353	1.0
325.03604	1.0
327.04913	10.5
339.05026	4.6
351.04889	1.5
357.05981	2.6
369.06000	11.0
374.66150	1.1
379.21140	2.9
387.06964	3.9
405.08063	4.8
477.28812	1.2
483.18015	1.4
501.18875	2.9
519.20013	5.1
608.10321	1.0
621.22766	1.2
639.24084	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22087	3.3
53.01538	3.3
53.03942	9.0
55.01856	7.3
55.05511	37.2
57.03426	12.4
61.02911	12.8
67.05498	55.1
68.05834	4.1
69.03418	8.4
69.07061	20.2
70.10560	8.0
70.10970	13.2
71.04966	7.7
73.02892	6.6
79.05486	42.4
80.05837	4.7
81.03394	8.6
81.07042	65.1
82.07365	6.7
83.04976	8.7
83.08617	26.4
85.02885	10.9
85.06513	6.8
91.03949	5.0
91.05469	53.9
92.05801	5.3
93.07025	43.6
94.07343	8.6
95.04960	17.2
95.08581	23.2
96.08941	4.3
97.02869	9.9
97.06512	12.4
97.10161	29.8
98.21391	4.9
99.04440	3.6
99.98090	3.4
103.05433	6.3
105.07011	40.8
106.07354	7.0
107.04951	8.6
107.08578	29.6
109.06512	9.7
109.10126	18.2
111.08080	4.4
113.05904	3.7
115.05450	4.9
117.07001	39.9
118.07332	6.3
119.08540	26.4
121.06496	7.7
121.10125	15.1
123.08065	6.4
125.09613	22.4
128.06190	6.9
129.07036	23.6
131.04820	4.6
131.08545	43.8
132.08862	6.3
133.06447	5.5
133.10144	17.4
135.08028	14.5
135.11676	9.3
137.09599	5.1
141.06955	7.5
142.07664	3.6
143.08563	20.2
144.08908	4.1
145.06482	10.0
145.10114	23.9
146.10364	4.2
147.07999	10.3
147.11650	13.2
149.09694	3.8
151.07394	3.9
153.09082	4.2
155.08522	13.8
157.06474	5.1
157.10132	12.7
159.08061	5.1
159.11639	12.3
160.11980	4.2
161.09624	5.9
163.11195	6.2
167.08505	4.9
169.10100	11.1
171.07964	3.8
171.11691	5.0
173.13190	4.6
175.11237	4.2
177.12708	5.3
181.10069	10.4
183.11592	7.4
185.13261	5.8
187.14828	4.5
189.11171	8.4
193.12285	4.6
195.11526	4.5
197.13246	9.9
215.14322	34.6
227.12663	20.5
233.15329	6.0
273.18466	11.5
275.20032	14.2
291.19568	9.8
304.38818	4.1
334.22559	7.2
351.23334	6.1
352.23511	15.4
367.22668	8.6
369.24152	8.6
370.24509	12.1
378.12177	3.9
379.04254	3.7
385.23737	9.6
388.25534	4.1
401.26483	5.4
402.26901	17.7
441.26471	45.7
444.27914	5.3
459.27338	100.0
460.27515	5.4
476.30847	28.7
477.28345	19.7
494.31470	4.9
638.80011	4.3
639.41534	5.3
656.42047	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	655.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.4
55.01851	7.8
55.05503	34.6
57.03426	10.1
57.07037	2.4
61.02912	23.5
65.03914	4.9
67.05489	67.9
67.05844	4.7
69.03411	13.5
69.07053	26.8
70.24686	8.7
71.04955	8.2
73.02891	8.0
74.18751	1.7
79.05021	3.1
79.05475	60.3
81.03398	11.3
81.07043	76.1
83.04959	9.3
83.08599	24.3
85.02896	20.5
85.06538	10.9
91.03928	10.2
91.05461	74.3
93.07026	56.9
94.59096	1.9
95.04949	13.9
95.08589	43.3
96.07465	1.7
97.02863	14.7
97.06510	14.6
97.10146	10.0
99.08067	3.4
103.03945	2.1
103.05460	3.6
105.06330	3.4
105.07009	59.0
107.04926	10.6
107.08570	26.8
109.02886	2.7
109.06495	13.5
109.10138	15.1
111.08057	6.3
111.67253	1.8
115.05446	7.9
116.06195	3.1
117.06992	46.1
119.04918	2.8
119.08546	35.1
121.06497	9.0
121.10107	19.8
121.44417	2.1
121.67728	2.0
123.08031	10.0
123.11691	4.7
125.09583	7.4
127.03848	5.4
128.06216	16.2
129.06975	62.2
130.07707	2.6
131.08536	75.2
133.06487	11.8
133.10095	25.9
135.08028	7.6
135.11690	9.5
137.09579	2.5
141.06953	22.9
141.09050	2.0
142.07706	7.3
143.08533	52.4
145.06445	16.1
145.10103	34.6
147.08037	9.3
147.11641	11.4
149.09619	13.0
149.13203	5.0
151.11143	4.6
153.06943	7.6
154.07765	4.5
155.08540	48.3
157.06441	4.2
157.10081	28.5
159.08055	10.7
159.11653	28.6
161.05884	2.0
161.09570	8.5
161.13211	2.8
162.30634	2.1
163.11169	6.6
165.06981	6.7
165.12703	2.9
166.07710	2.3
167.08516	19.9
169.10089	24.3
171.07990	7.0
171.11678	19.7
173.05782	2.0
173.09581	7.3
173.13249	5.6
175.11124	9.2
177.12718	15.7
178.07791	3.6
179.08549	11.3
180.09299	2.3
181.10074	22.7
183.07974	2.7
183.11642	17.3
185.09627	5.0
185.13202	11.3
187.11131	5.9
187.14725	3.1
189.09151	2.5
189.12711	2.3
191.08598	2.5
191.14253	2.1
193.10083	9.3
193.11989	3.3
195.08112	2.7
195.11678	24.3
197.09570	4.8
197.13216	13.7
199.11166	4.6
199.14803	4.6
201.12662	3.8
205.10124	3.7
207.11769	10.4
207.13525	3.2
209.13202	12.8
211.11215	2.8
211.14781	7.8
213.12660	5.3
213.16277	4.1
215.14410	4.3
217.15685	2.5
219.11725	3.5
221.13208	17.0
223.14824	17.2
225.12675	5.2
225.16371	4.5
227.14302	5.2
229.14137	3.2
233.13141	3.6
233.15279	3.3
235.14761	9.6
239.14253	12.9
241.15869	6.5
243.13861	2.1
247.14749	3.5
247.16959	8.5
249.16579	3.8
253.15807	8.6
255.17436	3.3
257.15320	7.4
259.14587	2.4
259.16995	3.1
261.14850	3.1
267.17505	2.4
269.15280	4.7
271.16846	11.3
273.18530	4.0
275.20044	5.5
285.18512	4.6
289.18021	2.3
291.19492	2.8
299.19736	1.9
305.22513	5.8
315.21039	4.6
322.94577	2.1
323.23529	14.7
333.22076	32.6
341.24594	11.0
351.23087	78.3
352.23376	3.1
365.24545	5.1
369.24188	66.2
370.24554	2.3
383.25803	19.0
387.25354	12.0
401.26794	76.0
401.32053	3.6
412.12601	2.0
419.27911	3.0
425.26996	2.4
443.27817	22.3
459.27225	4.2
461.28729	5.4
475.30496	100.0
476.30475	2.6
477.27930	2.9
493.31741	16.4
496.33762	2.0
637.41223	2.6
655.41461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19629	0.2
55.01862	0.7
55.05499	1.1
57.03414	0.3
58.18820	0.3
63.15971	0.2
65.03929	0.4
66.78297	0.2
67.05492	2.8
69.07068	1.6
71.04964	0.5
75.04460	0.4
79.05488	3.0
81.03394	0.3
81.07040	3.6
83.04944	0.5
83.08612	1.1
91.05467	2.7
93.07023	2.4
95.04967	1.0
95.08588	1.9
95.16065	0.3
97.06517	0.8
97.10134	0.4
98.20661	0.5
105.07013	2.7
107.04935	0.8
107.08575	1.4
109.06497	0.8
109.10136	0.9
111.08102	0.4
113.62302	0.3
114.38636	0.2
117.07008	1.4
119.08572	2.0
121.06476	0.3
121.10122	0.8
123.08095	0.4
129.06984	0.5
131.08548	1.4
133.10143	1.5
135.08032	0.3
135.11678	0.5
137.09673	0.4
143.08536	0.7
145.10132	1.6
147.11688	1.1
149.09624	0.7
152.00534	0.3
155.08527	0.4
157.10167	0.4
159.08018	0.4
159.11682	1.0
161.09653	0.6
163.11145	0.6
169.10039	0.3
171.11697	0.5
173.13257	0.5
181.10149	0.3
183.11731	0.3
195.11777	0.3
209.11281	0.2
221.81799	0.3
239.17926	0.2
257.19098	0.6
273.18579	0.7
275.20093	2.0
291.19504	1.0
307.22726	0.5
376.17496	0.3
377.17661	0.6
378.19183	0.3
379.19260	0.4
391.19189	0.9
392.20053	0.6
393.20612	0.7
403.19492	0.3
404.20294	0.4
405.16272	1.2
405.21075	0.9
406.17563	0.7
406.22089	0.4
407.18347	0.2
407.22427	4.3
408.22879	0.4
418.17401	0.6
419.18100	3.0
419.23398	0.4
420.18976	1.3
421.20303	1.1
432.19376	0.7
433.15414	0.3
433.20670	6.2
434.20984	5.3
435.21744	8.3
436.22406	0.8
446.21164	0.7
447.17743	1.4
447.22141	1.9
448.18423	0.7
448.23447	0.5
449.19354	2.3
460.22488	0.3
461.19379	1.4
461.24100	1.0
462.20255	4.4
463.21121	3.8
464.22076	0.4
465.23465	0.3
475.21445	1.8
476.22214	0.9
477.22839	1.8
479.20761	1.0
481.26080	0.5
489.22906	1.0
493.22437	0.5
494.23312	0.5
495.23944	1.1
505.22409	0.5
506.23010	0.5
507.23746	1.0
508.24454	2.1
509.25226	2.0
520.25031	0.4
521.25635	11.5
522.25507	0.4
535.26697	0.8
547.26782	0.4
548.24579	0.3
549.24896	20.1
550.25165	0.8
553.23938	1.5
563.26630	3.3
564.27521	0.8
565.23792	0.3
577.24103	0.5
580.23297	0.3
581.27380	3.6
590.80298	0.3
595.29187	9.8
596.29529	0.4
607.29248	0.6
609.26984	11.2
610.27252	0.4
623.28479	0.9
623.43378	0.6
638.39050	0.3
655.31158	100.0
656.31360	2.5
658.40985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64328	1.8
53.03932	9.2
55.01862	7.2
55.05504	38.8
57.03429	12.9
57.07060	6.1
58.46542	2.0
59.04982	4.8
61.02918	11.0
65.03596	2.3
65.03915	4.7
65.78793	2.1
66.56472	2.7
67.05495	100.0
69.03423	26.3
69.07058	20.0
71.04979	12.7
71.70293	2.2
71.70688	2.5
73.02898	6.1
79.05484	44.6
81.03407	47.5
81.07043	57.2
83.04959	13.2
83.08604	18.0
85.02898	16.5
85.06555	3.6
87.32571	1.9
88.99516	2.1
91.03919	4.4
91.05470	48.8
93.07028	51.1
95.04951	15.7
95.08593	38.8
97.02885	26.5
97.06523	4.9
97.10146	22.8
99.04443	9.2
103.03940	2.4
105.07013	46.9
106.07306	2.1
107.04916	5.7
107.08568	31.9
109.02863	7.9
109.06495	6.7
109.10142	62.0
111.04413	7.0
111.08080	5.7
112.12995	3.0
117.06186	3.1
117.07002	26.4
119.08563	38.9
121.06499	3.6
121.10146	18.2
123.08060	6.4
123.11684	3.9
125.09591	21.5
127.03896	12.8
128.06183	2.5
129.05478	3.5
129.06964	17.4
130.07794	3.0
130.20531	2.1
131.08543	36.0
133.06494	5.3
133.10088	25.7
135.08060	6.6
135.11662	13.7
137.09578	3.4
139.07478	2.8
141.06961	8.5
142.07744	5.2
143.08507	17.7
145.10083	32.2
147.08011	2.7
147.11662	17.5
149.09613	6.1
149.13220	11.3
151.07523	3.0
151.11137	2.6
153.07005	3.4
154.07840	2.5
155.08528	12.9
155.10648	2.8
157.10085	22.7
159.08051	5.5
159.11696	22.6
161.09579	5.0
161.13174	10.2
163.11159	3.4
163.14835	2.3
165.06966	2.6
167.08571	7.6
169.10083	14.7
171.08064	3.3
171.11667	20.9
173.09563	4.6
173.11722	14.2
173.13277	13.5
175.11136	4.4
175.14822	5.4
177.12770	4.6
178.07790	2.0
179.08514	2.9
181.10135	7.9
181.81340	2.1
182.10815	2.7
183.11676	11.0
185.09612	2.4
185.13217	14.3
187.11182	4.3
187.14842	6.3
189.11186	15.4
189.12704	3.1
193.10077	2.5
195.11668	5.7
197.09660	2.8
197.13229	7.7
199.11227	4.7
199.14827	7.8
205.12456	2.2
207.11714	3.0
209.09657	2.2
209.13254	4.8
211.11066	2.4
211.14821	2.6
213.12599	3.7
213.16458	3.4
221.15361	3.2
223.14816	5.3
225.12668	2.5
225.16464	3.7
227.12685	11.2
229.14294	19.7
230.32697	2.2
235.14888	3.3
241.19510	5.8
245.13773	6.0
253.19539	3.7
257.19028	5.3
259.20480	13.6
261.22131	7.9
271.20636	7.2
273.22089	4.1
275.20203	3.6
277.21674	6.0
283.20511	3.8
285.13345	2.1
297.22211	3.1
299.14993	3.0
301.21548	5.0
313.21606	4.3
325.21796	2.8
333.24222	8.7
335.25742	7.5
339.23260	3.9
341.25058	2.7
349.21603	2.9
351.23212	7.9
357.24042	2.6
367.22632	7.5
369.24149	5.9
371.16992	3.9
373.18417	7.0
385.23517	3.2
395.29373	3.5
403.24582	2.7
458.30252	2.2
469.33298	2.8
485.32126	3.2
487.34177	76.5
488.34763	7.1
489.35696	2.7
499.23297	2.6
501.35474	2.4
503.31766	2.8
505.35065	4.8
529.35760	3.3
541.35138	2.6
571.35950	2.6
595.36169	11.6
613.37299	10.8
631.28833	2.6
631.38031	17.0
637.38770	2.2
649.39441	33.6
661.98743	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3933
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03926	7.7
54.16275	2.3
55.01851	6.2
55.05504	36.8
57.03427	12.8
57.07046	3.4
59.04982	4.6
61.02911	12.3
65.03913	4.1
67.05494	100.0
69.03422	28.1
69.07050	20.3
71.01324	2.3
71.04984	9.4
71.08628	1.9
71.71646	2.8
73.02892	7.8
79.05480	38.9
81.03402	42.1
81.07044	56.8
83.04968	13.9
83.08605	17.5
85.02904	16.4
85.06526	6.4
90.95824	2.2
91.03917	6.4
91.05468	46.6
93.07028	44.1
95.04966	18.2
95.08591	37.0
97.02871	24.5
97.06508	6.3
97.10155	18.6
99.04444	7.5
99.08056	3.1
101.02377	2.8
102.66809	2.0
103.03934	2.3
103.05466	2.5
105.07013	39.7
107.04929	6.1
107.08568	31.9
109.02853	8.1
109.06493	5.1
109.10135	58.0
111.04422	4.5
111.08070	7.4
115.05463	2.3
117.06999	24.0
119.08552	38.3
121.06438	1.9
121.10126	20.3
123.08063	5.4
123.11682	3.5
125.09618	17.2
127.03915	10.6
128.06183	5.4
129.05501	4.4
129.06984	21.0
130.07770	2.0
131.04904	1.9
131.08534	31.0
133.10104	26.8
135.08026	8.3
135.11650	13.5
137.09590	6.6
141.06946	7.4
142.07742	5.7
143.08542	22.3
145.06462	3.7
145.10115	31.5
147.08051	4.8
147.11688	15.7
149.09630	5.5
149.13255	5.0
151.07510	2.4
153.06952	2.5
155.08505	13.0
157.10115	20.2
159.08044	5.6
159.11688	22.7
161.09619	4.8
161.13197	6.8
163.11150	2.7
165.06891	2.1
167.08508	5.0
169.10091	13.7
171.08011	4.5
171.11653	19.9
173.09628	6.0
173.11714	18.4
173.13245	11.9
175.11108	3.0
175.14838	3.5
177.12776	3.3
179.08644	2.6
179.14314	2.8
181.10115	7.3
181.12195	3.5
183.11682	12.6
185.09528	2.2
185.13307	11.7
187.11162	2.5
187.14796	4.8
189.11179	11.9
189.12688	2.8
193.10188	4.1
195.11650	7.2
197.13214	9.8
199.11237	3.4
199.14772	7.4
201.12740	2.5
201.16339	2.5
203.14404	2.4
209.13263	8.8
211.11040	2.7
211.14780	4.4
213.12761	3.7
221.13181	4.2
223.14836	3.2
225.12715	3.4
227.12592	11.3
229.14311	16.2
233.13138	2.2
237.16460	1.9
241.19489	6.7
243.21133	2.6
245.13739	7.8
257.18860	2.9
259.20547	9.6
261.22144	7.6
269.19034	2.3
271.20563	2.8
275.20172	3.7
277.21552	4.1
283.20697	2.8
299.14810	3.2
301.21854	3.9
333.24088	6.9
335.25754	4.9
339.23132	3.7
349.21567	6.0
351.23129	5.7
367.22586	10.8
369.24097	4.7
371.17059	3.3
373.18497	5.8
375.25287	4.4
384.78806	2.2
385.23740	5.5
395.29410	6.5
423.25397	2.7
432.04999	2.1
453.11905	2.1
459.27307	2.8
469.32877	4.3
485.32352	2.3
487.34186	91.8
488.34308	6.3
517.35376	3.4
529.24261	3.8
529.34625	3.4
583.35962	2.6
595.36194	12.4
613.37372	13.8
631.38153	20.6
649.39581	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.8
67.05478	2.1
69.07076	2.1
71.14190	3.6
71.14529	2.5
71.55986	1.8
73.99156	1.7
81.07030	4.0
88.25632	1.5
95.08579	2.2
119.08598	1.8
121.10124	2.3
254.81282	2.0
403.19067	2.3
417.20874	4.1
418.21445	2.2
430.17294	2.5
431.18448	4.0
433.23990	3.8
443.18082	1.8
444.19348	3.7
445.20062	9.7
446.21387	2.3
447.22079	2.2
459.22363	9.1
460.22552	5.4
461.23376	6.0
473.19095	9.2
487.21182	4.3
502.23505	3.3
503.24338	7.3
515.24176	2.3
533.21912	2.7
534.12000	2.2
547.27124	15.4
561.25146	6.8
589.27893	26.9
607.28485	2.8
649.30084	100.0
650.30603	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	649.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03945	12.0
54.60563	2.1
55.01850	8.3
55.05502	25.8
57.03437	15.4
59.04999	2.1
65.03923	3.2
67.05495	79.0
69.03419	22.7
69.07059	17.3
71.04967	8.6
71.91058	2.2
73.02899	2.3
73.06541	3.0
79.05482	100.0
79.58052	2.1
81.02947	3.3
81.03408	44.6
81.07043	65.7
83.04963	20.1
83.08607	14.4
85.02894	15.1
85.06530	5.6
87.04462	2.6
91.05468	91.0
93.07031	94.4
95.04955	41.3
95.08603	40.5
97.02882	12.6
97.06488	12.3
97.10139	7.3
98.21486	3.7
99.04427	5.1
99.08092	2.9
103.05455	2.6
105.04511	2.7
105.06335	3.9
105.07014	71.7
107.04916	19.0
107.08588	26.9
109.02860	7.8
109.06517	15.4
109.10133	13.8
111.04422	3.3
111.08051	3.7
115.05434	6.8
117.07001	27.8
119.04918	2.5
119.08564	41.1
121.06490	10.1
121.10106	12.6
123.04410	3.1
123.08031	9.8
125.09618	2.5
127.03919	6.7
128.06178	8.4
129.06985	32.2
131.04883	5.1
131.08553	21.9
133.06441	9.8
133.10091	14.9
135.07997	5.9
135.11647	6.8
141.06900	3.0
143.08525	26.9
145.06467	10.9
145.10123	18.7
147.07986	6.1
147.11662	39.5
149.09593	3.9
153.06964	3.5
155.08536	8.7
156.12334	2.4
157.06494	5.2
157.10075	7.5
159.08011	6.5
159.11646	8.2
161.09576	7.4
161.13240	21.0
163.11137	5.1
165.06956	3.9
167.08510	5.3
169.06493	2.6
169.10097	8.0
171.08020	9.3
171.11674	42.3
173.04440	7.4
173.09552	4.5
173.13156	5.2
179.14301	4.4
181.10060	6.6
183.07962	2.8
183.11682	3.6
185.09589	4.5
187.11131	4.9
189.12727	18.5
191.14186	3.1
195.08105	2.5
195.11691	4.2
197.13152	2.4
207.11858	3.4
207.13763	45.0
209.13295	3.1
215.14305	4.7
221.15341	3.9
223.14771	4.5
225.12708	3.0
225.14813	7.0
227.14354	3.1
228.73499	2.2
231.13948	2.9
241.15874	6.8
245.15381	2.6
251.14320	3.4
259.16904	5.5
269.15326	12.4
277.21317	2.7
279.15994	3.2
281.17444	58.6
287.16498	15.7
317.25519	2.2
343.18921	2.5
351.18015	4.4
361.20007	3.1
370.55292	2.2
407.20532	2.8
425.21506	6.5
487.30338	39.4
501.31671	7.4
567.32947	9.9
582.36853	2.3
624.90649	2.8
627.58881	2.6
631.34802	8.0
649.36578	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01857	1.3
55.05491	2.0
57.03409	1.2
57.07055	0.4
62.85355	0.3
67.05502	1.6
68.77113	0.3
69.03413	2.8
69.07055	4.5
69.71397	2.5
71.04981	1.7
78.08257	0.3
79.05470	5.3
81.03405	0.9
81.07040	8.0
83.04974	1.3
85.02869	0.6
85.06548	0.7
87.81895	0.3
91.05460	3.9
93.07027	16.7
95.04944	2.0
95.08590	2.3
97.06512	2.9
99.04436	2.9
103.05453	0.4
105.06328	0.6
105.07011	9.1
107.01333	0.5
107.04924	0.4
107.08574	16.6
109.02849	0.5
109.06505	3.8
111.08056	2.2
111.11713	0.5
115.05426	0.5
117.06998	2.2
119.08553	3.2
121.06492	5.0
121.10119	11.6
122.38383	0.3
123.08044	1.5
125.05962	0.6
127.03890	0.8
127.07503	1.2
130.07745	1.2
131.08522	1.3
135.08029	1.7
135.11668	4.2
139.11163	1.3
143.08525	0.7
145.10095	11.4
147.07962	0.5
147.11674	1.7
149.05974	0.4
149.09583	6.6
151.07538	0.5
153.01759	0.4
155.04889	0.9
155.08519	0.6
158.07254	0.4
163.11151	24.7
164.11433	0.5
167.10638	10.6
169.08572	8.5
173.09584	3.0
173.83815	0.4
181.12213	3.7
183.04402	1.1
185.11678	1.0
187.03929	0.6
191.10626	11.2
201.05441	1.3
204.97386	0.4
209.11682	6.1
211.03876	5.6
219.02881	0.6
225.05464	0.8
227.12747	11.7
228.13335	0.4
229.04909	3.9
239.03354	1.1
241.04936	0.4
245.04483	0.8
253.05011	0.5
256.03699	0.8
257.04404	37.9
258.04727	0.5
260.03131	1.1
261.03882	7.9
263.01846	0.6
267.02844	3.6
271.05930	3.0
273.03891	23.0
274.04364	1.6
281.04501	0.9
284.03140	0.3
285.03888	100.0
286.04202	2.7
287.01938	0.8
287.05438	1.0
295.05911	1.1
297.03903	2.4
298.04691	0.4
299.01837	0.9
299.05399	7.7
299.96033	0.4
301.03415	0.7
303.04938	46.2
304.05362	1.0
311.05545	0.9
313.03827	0.3
313.07056	1.3
315.05096	0.4
323.05499	1.7
325.03290	0.6
327.04919	12.7
337.07388	0.4
339.04901	4.6
341.06610	1.1
345.05798	0.6
351.04944	2.3
357.05807	2.8
369.06006	8.6
371.16812	0.8
387.07080	5.9
405.08032	6.0
467.16891	0.6
493.14740	1.0
511.15845	3.2
529.17017	5.9
631.19897	1.2
649.21252	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	647.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	3.1
70.06586	4.4
70.18623	2.7
70.67828	0.4
71.08247	0.8
71.08622	13.4
72.08152	0.6
81.03423	0.5
84.08131	5.4
85.02916	0.7
85.07647	0.5
91.05495	0.6
97.02902	0.7
99.08080	21.5
109.60525	0.5
110.09676	1.2
121.02837	1.3
128.10701	1.6
137.05917	0.6
153.01758	0.8
156.13817	100.0
157.14163	1.5
167.07034	0.6
185.16446	0.6
225.19577	25.6
226.19873	0.7
227.49933	0.5
254.96172	0.5
270.17764	0.6
273.03970	1.4
281.04324	0.9
283.05927	1.0
285.03915	4.0
294.05209	0.9
295.05862	1.2
297.03967	3.0
297.07397	1.7
299.05466	0.9
307.06036	3.7
309.07587	1.9
310.04614	1.0
311.05579	2.5
311.08786	0.8
312.06003	0.8
313.06946	1.6
318.04977	0.6
321.07501	0.9
322.07196	1.2
323.05316	1.1
325.07016	16.7
326.07245	0.8
327.08694	1.6
328.10352	0.7
333.07489	1.2
337.06906	2.5
339.08618	0.9
347.09250	0.8
351.04825	1.2
351.08728	2.7
355.08014	1.8
361.07156	0.6
363.08658	0.7
365.06216	0.9
365.10019	3.2
375.08755	1.4
379.08005	1.6
382.12906	0.7
391.07986	1.9
393.09399	1.4
403.08087	2.1
421.09012	2.2
434.12540	0.7
436.14249	0.6
439.10196	0.7
460.13800	0.8
474.13922	1.1
478.15366	0.6
485.19907	1.5
497.22699	5.5
527.23737	5.4
551.23846	10.3
551.32062	0.8
575.23425	2.4
581.24872	4.8
593.24976	5.8
611.15985	0.8
611.25928	15.2
629.26917	41.2
630.27045	1.8
647.25702	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	647.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01844	1.8
55.05490	5.3
57.03436	0.7
65.03903	1.1
67.05495	12.7
68.73471	0.7
69.03422	6.4
69.07044	1.7
70.06573	1.2
71.04948	1.6
72.08171	0.8
77.03884	0.9
79.05077	1.2
79.05482	12.5
81.03417	1.4
81.07042	5.3
83.04955	4.9
84.08168	0.7
85.02878	1.2
90.59248	0.7
91.05465	9.4
93.07024	5.2
95.04947	8.2
95.08578	4.0
96.88260	0.7
97.02863	0.9
97.06513	4.0
99.04449	5.5
103.05473	1.1
105.07006	15.2
107.04932	16.1
107.08549	3.2
109.06484	8.6
109.10136	45.2
111.04407	5.0
115.05424	1.5
117.07006	3.4
119.08545	8.9
121.06476	2.5
123.04436	0.9
123.08035	2.1
125.05970	0.9
128.06194	6.8
129.06998	2.1
130.07858	1.0
131.08536	1.8
133.06502	1.7
133.10106	13.3
135.08047	1.0
137.09590	55.7
138.09929	0.8
143.06920	1.1
143.07338	1.0
143.08540	18.7
145.06416	1.5
145.10098	3.5
146.07233	5.6
147.08031	12.7
151.07510	1.7
151.11172	1.0
153.01869	0.8
155.04906	1.5
156.13855	0.8
159.08040	1.1
161.09590	100.0
162.09941	1.8
163.11154	2.4
165.09090	71.3
166.09404	1.2
171.08052	2.4
173.06030	0.8
174.06757	2.0
179.10652	10.1
182.07414	0.7
183.04367	1.3
189.09067	15.5
197.11699	2.6
198.45490	0.7
201.05388	1.2
207.10136	28.7
211.03906	7.0
225.05360	1.5
225.11183	5.2
229.04939	4.4
229.31445	0.9
239.03302	0.9
253.04916	0.7
256.03464	1.2
257.04407	47.5
258.04800	1.3
260.03198	1.3
261.03870	6.6
267.02792	2.4
271.05960	2.8
273.03903	29.9
274.04468	1.7
285.03891	92.8
286.04306	3.4
287.05426	0.9
295.06067	1.7
297.03906	3.5
299.02133	1.6
299.05353	7.8
301.03531	1.1
303.04947	40.9
304.05289	1.6
311.05573	0.9
313.06989	2.4
323.05466	2.1
327.04941	16.3
339.04944	4.5
351.04852	4.5
357.05984	7.2
358.06033	0.8
369.01700	1.2
369.06018	15.3
387.07010	7.3
387.16461	5.4
405.08029	11.4
423.09232	6.9
458.85065	0.8
509.14261	0.8
527.15320	2.1
629.18195	1.7
647.18921	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51688	1.6
53.03932	4.3
55.01861	17.0
55.05502	40.2
56.73367	1.5
57.03430	13.2
57.07058	8.6
60.50404	1.7
65.03906	4.5
67.05493	82.9
68.05810	5.0
69.03391	3.8
69.07052	27.5
71.04982	7.5
71.08625	17.1
71.70137	2.8
79.05022	3.3
79.05477	65.8
80.05807	4.4
81.03391	4.5
81.07040	100.0
82.07375	5.9
83.04963	12.4
83.08604	30.5
85.06526	7.8
85.10172	5.7
87.04453	3.1
89.06028	4.4
90.85988	1.5
91.05463	74.2
91.06048	3.7
92.05768	2.5
93.07026	78.3
94.07376	5.1
95.04951	19.2
95.08587	64.1
95.09200	3.0
96.08925	4.0
97.06503	10.9
97.10146	6.3
99.08084	18.0
103.05391	1.7
103.19101	1.7
105.04542	2.1
105.07013	69.3
106.07355	2.9
107.04936	5.7
107.08575	40.1
108.08901	2.2
109.06499	16.1
109.10142	22.8
110.06818	2.4
110.10468	2.9
111.08048	19.1
113.05982	3.3
113.09608	8.0
114.06351	1.9
117.07010	19.4
119.08550	62.0
121.10118	30.6
123.08041	8.1
123.11677	10.5
125.09599	6.1
128.06209	2.9
129.06981	12.8
131.08539	28.9
132.08974	1.8
133.08548	4.1
133.10103	42.2
135.08026	7.9
135.11656	24.5
137.09619	4.9
137.13243	2.3
139.11154	4.9
141.06918	2.9
142.72903	1.8
143.08539	13.2
145.10083	26.5
147.08052	4.5
147.11658	47.7
149.09595	5.7
149.13240	19.5
151.11134	11.3
153.12759	2.5
157.10081	12.5
159.11655	21.1
161.09610	4.3
161.13242	38.4
163.11174	8.1
163.14789	5.5
165.12732	17.6
169.10074	4.2
171.11678	14.0
173.13258	13.4
175.11134	5.5
175.14752	13.2
177.12674	4.1
179.14284	13.4
180.14600	2.5
181.12251	1.9
185.13272	8.8
187.14835	5.8
189.11188	2.5
189.12741	4.6
191.14232	2.5
193.12242	1.8
193.15787	2.0
197.13226	2.2
199.14798	4.6
213.16359	3.2
217.16057	1.9
217.19466	5.0
227.12773	4.9
227.17860	2.9
231.20993	9.4
241.19469	27.8
243.20795	2.0
249.22078	3.4
256.49695	1.9
257.19019	2.7
259.20523	62.3
260.20914	2.7
261.21924	3.4
273.18457	4.2
275.20020	6.7
277.21579	53.8
278.21902	2.6
291.19577	6.4
292.19791	4.8
293.20480	3.3
295.22598	13.5
315.23083	3.8
333.24191	50.9
335.25751	7.4
336.26163	4.9
337.27054	3.1
351.25226	14.2
367.24524	5.6
369.26309	24.0
383.26395	2.1
517.40265	3.2
535.41968	3.2
553.42279	5.3
609.44763	4.9
627.45862	24.8
645.46875	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	645.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.2
55.01871	12.6
55.05235	3.1
55.05503	51.2
57.03429	12.8
57.07061	3.5
65.03935	6.0
67.05495	100.0
68.05841	3.3
68.16337	2.1
69.03409	3.3
69.07059	31.6
69.89245	9.5
69.89652	4.9
70.07385	2.3
71.04977	6.1
71.08615	7.2
71.43256	1.8
73.16222	2.2
79.05485	70.5
81.03398	6.0
81.07047	92.4
82.07372	4.6
83.04971	17.5
83.08607	36.8
85.02894	5.1
85.06530	4.8
85.10171	3.6
87.04437	2.5
91.05466	41.2
92.05785	3.6
93.07030	68.2
94.07418	2.2
95.04958	79.2
95.08592	58.4
97.06521	9.0
97.10172	16.6
98.21378	2.7
99.04446	3.8
99.08060	7.6
105.07018	44.1
107.04936	9.7
107.08576	58.1
109.06500	11.1
109.10136	34.1
111.04430	12.7
111.08058	11.2
117.07006	14.4
119.08550	31.0
121.06504	6.5
121.10130	35.4
122.10430	2.4
123.08055	9.5
123.11700	9.0
125.09613	17.1
129.07014	7.6
131.08545	27.7
133.10127	26.1
135.08057	7.6
135.11665	19.6
137.09563	3.2
139.11197	3.5
143.08549	4.7
145.10104	25.8
146.10449	3.0
147.08002	6.2
147.11674	18.8
149.09590	30.7
149.13263	8.8
151.11185	5.3
155.08508	4.8
157.10129	6.2
159.11664	12.5
161.09520	3.5
161.13239	9.9
163.11147	23.1
163.14818	3.6
165.12755	8.5
169.10179	2.7
171.11684	6.5
173.11789	3.0
173.13275	6.2
175.11211	2.8
175.14812	4.5
177.12706	5.1
179.14220	2.8
187.14781	5.3
189.11229	17.6
191.10558	2.3
195.11542	2.4
199.14832	2.8
205.12231	3.9
210.52484	2.1
223.13274	44.3
229.19586	3.3
243.21223	4.0
257.19019	6.8
259.20551	3.2
261.22122	11.9
275.20020	59.7
277.21579	8.6
293.21054	38.8
294.21619	3.0
295.22586	5.3
317.24707	4.1
335.25793	62.8
336.26166	4.0
337.27362	5.4
349.23657	5.2
351.25125	4.7
367.24744	32.7
449.71576	2.4
553.42065	3.7
609.44666	6.4
627.46014	42.9
628.46704	3.2
645.47229	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	645.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01852	12.4
55.05505	55.4
55.29782	2.6
57.03428	10.8
57.07064	5.9
65.03922	6.8
65.26809	3.0
67.05134	6.1
67.05498	100.0
68.05799	2.7
68.57241	2.6
69.03413	6.8
69.07064	31.9
71.04981	7.7
71.08599	4.3
79.05482	80.8
80.05831	3.2
80.41073	2.8
81.03405	9.6
81.07045	99.9
82.07375	3.2
82.29118	3.1
83.04957	14.2
83.08620	31.3
85.02885	4.1
85.06518	6.5
85.10178	2.8
89.06044	3.4
91.05470	51.9
92.05817	3.0
93.07035	77.8
95.04956	75.0
95.08593	75.2
97.06519	7.1
97.10146	21.4
98.21498	4.0
99.04417	5.6
99.08107	6.4
105.07020	48.5
107.04945	10.8
107.08579	52.9
109.06533	13.1
109.10143	34.0
111.04439	14.5
111.08076	9.7
113.09638	5.6
117.07049	17.7
119.08559	35.7
121.06488	7.6
121.10130	36.6
123.08057	8.7
123.11691	10.4
125.09602	15.4
129.07005	5.7
131.08553	27.0
133.10104	23.6
135.08047	6.4
135.11694	26.4
136.11914	3.4
137.09615	5.2
139.11192	3.6
143.08580	7.1
145.10097	26.7
147.08012	7.1
147.11678	15.5
149.09587	34.5
149.13266	7.7
151.11179	3.3
155.08507	2.8
157.10094	4.8
159.11723	14.4
161.09573	4.3
161.13225	9.1
163.11186	28.9
163.14833	6.0
165.12718	5.0
167.08438	3.3
169.10033	3.3
171.11679	5.7
173.13245	9.1
175.14810	4.7
179.14337	6.0
181.12189	5.7
185.13147	5.0
187.11151	4.4
187.14780	3.9
189.11186	17.5
189.12680	3.1
197.13173	3.6
199.14687	2.7
201.16359	4.5
205.12234	4.4
223.13248	52.5
226.10640	2.9
227.12767	5.7
229.19563	4.7
243.21042	3.8
245.30052	2.8
257.18951	8.9
261.22098	19.9
273.18616	3.3
275.20023	67.2
276.20306	3.6
277.21582	17.1
291.19589	4.2
293.21078	42.5
295.22681	4.8
317.24661	6.5
335.25763	93.8
336.26053	3.5
349.23672	7.5
351.25110	10.7
367.24799	25.8
441.34656	2.8
609.44958	10.7
627.46149	49.8
645.46893	11.6
661.87451	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	645.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01876	8.7
55.05504	39.8
57.03431	10.6
57.07063	2.5
63.05348	1.4
65.03922	3.9
65.04512	1.3
67.05495	69.3
69.03402	3.9
69.07062	24.0
69.37952	7.8
69.38375	7.9
71.04982	5.1
72.18095	1.3
79.05482	60.4
81.03411	6.0
81.07047	65.1
83.04968	12.8
83.08613	25.1
85.02901	3.3
85.06512	3.5
91.05466	37.3
93.07032	66.0
95.04955	63.3
95.08595	44.0
97.06532	6.9
97.10148	15.7
98.21512	3.0
99.04434	5.7
99.08089	3.9
105.07012	32.0
107.04959	6.4
107.07828	2.2
107.08580	40.4
109.06502	8.5
109.10144	21.8
111.04433	12.9
111.08066	6.0
115.05402	2.1
117.07005	10.6
119.08563	22.9
121.06505	5.7
121.10133	30.6
122.10394	1.9
123.08079	6.1
123.11687	6.1
125.09616	12.7
128.06224	1.5
129.06975	4.6
131.08549	20.8
133.10110	16.8
133.44112	1.4
135.08022	5.1
135.11673	16.8
137.09581	2.6
137.13292	1.4
139.11137	1.5
143.08517	2.5
145.10117	20.5
147.08038	4.5
147.11688	12.4
149.09584	21.3
149.13255	6.7
150.29677	1.4
151.11148	1.8
153.09065	1.3
153.12703	2.3
155.08522	1.6
157.10110	2.1
159.11691	10.7
161.09645	1.7
161.13239	7.5
163.11168	21.5
163.14755	3.2
165.12849	3.2
167.10655	2.1
169.10080	2.7
171.10280	2.0
171.11684	4.4
173.09531	2.5
173.11917	1.9
173.13235	7.6
175.11185	1.9
175.14827	1.9
177.12735	5.3
179.14304	3.8
181.12207	3.1
185.13304	2.9
187.11127	3.1
187.14822	3.3
189.11148	14.3
189.16405	1.8
193.12180	2.3
205.12180	3.7
205.15807	1.6
213.16299	1.4
223.13251	46.0
227.12758	3.8
229.19513	3.2
233.15346	1.5
239.18053	1.7
243.21004	2.7
247.20456	3.6
257.18915	6.8
261.22134	14.9
275.20026	63.2
277.21625	3.6
293.21066	46.4
293.23502	1.3
294.21564	2.1
317.24796	3.4
335.25760	100.0
336.25970	3.3
349.23669	5.4
351.25381	1.9
361.71106	1.4
367.24716	32.4
501.35504	1.5
517.40143	2.2
535.41199	1.6
547.39801	1.8
609.45123	4.5
627.36255	2.6
627.46039	42.1
628.45856	3.8
645.26324	2.8
645.46954	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	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.5
53.03930	6.5
55.01870	7.8
55.05274	2.1
55.05502	26.7
57.03419	10.2
57.07058	3.8
64.70814	1.3
65.03920	4.8
67.05493	82.1
68.05853	1.6
68.85963	1.5
69.03387	2.3
69.06680	2.3
69.07055	32.2
70.12223	6.3
71.04974	4.7
71.08610	2.2
77.03907	1.6
79.05478	62.0
81.03410	4.5
81.07040	100.0
82.07363	2.4
83.04967	7.7
83.08604	16.2
83.41194	1.5
85.06520	4.4
91.05465	67.3
93.07028	60.3
94.07352	2.2
95.04961	12.1
95.08588	53.6
95.09193	3.5
96.08896	1.5
97.06533	6.9
97.10172	9.0
99.08079	4.1
105.07011	76.8
106.07352	2.0
106.09933	1.4
107.04945	7.3
107.08576	41.4
108.08916	1.8
109.06499	13.4
109.10142	25.7
111.08055	6.1
115.05439	3.1
117.07005	22.7
119.08559	62.8
119.09414	3.0
120.08900	1.8
121.06457	4.3
121.10112	29.2
123.08024	6.1
123.11684	8.5
125.09608	8.9
127.07664	1.6
127.28423	1.5
128.06181	3.9
129.06990	13.1
130.07697	1.6
131.08537	33.4
133.10106	45.4
135.08060	9.0
135.11679	22.0
136.77089	1.5
137.09578	5.0
139.11168	2.5
141.06985	2.0
142.07753	1.9
143.08546	13.3
145.10106	26.5
146.82085	1.9
147.07991	4.7
147.11658	52.2
149.09581	7.6
149.13206	12.1
151.11157	4.6
153.12672	2.2
155.08476	3.4
157.10127	12.9
159.11668	20.7
161.09587	4.3
161.13225	27.8
163.11136	8.3
163.14911	1.9
165.12718	4.3
169.10161	4.7
171.11687	13.8
173.11778	2.6
173.13229	15.4
175.11176	3.4
175.14792	15.6
177.12772	2.0
181.10194	2.1
183.11630	6.2
184.85687	1.5
185.06509	2.0
185.13206	10.7
186.13637	1.7
187.11134	3.0
187.14771	5.5
189.11140	2.3
189.16470	2.1
191.14354	2.0
193.12265	1.9
195.11662	2.9
197.13174	3.9
199.14822	5.8
201.16325	3.4
203.07608	1.8
209.13269	2.1
211.14815	2.2
213.16376	4.1
215.17865	2.6
217.19484	1.5
225.13022	1.4
227.12753	1.8
229.19518	2.7
231.17441	2.4
231.21080	6.2
239.17918	4.5
241.19492	32.2
243.14394	6.3
243.21057	2.7
245.18961	1.5
247.20566	2.2
257.18921	7.4
259.20535	52.5
260.54089	1.6
261.15546	1.6
261.21982	2.7
267.15747	1.9
273.18402	4.7
275.19995	37.4
276.20276	1.9
277.21558	6.7
278.21930	1.9
291.19424	2.3
293.20978	6.4
306.81320	1.5
315.23077	5.2
326.96280	1.6
331.22678	1.6
333.19925	1.6
333.24152	45.5
334.24619	1.7
335.25723	6.7
349.23788	8.5
351.20074	14.0
351.25095	5.6
365.23376	2.5
367.24774	21.5
374.21439	2.8
533.39618	5.3
551.40814	3.3
597.45190	1.5
607.43298	8.8
625.44360	22.2
643.45709	10.4
664.93726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.01871	9.8
55.05505	30.9
55.67894	1.8
57.03428	10.8
57.07060	3.2
57.84724	1.6
65.03922	4.5
67.05493	67.0
67.66051	1.6
68.05814	2.8
69.03402	2.7
69.07055	30.4
71.04978	5.6
71.08624	3.9
71.69654	2.7
73.06525	2.0
79.05482	59.5
81.03411	4.5
81.07042	100.0
82.07359	3.1
83.04964	8.0
83.08607	19.8
85.06520	5.5
91.05463	63.5
93.07026	59.7
95.01309	1.6
95.04955	14.2
95.08588	49.3
96.08905	1.8
97.06525	15.1
97.10162	7.6
99.08069	7.4
103.05470	3.0
105.07012	65.0
105.07724	3.4
106.07362	2.9
107.04919	11.2
107.08573	36.6
108.08914	1.8
109.06503	20.2
109.10143	16.7
111.08078	8.4
113.09630	2.7
115.05440	1.9
117.07006	16.6
119.08565	56.2
121.06470	4.2
121.10121	31.0
123.08031	8.1
123.11668	8.6
125.09604	4.2
127.07552	1.9
128.06219	3.1
129.06976	10.4
131.08537	28.7
133.06480	3.5
133.10106	43.6
135.08020	5.7
135.11671	18.7
137.09595	5.5
137.13223	2.2
141.06931	3.4
143.08545	11.8
145.06470	2.1
145.10091	26.5
147.08018	2.6
147.11655	44.2
149.09608	9.6
149.13208	11.2
151.11221	4.1
155.08546	2.8
157.10110	12.0
159.11665	18.5
160.12022	1.8
161.09624	2.8
161.13242	23.5
163.11118	8.5
163.14758	2.8
165.12776	11.8
169.10112	5.8
171.11688	13.2
173.13220	14.3
175.11179	6.2
175.14775	12.5
177.12735	4.3
179.14343	4.2
183.11696	3.4
185.13191	8.6
187.14832	4.8
189.12717	2.7
197.13194	3.2
199.14780	5.9
203.14264	2.0
213.16290	2.7
217.15964	2.6
217.19426	1.8
227.12842	2.4
231.21095	3.6
239.17978	4.7
241.19453	23.3
247.20483	2.7
257.18979	8.9
259.20538	41.2
273.18478	6.4
275.20038	45.5
276.20389	5.4
277.21661	11.3
291.19522	6.3
293.21002	10.8
315.23105	4.9
326.69891	1.5
333.24155	44.8
335.25574	3.7
345.60828	1.5
348.05847	1.7
349.23608	8.5
351.25250	5.4
365.23196	3.2
367.24768	21.0
423.32220	2.5
441.18948	3.0
467.16739	2.8
501.35574	3.2
515.37695	4.6
527.37170	2.7
533.39435	3.2
545.38330	8.9
551.40454	4.1
555.22308	2.0
583.21722	10.2
589.42883	1.8
607.43335	7.1
625.44421	20.4
643.24017	3.0
643.45593	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	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.2
52.49954	1.8
53.03934	5.2
54.64014	1.3
55.01859	6.6
55.05505	29.1
57.03429	9.6
57.07052	3.2
60.53403	1.4
65.03931	2.0
67.05496	75.8
69.03400	2.7
69.07059	32.0
70.32153	7.2
71.04971	5.6
74.98267	1.5
79.05019	2.9
79.05482	58.2
81.03391	4.9
81.07044	100.0
83.04971	5.7
83.08600	14.6
83.53876	1.3
85.06522	4.8
91.05466	66.4
91.06041	3.3
92.05809	2.8
93.07027	61.3
94.07360	2.0
95.04958	13.9
95.08585	51.3
97.06517	9.8
97.10159	7.1
99.08086	3.6
105.07014	73.3
106.07319	1.3
107.04931	6.6
107.08579	36.4
109.06500	9.9
109.10147	23.5
110.10482	1.5
111.08069	6.6
113.09612	1.8
115.05394	2.6
117.07003	21.4
119.08560	63.0
121.06488	5.7
121.10126	25.4
123.08047	6.2
123.11673	9.8
125.09602	5.6
128.06210	3.3
128.63452	1.8
129.06982	10.8
131.08543	30.4
133.06450	2.9
133.10114	38.7
135.08073	7.1
135.11673	18.6
135.21912	1.3
137.09598	5.8
141.06946	3.8
142.07764	1.9
143.08521	11.7
145.10095	27.9
147.08011	2.6
147.11659	42.7
149.09605	8.0
149.13219	14.2
151.11168	5.0
155.08511	3.1
156.09329	1.9
157.10091	14.6
159.11668	19.8
161.09581	1.9
161.13235	27.4
163.11110	7.7
163.14812	4.2
165.12720	6.0
167.08551	1.5
169.10110	7.1
171.11674	17.7
173.09628	2.1
173.11818	3.3
173.13206	15.6
173.14447	1.9
175.11134	1.7
175.14804	12.1
177.12769	4.3
181.10066	2.6
183.11671	6.0
185.13243	12.9
187.14769	5.8
189.11136	2.5
189.12729	2.2
195.11865	2.0
195.13763	2.2
197.13251	4.9
199.14819	4.8
201.16347	4.0
211.14909	1.5
213.16386	3.5
215.18015	3.3
217.15785	1.6
217.19463	2.0
227.12637	2.9
229.19542	3.1
231.17377	2.0
231.20940	3.1
239.18002	3.1
241.19495	24.9
243.20992	2.0
247.20502	2.6
257.19016	10.6
259.20529	42.4
273.18390	2.6
275.20029	41.0
276.20398	3.4
277.21576	6.2
289.21640	2.5
291.19696	2.7
293.20914	7.2
315.23074	6.7
331.22601	1.6
333.24173	39.2
335.25739	3.5
349.23660	7.5
351.25174	5.0
365.22952	3.3
367.24774	21.9
504.42560	1.5
513.35547	3.3
515.37756	4.5
526.45483	1.8
527.37476	1.7
533.39532	4.8
551.40509	5.5
607.43427	9.4
625.44507	23.5
643.45569	8.7
668.10059	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.7
53.03929	5.8
55.01867	14.9
55.05502	75.8
57.03195	1.5
57.03431	12.9
57.07059	4.9
65.03916	6.1
67.05493	91.7
69.03416	4.1
69.07059	39.3
69.60426	2.1
69.60840	10.6
71.04980	11.1
71.08611	6.2
78.42005	1.4
79.05480	75.8
81.03416	8.3
81.07043	100.0
82.07372	2.4
83.04969	16.8
83.08607	48.5
85.02905	3.8
85.06528	4.2
85.25474	1.6
91.05465	87.4
93.07030	77.5
95.04952	61.4
95.08591	65.8
97.06507	14.0
97.10163	15.6
99.04439	6.4
99.08079	9.3
103.05431	3.2
105.07013	77.4
106.07330	1.6
107.04932	9.9
107.08576	53.7
109.06501	16.1
109.10146	34.2
111.04414	10.9
111.08074	9.3
113.09637	4.8
115.05447	3.2
117.06995	27.5
117.34697	1.5
119.08559	69.4
121.06487	7.6
121.10132	39.4
123.08050	10.0
123.11658	9.5
125.09612	14.8
128.06216	4.5
129.05446	2.1
129.06987	15.5
130.07771	2.3
131.08545	46.7
133.06554	1.6
133.10109	51.6
135.08003	8.3
135.11665	23.0
137.09615	7.5
137.13248	2.0
139.11185	2.7
141.06981	6.4
142.07767	3.4
143.08540	20.7
145.06493	2.9
145.08957	3.2
145.10098	45.0
147.08063	5.2
147.11661	44.4
149.09602	25.0
149.13237	15.8
149.36203	1.7
151.11153	7.6
153.08998	1.6
153.12726	4.1
155.08504	6.3
156.09276	1.6
157.10106	16.9
159.08054	2.6
159.11670	30.9
161.09589	4.6
161.13237	34.2
163.11156	25.9
163.14806	6.1
165.12740	6.7
167.08501	2.5
169.10130	10.0
171.11673	17.1
173.09569	2.3
173.11806	2.3
173.13206	17.8
175.11183	4.4
175.14783	15.4
177.12721	6.7
179.08582	1.9
179.14285	4.4
181.10112	2.9
183.11630	8.0
185.11786	3.0
185.13248	15.8
186.04973	1.5
187.11198	4.6
187.14807	6.7
187.80869	1.7
189.11194	8.5
189.12767	4.5
189.16438	3.4
191.10747	1.5
193.12303	1.7
195.11621	4.2
197.13235	6.5
199.14755	11.3
201.16408	3.2
203.14244	2.8
203.18092	2.1
205.12230	4.6
209.13295	5.0
211.14815	4.3
213.16360	5.0
215.17888	3.4
217.19397	3.4
221.13185	1.9
223.13222	36.0
225.16443	2.6
227.12810	5.7
229.14282	2.1
229.19527	3.9
231.17421	3.6
231.21083	6.6
235.14864	1.8
235.16913	1.7
239.17970	4.2
241.19473	33.5
243.20941	2.2
247.20515	2.2
257.19012	10.4
259.20532	58.5
261.22253	2.4
265.21548	1.8
273.18530	2.5
273.22067	1.8
275.20032	55.0
276.20569	2.3
277.21576	19.9
285.18378	1.4
285.22086	2.1
291.19580	3.8
293.21106	24.7
297.22247	2.3
313.21640	1.9
315.23166	9.8
317.24622	1.7
331.22733	2.2
333.24197	62.7
335.25851	3.0
338.63220	1.8
341.24536	1.9
349.23703	15.8
351.25235	6.9
367.24771	25.7
397.30945	3.2
405.31534	2.1
423.32526	2.6
441.33481	3.5
497.36096	4.3
499.33975	4.3
515.37537	5.6
517.35291	2.9
529.34869	5.0
533.39795	3.7
543.36450	3.0
545.38599	3.2
551.10114	1.7
551.40729	4.3
569.41974	2.6
597.45160	2.4
607.43524	10.2
607.52338	2.8
625.44519	52.7
626.45178	3.2
643.45453	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.6
53.03926	5.2
55.01851	6.9
55.05503	21.8
57.03419	7.0
57.07064	4.1
65.03932	3.6
67.05138	3.1
67.05496	62.0
68.05833	2.5
69.03398	3.1
69.07056	29.7
71.04977	4.8
71.08606	2.2
79.05482	52.3
81.03382	2.7
81.07043	100.0
82.07377	2.5
83.04966	8.7
83.08604	15.2
85.06546	3.8
91.05466	58.0
91.06038	3.3
92.05766	1.7
93.07033	53.4
94.07328	2.8
95.04953	12.4
95.08590	35.5
97.06513	11.2
97.10155	4.1
99.08092	3.9
99.34415	1.8
105.07014	58.2
106.07334	3.1
107.04964	8.5
107.08578	35.5
108.00536	1.4
109.06503	14.4
109.10139	13.8
111.08044	5.2
115.05453	2.6
117.07007	17.5
118.92054	1.6
119.08561	48.3
121.06493	4.2
121.10106	26.7
121.67155	1.5
123.08047	6.7
123.11675	9.8
125.09624	2.7
128.06227	1.9
129.07005	7.1
129.39336	1.6
131.08572	22.6
131.95303	1.5
133.10106	32.3
134.10455	2.1
135.08014	5.1
135.11676	17.4
137.09598	4.3
139.11191	1.9
142.07785	1.4
143.08531	7.3
145.10120	22.0
146.10492	1.9
147.08031	2.5
147.11664	42.8
149.09590	10.1
149.13225	10.6
151.11205	4.0
155.08578	3.3
157.10118	8.8
159.11653	19.2
161.09601	4.5
161.13258	21.3
163.11217	8.3
163.14847	3.3
165.12712	5.8
169.10081	3.6
171.11635	10.0
173.13205	12.7
175.11203	4.0
175.14830	10.8
177.12680	4.6
179.14322	2.1
183.11659	2.3
185.13258	8.6
187.14760	3.4
193.12207	3.1
197.13319	3.6
199.14833	4.8
201.16429	2.0
215.17960	2.3
217.19505	2.0
229.19464	3.2
229.36844	1.7
231.21063	4.8
239.17862	2.8
239.86612	1.6
241.19476	24.5
247.20622	3.0
257.18881	7.7
259.20544	38.8
273.18582	1.9
275.20032	42.4
276.20441	7.3
277.21515	10.7
291.19327	2.3
293.21149	8.5
315.23129	4.7
332.39597	1.6
333.24222	41.5
334.24692	1.9
335.67877	1.7
349.12689	1.9
349.23636	9.2
351.25000	4.6
367.24780	20.9
515.37659	5.6
533.40021	4.0
551.40674	4.0
583.20526	2.3
607.43384	4.6
625.44141	17.2
643.22272	3.5
643.45221	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	643.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85172	1.2
51.02370	1.3
51.75892	1.0
53.03923	5.2
53.19006	1.0
53.66098	1.1
55.01855	5.9
55.05501	23.5
55.83163	0.9
57.03424	10.0
57.07052	2.3
60.68777	1.2
65.03918	3.8
67.05492	58.4
69.03396	2.2
69.07058	26.6
69.34953	9.5
69.35384	5.0
71.04964	4.2
79.05479	58.2
81.03386	2.6
81.07042	100.0
82.90155	1.1
83.04969	6.3
83.08607	12.0
85.06513	5.2
91.05465	56.8
93.07030	52.1
95.04956	11.5
95.08590	40.3
97.06517	8.6
97.10152	3.4
99.08065	4.8
103.05455	2.9
105.07011	67.7
107.04960	8.2
107.08572	32.7
109.06499	16.9
109.10136	13.9
111.08023	5.7
115.05412	2.5
117.06996	14.9
119.08562	59.1
121.06459	4.5
121.10120	26.1
123.08067	8.3
123.11692	8.5
125.09622	2.2
127.07518	1.4
129.05469	1.2
129.06961	8.5
131.08554	25.4
133.06491	1.9
133.10106	42.6
135.08031	4.2
135.11670	17.3
135.31001	1.1
137.09573	4.8
142.07753	1.7
143.08582	10.0
145.10104	23.7
147.08037	3.1
147.11659	50.5
149.09592	8.6
149.13225	14.4
151.11137	3.0
155.08531	2.4
157.10103	11.7
159.11682	19.8
161.13229	29.9
163.11160	8.3
163.14827	5.8
165.12766	8.0
169.10107	3.6
171.11621	11.6
173.09639	1.6
173.13235	15.1
175.11148	4.2
175.14789	16.6
177.12720	4.4
179.14407	2.1
181.10225	1.7
183.11649	3.2
185.13249	8.5
187.11140	1.2
187.14789	5.5
189.12697	2.2
189.16267	1.6
191.14330	1.6
193.12173	1.8
195.13873	1.3
197.13249	3.3
199.14861	5.2
201.12563	1.4
201.16353	3.0
203.14362	1.6
205.15921	1.3
211.15022	1.2
213.12833	1.4
213.16566	1.9
215.14305	1.5
215.17897	2.8
217.15744	1.5
217.19519	2.4
219.13950	1.2
228.53667	1.3
229.14301	1.3
229.19521	3.2
231.17409	1.7
231.20987	5.6
239.17917	4.2
241.19489	31.9
243.21338	1.3
247.20544	4.2
257.18970	10.4
259.20541	56.8
261.21939	1.2
275.20029	44.4
276.20758	1.3
277.21591	4.2
284.52792	1.1
289.21591	1.9
291.19742	1.4
293.20935	11.7
315.23087	6.7
333.24188	60.1
335.25711	1.3
349.23749	7.9
349.27319	1.4
351.25192	4.3
367.24719	29.8
515.38031	3.2
521.74896	1.2
528.33051	1.3
533.39703	3.5
551.40765	4.9
607.43158	5.0
625.44556	12.0
643.44861	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	643.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.05501	1.3
67.05479	3.7
69.07044	1.2
79.05473	3.8
80.28046	0.7
81.07044	5.1
83.08582	0.8
91.05459	3.8
93.07022	3.6
95.08598	2.0
102.67513	0.7
105.07027	3.0
106.02245	0.6
107.08585	2.1
109.06590	0.7
109.10146	1.4
113.03904	0.7
117.07011	1.1
119.08583	1.9
121.10122	1.5
133.08589	0.9
133.10103	1.0
135.11578	1.1
139.86925	0.8
145.10078	1.0
147.11723	0.7
158.06009	0.7
202.80991	0.7
209.10703	0.8
221.10849	0.9
223.12245	0.9
224.13043	0.9
229.48325	1.0
235.12349	1.1
237.13969	1.0
246.11423	0.8
247.12331	1.3
249.13892	0.8
259.20502	1.0
260.37006	0.9
261.13614	1.8
275.15375	1.6
275.19965	0.8
277.21576	0.9
290.16870	1.0
326.16467	1.4
333.24271	1.4
338.16278	0.8
339.17148	0.9
340.18002	1.2
351.16324	1.2
352.17737	1.3
354.19455	1.0
363.16183	1.6
364.17575	1.1
365.17828	0.9
366.18707	1.3
367.19501	0.9
375.15692	1.2
376.17307	1.4
377.17642	4.8
378.18738	1.4
379.19260	3.9
381.20898	1.1
390.18665	1.1
391.18942	6.3
392.20004	2.8
393.20743	4.2
395.18643	2.9
405.20908	3.7
406.21472	3.5
407.22696	4.1
408.19174	1.6
409.20288	8.7
419.22333	1.0
421.23837	3.1
422.20975	1.1
423.21808	6.2
424.22217	0.8
439.24847	0.9
449.19974	1.0
451.21301	1.0
465.22708	5.7
466.23560	1.1
467.20419	1.2
479.24219	2.2
481.22455	1.1
493.26263	0.9
495.27420	2.2
497.25662	0.9
511.27161	7.0
525.28442	2.0
526.29449	1.0
537.24872	1.4
539.26263	1.5
541.28699	0.9
545.38855	0.9
567.29559	23.5
568.29993	2.3
569.27551	1.5
583.28979	6.4
584.29248	3.4
599.32159	100.0
600.32556	3.7
625.44318	1.2
643.31250	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	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.7
55.01788	1.8
55.05415	4.3
57.03377	1.2
57.07000	1.0
58.44458	0.7
67.05395	10.1
69.06955	3.4
71.04906	1.2
71.08517	0.8
75.00737	0.6
79.05377	8.8
79.05869	0.9
80.05728	0.9
81.03338	1.1
81.06935	16.7
81.54559	0.7
82.07313	1.5
83.04900	1.4
83.08501	3.2
85.10110	0.9
91.05347	7.8
92.05732	0.8
93.06915	8.2
93.56572	0.7
94.07277	1.3
95.04848	2.7
95.08475	6.7
97.06399	3.1
97.10079	1.3
98.21459	2.1
98.81254	1.0
99.07972	1.3
105.06894	6.7
106.07257	1.1
107.04815	1.7
107.08444	6.1
108.08824	0.8
109.06495	5.1
109.10029	2.5
109.64257	0.6
117.06866	2.3
119.08562	5.5
120.08832	1.1
121.09990	2.7
121.10775	0.7
123.07957	1.4
123.11577	1.6
125.09514	1.3
129.06886	1.3
131.08565	3.9
133.10114	4.4
135.07935	1.5
135.11612	1.6
137.09489	0.9
141.66193	0.7
143.08391	1.7
145.10124	3.5
147.11514	2.9
149.09450	2.0
149.13171	1.7
151.11107	1.0
155.08405	0.7
157.10060	1.5
159.11499	1.5
161.09486	0.9
161.13062	2.3
163.11079	1.6
165.12601	2.6
169.09958	1.4
173.13162	1.9
175.14720	0.9
179.14203	1.0
196.17422	0.7
202.48967	0.7
257.18832	1.5
259.20294	1.7
269.63409	0.7
273.18030	0.9
275.20062	8.0
276.20328	4.4
277.21616	4.3
293.20972	1.1
295.22424	1.6
333.24182	1.2
343.61923	0.9
349.23584	2.8
350.23892	1.6
351.24957	1.7
396.12164	1.7
397.12772	1.5
409.13089	1.3
410.13696	2.9
411.14624	6.1
412.15152	3.9
413.15936	1.9
423.14401	2.2
424.10678	1.0
424.15170	2.6
425.16107	12.6
426.16904	7.0
427.17343	1.8
438.13159	3.1
439.13428	13.2
440.18890	5.6
441.19247	31.2
442.19418	2.0
452.14810	2.9
453.15268	15.2
454.15649	4.7
456.18811	0.9
467.17096	24.6
468.17813	12.3
469.18811	9.1
470.18829	1.3
471.16650	1.0
481.14725	13.2
482.15854	2.2
485.18573	0.8
495.16815	2.5
496.17184	11.3
497.17865	2.4
509.18228	0.9
512.20447	1.0
514.21973	2.0
523.19482	1.4
527.22815	2.7
545.38098	1.6
555.22314	31.7
556.22449	2.1
583.21814	100.0
584.22137	7.2
587.24890	2.2
607.43695	0.9
611.21027	1.1
615.24353	15.3
616.25012	0.9
624.43335	1.1
625.44281	3.9
643.23859	56.3
643.45313	5.9
644.24036	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03938	6.1
55.01868	13.0
55.05504	53.0
57.03423	9.0
57.07052	3.3
62.13613	1.2
62.74554	1.1
65.03927	6.0
67.05493	74.8
68.05817	1.7
68.99775	3.1
69.03408	3.5
69.07058	34.8
69.34938	4.4
69.35355	10.4
70.92391	1.1
71.04976	4.1
71.08618	2.2
77.03911	1.7
79.05482	60.6
81.03394	6.1
81.07043	100.0
82.07368	1.6
83.04967	12.1
83.08607	39.7
85.02899	1.3
85.06528	3.0
86.66454	1.2
91.05468	63.8
93.07028	58.5
95.04956	20.5
95.08592	53.1
97.06521	13.7
97.10154	7.8
99.08074	3.8
101.05939	1.3
103.05473	1.3
105.07017	59.1
107.04243	2.0
107.04939	23.6
107.08575	37.6
109.06496	20.4
109.10136	26.4
111.04417	2.5
111.08070	12.5
113.06001	2.3
115.05444	2.8
116.06236	1.2
117.06995	22.5
119.08560	43.9
121.06481	7.2
121.10128	22.7
123.04427	2.0
123.08041	8.7
123.11717	8.0
125.05967	2.4
125.09612	4.7
128.06189	3.8
129.06982	16.1
131.04880	1.5
131.08545	35.5
133.06473	4.7
133.09055	1.9
133.10106	38.6
135.08038	8.0
135.11665	15.7
137.09579	5.2
137.13264	1.9
139.07523	3.2
139.11209	1.8
141.06931	5.1
142.07675	3.9
143.08548	16.6
144.09227	1.3
145.06459	4.5
145.10097	32.2
145.70836	1.3
147.08046	6.4
147.11668	28.4
149.09599	12.3
149.13214	8.6
151.07533	1.8
151.11118	7.8
153.12717	1.8
155.08528	9.4
157.06496	1.7
157.10101	16.5
159.08020	3.8
159.11688	21.9
161.09616	5.9
161.13197	14.0
162.77196	1.6
163.11176	13.2
163.14804	2.5
165.12703	7.2
167.08507	4.4
168.09346	1.3
169.10123	9.4
169.12346	1.5
170.10789	1.4
171.08130	1.3
171.11684	17.0
173.09627	4.4
173.13222	13.6
175.11139	5.6
175.14795	5.5
177.09169	1.9
177.12724	3.6
179.08562	1.6
179.10701	1.4
179.14359	2.7
180.77583	1.3
181.10085	4.8
183.11644	9.6
183.26889	1.4
185.09607	2.5
185.13216	10.7
187.11154	3.3
187.14700	6.1
189.12714	2.6
191.10530	1.7
193.10085	4.1
193.12096	2.4
195.11664	5.4
195.13638	2.6
197.13245	9.0
199.11186	1.9
199.14818	6.0
201.12721	3.6
201.16371	1.8
203.14244	1.5
207.11708	2.7
207.13681	1.8
209.13211	4.6
211.14796	3.2
213.12747	2.3
213.16339	3.5
215.14328	2.7
219.13803	1.7
219.17363	1.5
221.13322	2.0
221.15315	1.4
221.77901	1.3
223.14871	3.5
225.16316	1.9
227.17915	2.9
229.15965	1.6
229.19467	4.3
233.15338	1.8
237.16435	2.6
239.17873	3.4
241.19522	6.5
243.17467	1.3
245.19225	2.4
247.20551	4.3
253.14154	7.1
255.17418	1.4
257.18976	7.7
259.20554	9.5
263.20099	1.6
267.15869	1.5
273.18515	7.6
275.20023	44.5
276.20499	2.0
277.21838	1.9
285.18066	1.4
287.20053	2.4
289.18063	6.4
291.19482	10.8
293.21054	11.2
295.20520	1.7
297.22086	1.4
327.22980	1.8
331.22659	1.7
333.24203	9.1
335.25989	1.8
339.22964	2.1
349.23648	19.8
355.26132	1.3
363.21741	1.8
365.23221	5.1
367.25018	1.6
379.25308	1.3
391.29822	2.0
395.29126	1.8
409.30978	3.8
419.28934	1.5
455.31369	1.9
483.34723	2.7
487.34097	11.0
501.35831	15.7
503.37424	4.7
511.34235	4.7
513.36206	5.3
525.35547	3.3
529.35205	4.2
531.38220	6.8
543.36621	5.6
549.39349	4.9
554.36115	1.9
567.40472	5.7
587.40338	1.4
595.41107	3.8
605.41840	8.2
623.42877	39.8
624.43188	1.5
641.43988	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	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03928	5.5
55.01863	15.8
55.05503	34.5
57.03439	6.6
64.64241	1.1
65.03931	4.9
67.05495	61.8
69.03403	3.2
69.07060	35.9
69.72421	6.7
69.72831	3.0
71.04974	4.2
77.03893	1.9
79.05483	68.4
81.03407	4.6
81.07045	100.0
83.04976	8.0
83.08608	16.3
83.49075	1.3
85.06516	3.3
91.05467	58.7
93.07033	47.0
95.01321	1.6
95.04951	17.0
95.08593	34.8
97.06523	22.9
97.10154	10.1
98.20679	1.8
99.08064	2.8
103.05458	1.9
105.04523	1.6
105.07014	56.7
107.04948	17.4
107.08580	45.6
109.06501	23.4
109.10130	20.3
111.04421	1.5
111.08083	6.4
116.06140	1.7
117.07005	18.2
119.07734	2.3
119.08564	41.4
121.06500	5.8
121.10132	21.4
123.08051	6.5
123.11690	8.6
125.09646	5.8
128.06219	2.8
129.06955	7.1
130.07788	1.6
131.08542	26.1
131.09459	2.2
132.98100	1.2
133.06485	3.8
133.09181	2.0
133.10117	31.1
135.08037	5.7
135.11682	8.8
137.09570	5.8
141.06924	2.5
142.07773	1.3
143.08546	9.0
145.06491	1.9
145.10103	30.2
147.08034	2.5
147.11670	24.0
149.09587	14.7
149.13234	8.1
151.11172	4.4
155.08501	3.0
157.10107	10.1
159.08067	1.6
159.11676	17.9
161.09604	2.8
161.13246	8.7
163.11176	13.3
163.14813	1.7
165.12709	6.4
167.08495	1.5
169.10091	7.3
171.11688	8.4
173.09706	2.4
173.11929	1.9
173.13239	9.9
175.11180	3.6
175.14806	2.9
177.12769	4.8
179.14301	5.6
181.10054	1.8
182.10869	1.2
183.11635	5.5
185.13269	3.5
187.11162	3.4
187.14803	3.6
189.11198	4.8
189.12720	1.8
191.14363	1.7
195.11563	1.2
195.13733	1.4
197.13278	5.1
199.14725	2.0
201.12738	2.5
201.16403	1.6
205.12296	1.5
205.15849	1.9
209.13219	1.6
211.14813	2.4
215.14285	1.5
223.13138	2.3
227.12714	4.8
229.14166	1.3
229.19510	4.5
230.19891	1.3
239.17851	6.5
247.20482	6.8
257.18961	18.0
259.20496	2.2
267.15985	2.4
273.18579	1.5
275.20032	95.7
276.20447	4.1
291.19440	3.3
293.21054	11.0
303.22934	1.4
309.63297	1.2
313.22003	1.5
331.22589	4.2
333.24603	1.5
349.23654	31.0
350.23880	1.6
367.25244	2.1
379.69547	1.2
468.34692	1.3
498.22073	1.3
513.36859	1.8
531.38684	1.7
549.39050	3.4
567.40027	2.3
581.19794	5.5
582.20465	1.6
599.21057	2.1
605.41095	2.4
623.42841	20.8
641.21924	8.6
641.43982	35.0
642.22662	2.2
642.43896	2.5
655.36230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
54.65005	1.3
55.01864	25.8
55.05237	2.6
55.05503	47.9
57.03425	7.8
57.07069	2.1
59.05010	1.6
62.33969	1.4
65.03922	4.6
67.05495	70.2
69.03419	3.7
69.07059	41.7
70.33325	6.1
71.04977	6.7
79.05484	59.0
81.03401	6.8
81.07043	100.0
83.04971	12.1
83.08160	2.4
83.08610	25.3
85.06535	3.5
86.43184	1.7
89.78398	1.5
91.05466	64.5
91.33237	1.3
92.47097	1.9
93.07035	55.6
95.01316	6.5
95.04948	21.5
95.08589	45.6
97.02879	3.0
97.05935	2.9
97.06512	29.4
97.10152	16.7
103.05449	3.2
105.07011	74.5
107.04933	18.8
107.08572	34.9
109.06504	18.6
109.10139	17.9
111.08083	6.8
115.05402	2.3
117.07005	24.6
119.08560	50.3
121.06497	5.6
121.10126	22.7
123.08031	6.8
123.11684	6.4
125.09603	16.1
128.06161	2.6
129.06978	15.1
130.07651	1.7
131.08543	33.6
133.06448	2.7
133.10107	44.1
135.08049	6.5
135.11656	13.2
137.09584	5.1
137.13240	1.9
139.07506	2.0
141.06947	4.3
143.08527	13.2
145.06422	1.7
145.10091	27.2
147.08023	3.7
147.11671	31.8
149.09607	12.5
149.13231	9.0
151.11148	4.3
155.08533	7.5
157.10095	14.4
159.07988	2.5
159.11674	18.9
160.12050	1.5
161.09593	2.3
161.13217	14.2
163.11169	9.5
163.14870	2.3
165.09067	2.6
165.12712	5.0
167.08542	1.9
169.10060	8.0
171.11659	9.4
173.09601	1.7
173.13229	10.7
175.11183	2.7
175.14799	6.7
177.12711	3.7
179.14314	12.1
181.10106	3.3
183.11661	10.1
185.13280	9.0
187.11087	3.1
187.14784	5.4
189.11183	7.3
189.12697	2.5
193.12209	2.8
195.11748	3.5
197.13268	8.6
199.14751	4.8
201.12585	2.2
209.13191	4.3
211.14793	3.8
213.16335	3.8
215.18037	1.6
223.13168	4.4
223.15039	1.8
225.16360	2.3
227.12769	8.4
229.19589	2.8
231.21097	2.1
237.16418	2.1
239.18018	4.0
241.19547	9.6
247.20508	5.1
255.17439	1.7
257.18973	8.1
259.20523	18.7
261.21960	2.0
273.18539	4.0
275.20032	76.4
276.20404	3.0
277.21823	1.9
285.22223	3.3
291.19501	28.2
293.21082	8.2
329.79504	1.6
331.22604	2.4
333.24023	10.5
349.23685	19.5
363.26590	2.0
365.23224	9.0
379.30161	3.0
381.27979	2.7
511.33862	2.7
513.36444	2.7
529.34949	3.3
531.38074	3.3
543.36908	2.8
549.39392	3.2
595.42603	2.0
605.42029	6.0
623.42926	37.4
624.43298	2.4
641.34552	2.3
641.44061	25.4
642.44025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03931	1.6
55.05504	5.7
57.03434	3.5
61.02913	4.6
65.03924	1.2
67.05153	0.7
67.05493	14.1
69.03397	1.6
69.07043	3.3
70.06573	2.2
70.86685	2.8
71.04978	0.9
72.08135	1.1
73.02898	1.3
79.05483	20.9
81.03407	3.8
81.07049	12.3
83.04969	5.6
83.08581	2.6
84.08090	0.9
85.02901	4.7
85.06493	1.3
86.09707	1.7
91.03947	3.4
91.05467	13.8
93.06435	0.9
93.07030	18.4
95.04945	4.8
95.08600	7.1
97.02864	2.1
97.06493	1.8
97.10143	1.8
100.11214	0.9
103.05436	0.7
105.07018	11.5
107.04938	2.7
107.08590	4.9
109.06470	1.8
109.10117	2.6
117.06987	2.3
119.08571	8.7
121.02832	2.7
121.06490	1.2
121.10114	1.1
123.08017	1.8
127.03908	2.2
127.07578	0.9
128.06204	1.1
129.06963	5.1
131.08499	0.8
133.10120	4.0
135.11673	1.7
137.05890	1.2
143.08510	2.5
145.04941	1.1
145.10088	4.0
147.04388	0.8
147.11668	11.9
156.13846	0.8
161.09601	1.0
161.13245	3.4
163.05980	1.8
167.07045	3.0
171.11679	8.3
181.04929	3.1
189.12732	2.1
207.13788	5.6
210.14931	1.1
281.17441	100.0
282.17700	3.3
285.03998	1.4
409.99869	0.8
443.23047	3.4
537.84216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.3
55.01859	14.4
55.05500	43.9
56.96549	5.7
57.03428	26.4
58.28181	2.7
61.02912	47.4
65.03926	5.3
67.05492	73.9
67.39572	2.9
69.03414	37.7
69.07047	34.4
70.06538	2.6
70.13102	15.2
71.01350	6.0
71.04962	12.2
73.02897	27.8
73.25748	3.0
79.05479	83.9
79.64607	3.4
81.03400	39.5
81.07045	81.6
83.04990	18.8
83.08600	24.6
85.02895	48.9
85.06498	6.0
85.21884	3.1
85.77818	3.2
85.83142	3.0
87.04464	3.4
91.03941	19.0
91.05463	65.2
93.07030	73.3
95.04951	28.2
95.08584	44.0
97.02870	41.6
97.06525	10.2
97.10143	18.8
98.97578	14.6
99.04432	10.0
101.02359	7.3
103.03893	6.4
103.05450	4.0
105.07018	52.9
107.04953	20.5
107.08579	48.4
109.02873	12.1
109.06506	19.9
109.10130	18.0
111.04414	9.0
111.08082	7.5
115.03864	5.0
115.05466	8.9
116.98629	8.8
117.06994	31.6
119.08566	50.5
121.06498	11.4
121.10140	24.2
123.04407	7.2
123.08050	9.2
123.11690	6.5
125.09623	16.5
127.03883	20.0
128.06178	10.4
128.98599	4.7
129.05492	6.3
129.06979	33.4
131.00163	9.6
131.04903	7.0
131.08548	40.5
133.06483	12.1
133.10109	27.4
135.08058	12.0
135.11653	15.5
137.05992	2.9
137.09599	4.8
141.06963	12.5
142.07738	6.4
143.08565	31.7
145.04968	4.4
145.06459	17.3
145.10101	33.1
147.08031	11.2
147.11641	23.4
148.49591	3.1
149.01199	15.5
149.09630	7.0
149.13274	10.4
151.11093	3.4
153.06940	4.8
154.07791	6.5
155.08533	23.5
156.03610	5.2
157.06471	5.9
157.10123	25.1
158.99641	9.2
159.08049	14.8
159.11679	17.9
161.01189	3.5
161.09631	8.8
161.13213	7.0
163.11162	10.9
165.07059	4.6
166.07724	4.7
167.08543	10.2
169.06459	5.2
169.10104	22.7
170.99625	6.6
171.08066	11.7
171.10400	4.5
171.11595	17.5
173.04427	4.9
173.09622	8.4
173.13284	8.7
175.11214	3.9
175.14717	3.2
177.00723	12.0
178.07794	3.1
179.08473	6.2
181.10100	11.7
182.10864	4.0
183.08060	6.9
183.11668	13.8
185.09575	9.8
185.13248	8.8
187.11194	8.6
187.14842	7.4
189.00719	10.8
189.11165	10.8
189.12775	4.6
191.10690	3.7
193.10136	6.7
195.08025	9.1
195.11668	9.9
197.09647	9.4
197.13225	13.2
199.11214	7.8
199.14845	5.5
201.12772	5.9
203.02237	5.1
205.15834	7.9
207.11687	4.8
209.09689	5.6
209.11533	6.8
209.13275	9.7
211.11176	6.2
211.14775	5.3
213.12720	5.9
213.16440	4.3
215.14325	5.4
223.11188	5.4
225.12766	9.1
227.12636	17.3
229.12256	3.3
233.15343	21.6
237.12704	4.0
237.16568	3.3
239.14273	5.7
241.19426	5.7
257.19177	5.4
259.20538	7.9
261.02859	3.4
261.14832	4.3
273.18533	5.1
275.19989	15.2
277.21710	17.5
283.15506	5.7
293.05426	6.5
293.13156	7.1
294.52283	2.9
303.04385	3.2
307.20374	3.6
311.06433	4.4
313.21371	3.8
321.04907	12.2
321.21906	4.2
324.13382	4.2
325.21548	10.4
331.20209	4.0
337.21454	3.9
339.23016	6.5
343.22507	5.4
349.21313	18.9
351.24875	4.1
355.22659	4.4
357.15652	51.6
357.24335	7.0
357.65820	19.3
367.22690	33.1
385.23718	28.4
387.25189	8.4
399.25385	5.3
403.24762	19.9
415.24722	3.6
417.26300	13.1
423.25305	14.8
429.26358	7.3
441.26364	65.1
453.26517	3.6
459.27380	100.0
477.28458	83.1
483.26526	4.4
501.28522	6.7
519.29370	4.5
585.30542	4.6
603.31445	11.7
621.32898	18.5
621.41516	5.2
639.33459	27.4
639.42487	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	639.28
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
67.05473	2.1
74.78862	1.3
79.05460	1.3
81.07024	3.2
93.07002	1.5
96.11850	1.1
134.38239	1.3
183.39281	1.1
249.39799	1.1
377.17538	3.3
378.18634	2.2
379.19302	1.7
389.17575	1.9
390.18283	2.2
391.19138	7.9
392.19748	4.4
393.20313	1.6
403.19479	1.8
404.19864	2.2
405.20718	12.2
406.21429	6.9
407.22296	14.4
417.20712	1.5
418.21729	1.4
419.22485	6.4
420.23087	5.9
421.23868	15.1
422.24405	2.2
433.23837	4.4
434.24643	2.2
435.18103	1.8
436.18533	2.0
445.19766	1.6
449.19510	2.0
450.20453	1.9
451.21173	13.0
452.21732	1.9
458.24036	1.4
460.22531	1.2
461.23325	2.8
463.21692	2.6
465.22757	11.0
466.22632	1.5
478.23752	2.4
479.24271	2.1
487.21173	2.1
493.25909	1.9
501.22867	1.6
503.24374	8.7
507.27484	6.8
508.28262	3.9
523.23431	2.1
535.26819	14.1
536.27502	1.7
537.25232	6.7
551.26050	4.4
552.27167	21.1
561.24640	2.7
579.25433	9.3
580.25952	4.3
595.28925	6.6
621.26941	22.5
622.27002	2.0
639.27942	100.0
640.28766	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.35695	0.3
52.78192	0.3
53.03926	0.4
53.20661	0.3
55.01859	0.8
55.05501	2.6
57.03426	0.8
65.59068	0.3
67.05493	5.3
69.07052	2.1
70.06593	1.9
74.50536	0.3
79.05485	4.8
81.03407	0.4
81.07044	6.4
83.04970	0.8
83.08602	1.3
85.06537	0.5
91.05469	4.5
93.07028	3.2
95.04971	2.5
95.08593	2.1
97.02824	0.4
97.06508	1.4
97.10154	0.7
105.07023	3.9
107.04945	1.4
107.08584	2.2
109.06493	2.5
109.10154	0.8
116.66546	0.4
117.07002	2.0
119.08552	3.6
121.10117	1.1
123.08043	0.6
125.09625	0.4
128.06212	0.6
128.33374	0.3
128.98871	0.3
129.06996	1.1
131.08569	2.2
133.06424	0.4
133.10127	2.3
135.08034	1.0
135.11720	0.5
141.07008	0.5
143.08572	0.6
145.10074	2.0
147.08023	0.7
147.11725	1.2
149.09633	1.1
149.13174	0.4
157.10120	0.6
159.08087	0.7
159.11665	1.1
161.09633	0.9
161.13246	0.5
163.11099	0.4
169.10115	0.4
171.11613	0.7
172.04007	0.4
173.13217	0.6
177.12788	0.4
179.14284	0.4
186.61215	0.3
187.14839	0.4
225.10251	0.5
239.11754	0.5
243.14673	0.3
249.10378	0.6
273.18469	1.9
275.20035	3.6
291.19458	3.8
314.12808	0.5
326.12988	0.5
327.35803	0.3
328.14548	0.6
342.15948	0.4
346.59268	0.4
347.22095	0.7
349.23737	0.5
356.13885	0.5
379.19269	0.6
391.15323	0.7
391.19705	0.5
393.16766	0.9
393.21072	0.8
403.15433	0.6
405.17050	1.0
406.17938	0.7
407.14029	0.4
407.18503	2.1
417.17166	0.6
419.14410	0.7
419.19437	0.7
420.15659	1.0
420.20090	0.6
421.20419	5.9
422.21103	1.6
431.18854	0.7
432.19806	0.7
433.15564	0.6
433.20349	1.5
434.16748	1.6
435.17252	2.5
435.23044	0.7
436.23065	1.8
445.16364	0.7
447.17093	0.6
447.21970	1.5
448.18585	2.5
449.19543	9.5
450.20465	2.8
451.21173	0.4
459.18176	1.3
460.19162	0.5
461.19562	1.2
462.20419	1.0
463.21625	5.7
464.21976	5.2
465.23126	0.8
473.19662	0.7
474.20935	0.5
475.21246	2.1
476.18253	0.5
477.18811	5.8
478.19659	2.6
479.20865	0.8
481.22345	0.4
491.20853	1.3
492.21664	0.9
493.22180	1.3
495.23904	0.4
505.22366	0.7
507.23892	1.2
508.25073	0.4
509.26331	0.4
519.23401	0.6
521.22217	0.9
523.22516	1.6
533.22589	1.2
535.23492	3.5
536.24097	1.1
537.21661	0.8
547.23297	0.6
549.21844	0.6
550.25983	0.8
551.26581	3.1
553.24921	0.4
561.24860	3.6
564.23755	4.8
565.24707	2.3
579.25885	7.6
581.24060	0.8
595.25513	2.3
596.26239	1.2
607.25299	0.9
610.27698	1.0
611.29022	0.5
621.26892	5.2
621.41504	1.1
624.25879	5.3
639.28052	100.0
639.41437	3.7
640.28430	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	637.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43142	0.7
55.05488	1.0
57.07058	0.8
57.24245	0.6
57.61835	0.7
64.69462	0.7
66.48061	0.7
67.05499	1.4
71.66895	0.7
79.05499	1.0
81.07061	1.6
91.05454	1.0
93.07072	0.8
105.07009	0.7
110.81052	0.9
163.11284	0.8
179.51268	0.7
184.92046	0.8
230.13425	0.8
275.20029	1.2
304.88770	0.7
307.22626	1.2
384.20187	0.8
387.15958	1.1
388.17087	1.2
401.17996	1.5
402.18610	0.9
403.19186	1.6
405.20990	1.2
415.19180	2.0
417.16296	1.5
417.20874	3.0
419.22159	3.1
428.16052	1.0
429.21271	1.3
430.17938	3.3
431.17987	4.3
432.19150	1.2
433.20206	0.8
443.18179	4.0
444.19595	3.2
445.19986	12.2
446.21271	4.1
447.21634	2.5
458.20782	8.4
459.21762	7.4
460.22980	5.5
461.19287	4.5
472.22626	0.8
475.21283	2.5
476.21817	0.9
477.22995	1.2
491.24683	1.0
503.21921	0.8
517.22571	0.9
518.23279	3.1
533.25519	2.2
535.23578	1.1
545.25623	1.4
546.26062	1.8
577.27911	2.2
605.27478	12.3
606.27496	0.9
637.30139	100.0
638.29980	4.1
644.18524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03354	0.6
53.03924	1.5
55.01853	1.4
55.05495	5.0
57.03437	0.6
57.46562	0.7
61.02915	0.8
65.03915	1.7
66.55540	0.7
67.05488	8.6
69.03394	2.3
69.07034	2.6
69.83141	4.3
70.06558	1.9
71.04959	1.5
79.05476	14.8
81.03390	3.8
81.07040	32.4
81.76256	0.7
83.04958	1.4
83.08613	1.0
84.04462	0.8
84.08098	1.0
85.02872	1.9
86.09678	0.6
91.04922	1.0
91.05466	16.1
93.07024	23.6
95.04935	5.0
95.08589	17.8
97.02856	2.0
97.06487	0.9
97.10162	0.7
103.05421	1.6
105.03308	0.8
105.07009	28.0
105.07722	1.4
107.04929	1.4
107.08571	16.0
109.06480	2.3
109.10144	7.3
111.04398	0.8
117.06983	3.0
119.04909	1.9
119.08556	35.0
121.02838	3.0
121.06466	2.8
121.10123	23.4
123.08033	2.5
127.03884	1.6
128.06200	1.1
129.06956	1.7
131.08562	3.5
133.06477	1.4
133.10100	15.0
135.08005	1.4
135.11653	6.8
137.05975	1.2
142.07753	2.5
143.08519	2.4
145.10068	3.4
147.04369	1.4
147.07932	1.3
147.11659	7.9
149.09584	1.9
149.13203	0.8
153.01761	0.9
153.05374	0.7
155.04898	1.5
157.10094	5.2
159.11664	3.5
161.05956	0.9
161.09573	2.6
161.13240	7.7
167.06985	2.3
169.09993	0.7
171.11649	0.8
173.09566	1.2
173.13190	0.9
175.03839	1.6
175.07602	0.9
175.11150	2.0
175.14810	4.7
177.05431	1.2
181.04984	0.9
183.04372	2.3
187.07578	0.7
189.16338	10.3
199.14798	2.6
201.05438	1.5
207.06522	2.6
209.07980	1.0
211.03845	7.1
217.15869	7.7
223.20973	0.7
225.05464	1.1
229.04929	4.6
239.03313	1.4
245.04268	1.0
253.04872	0.8
256.03577	1.0
257.04404	40.7
259.16882	0.9
260.03177	0.9
261.03870	6.3
267.02795	3.4
271.05927	2.8
273.03885	31.2
274.04340	0.9
284.07346	0.7
285.03882	100.0
286.04169	2.4
287.02039	0.7
287.05457	1.7
295.06183	1.1
297.03928	5.3
299.05374	8.6
301.03452	1.1
303.04919	16.6
311.05505	1.5
313.07013	3.9
323.05469	1.9
327.04916	12.3
339.04965	5.2
341.06509	1.1
351.04892	3.9
357.05957	2.1
369.06058	10.7
379.21252	2.8
387.06976	4.8
405.08087	3.6
437.79834	0.7
459.27362	0.7
473.19351	1.0
477.28482	0.9
501.19006	2.0
519.20111	3.4
639.23810	1.5
639.33588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03935	1.9
55.05505	2.0
67.05472	3.2
69.71677	8.3
79.05470	4.3
81.07040	2.6
86.93867	1.1
91.05486	1.4
93.07011	1.5
94.06541	1.4
95.04959	2.9
95.08537	1.2
96.54991	1.0
104.04965	3.5
106.06491	2.8
117.06973	1.1
119.08542	1.2
122.09638	1.2
134.06007	11.9
138.05498	1.9
144.04436	1.2
154.53745	1.3
172.03931	3.9
178.04974	13.8
179.90378	1.3
194.78006	1.1
196.09935	1.4
197.10623	1.3
204.06564	5.3
211.12413	1.5
211.89619	1.1
212.09319	1.3
215.32445	1.1
219.22301	1.1
221.10771	1.5
223.08621	3.2
225.10457	1.4
227.11739	1.8
234.07884	1.7
235.08644	2.8
236.09341	2.4
237.10246	3.5
239.11798	1.5
249.10167	5.6
251.08099	4.0
251.11755	1.4
253.13200	2.8
263.08203	2.0
264.08997	1.1
265.09714	2.3
267.11404	2.1
275.20190	1.3
276.20358	1.4
277.09677	3.9
279.11072	2.0
281.12921	3.1
293.09088	1.5
295.10724	1.4
297.12369	2.3
299.14008	2.0
302.12967	1.2
305.09189	2.0
309.12302	3.1
311.10501	2.0
311.14008	1.3
312.11322	1.5
312.14877	1.4
313.12436	1.6
314.12912	2.1
324.11380	1.6
325.12073	2.5
326.13031	3.9
327.13821	2.3
328.14285	2.3
330.16290	1.6
337.11777	12.1
338.12701	3.2
340.10800	2.5
340.14487	4.3
341.11469	1.1
341.15359	1.4
342.12244	1.9
343.13571	1.8
354.12424	3.0
356.13962	1.4
358.15390	2.4
368.13925	3.2
369.14578	1.5
370.15396	1.7
382.15753	2.7
384.13028	1.4
395.12695	1.4
396.13309	1.5
410.14877	3.1
414.18777	1.3
428.16251	2.0
438.14828	1.6
442.17661	3.5
444.19153	4.1
447.17731	2.1
456.15317	1.7
459.21982	1.5
461.19778	1.7
463.21078	1.7
470.17126	7.1
472.19034	1.5
475.21326	2.5
476.21500	1.9
488.18408	2.2
503.20520	4.3
504.21835	1.4
517.22559	2.2
530.18530	1.9
531.20215	2.7
535.23370	23.5
545.21417	3.1
549.24896	2.9
561.25250	1.3
563.23010	2.2
573.20898	2.7
577.24323	36.8
578.24744	4.3
595.25238	8.7
605.23865	66.7
606.23944	7.5
609.26038	1.5
619.25006	1.9
623.24829	2.8
637.26428	100.0
638.26837	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	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05502	2.1
60.86436	0.6
61.63162	0.7
67.05488	3.5
69.07061	1.5
69.38343	5.9
79.05472	2.5
81.07041	5.6
82.07368	0.8
83.08601	2.8
85.06527	0.5
85.10206	1.0
91.05465	2.5
93.07040	2.7
94.06540	1.3
95.04955	1.4
95.08582	1.8
97.10152	0.7
105.07021	2.7
107.04932	0.7
107.08589	1.2
108.08081	1.1
109.06509	1.4
109.10146	1.3
111.08050	1.7
117.07005	1.1
118.06514	0.9
119.08567	2.4
120.08914	0.8
121.10149	1.1
123.08093	1.1
131.08542	1.1
133.10112	1.4
135.11678	1.6
144.08052	1.1
145.10158	0.8
147.11673	1.7
149.09642	1.3
159.11725	1.2
161.13309	0.8
162.05487	2.4
163.11217	1.7
165.12712	1.6
167.07285	0.8
168.06796	1.0
168.08057	1.6
175.11052	0.8
176.03355	0.6
180.06705	0.7
180.08110	1.5
181.07596	2.2
181.08980	0.9
182.08342	1.5
182.09755	0.8
183.09097	1.2
184.09879	0.7
192.06754	0.9
193.07520	3.5
194.08305	2.9
195.09119	8.2
196.08194	0.8
196.09802	5.3
196.11470	1.0
197.10695	5.0
198.11375	0.9
198.13020	0.7
206.08350	0.9
207.09155	5.6
208.07635	2.1
208.09950	6.0
209.07108	2.0
209.10632	9.6
210.07774	1.1
210.11420	9.2
210.13066	0.7
211.08694	1.8
211.12172	4.7
212.13016	2.4
219.09073	1.3
220.09819	0.8
221.07162	4.6
221.10701	1.3
222.05949	0.9
222.07745	4.0
222.11406	1.0
223.08653	13.2
223.12177	8.3
224.09383	21.1
224.12766	4.2
225.10243	11.0
225.13786	10.7
225.15843	1.1
226.14511	3.5
227.08363	0.7
227.15387	1.2
235.08618	8.4
236.05576	1.9
236.09311	5.4
237.06529	1.7
237.10139	7.3
237.14651	0.7
238.07278	1.0
238.10957	5.7
239.08122	2.4
239.11737	1.9
239.15578	0.6
241.09795	1.8
247.08661	1.2
249.06487	1.1
249.10081	0.8
249.22215	0.7
250.07317	1.7
250.10999	1.5
251.08150	6.4
251.11775	8.6
252.08910	2.6
252.12474	1.3
253.09581	1.3
253.13327	31.2
254.13885	1.1
255.11197	5.5
256.12054	7.2
257.18835	1.1
263.08118	5.8
264.08951	5.7
265.06140	1.9
265.09610	4.5
265.13364	0.9
266.06931	1.9
266.10455	3.3
267.07587	1.4
268.08463	1.1
269.09262	2.7
269.12659	2.9
270.13608	2.4
271.14319	3.4
272.07965	1.7
275.08099	1.0
275.20013	8.7
276.20428	3.1
277.06070	1.8
277.21585	5.0
278.06866	1.0
278.21994	2.5
279.07718	2.0
279.11313	8.0
281.09198	5.7
281.12875	3.2
283.10809	2.2
291.07581	9.1
293.09354	2.1
293.21039	0.9
295.07199	3.3
295.10629	0.8
295.22546	1.2
297.08929	1.2
297.12213	7.5
299.13962	1.1
300.11111	2.3
307.10580	1.5
307.22534	4.1
308.08041	1.0
308.23062	1.7
309.08759	3.5
309.24133	1.7
310.09454	5.5
311.06866	0.8
311.10312	2.2
311.13870	1.2
319.07233	2.8
323.10300	1.8
325.11746	6.6
327.09760	1.8
337.08127	1.4
343.13049	1.0
351.05353	1.5
351.09702	30.6
352.09991	1.1
356.14178	0.8
369.10754	44.2
370.11096	1.8
383.12723	1.0
387.13440	0.7
397.10657	0.9
403.15250	0.7
419.18704	0.7
429.17261	0.8
431.14111	0.8
438.14667	0.8
443.17819	0.7
458.17996	0.8
459.17810	0.8
470.17206	2.2
475.21317	1.1
482.16733	0.7
489.22534	1.7
503.20746	2.5
505.18738	0.7
517.22308	9.8
518.21375	0.8
534.21979	0.7
545.21802	3.8
549.25037	1.1
561.24591	0.8
573.21405	4.7
577.24359	46.2
578.24445	1.6
605.23859	100.0
606.24261	5.5
623.25189	1.7
637.26410	19.0
638.27429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86342	0.3
70.33167	0.8
70.33572	1.0
79.05447	0.5
81.07011	0.4
91.05479	0.7
95.08580	0.4
99.17356	0.3
105.06998	0.8
108.93967	0.3
117.06960	0.3
119.08543	0.3
128.66974	0.3
130.66039	0.3
130.77629	0.3
137.91397	0.4
183.09106	0.4
209.10684	0.5
228.02621	0.4
250.65511	0.4
315.61832	0.3
373.14346	0.4
374.15829	0.5
375.16278	0.7
387.16125	0.8
388.16913	0.8
389.17673	2.1
390.18585	0.7
391.19485	0.5
401.17783	1.6
402.18399	1.2
403.19357	2.6
404.19925	1.0
405.20761	1.3
415.14941	0.7
415.19757	0.8
417.16885	2.0
417.20859	2.4
418.21826	0.6
419.22156	3.4
427.15213	0.4
429.16989	1.4
430.17502	0.8
431.18106	3.5
432.19446	1.0
433.20593	0.5
435.18243	0.6
442.17920	0.4
444.19495	0.6
445.20096	5.2
446.21149	2.8
447.22681	2.8
449.19934	0.6
457.15948	0.5
459.21964	1.0
461.15070	1.8
462.16519	0.7
463.21527	3.0
464.21930	0.6
471.17877	0.4
472.18405	0.4
473.19589	0.4
475.16968	2.9
476.17883	1.9
477.18686	1.6
489.18198	1.8
490.19855	9.1
491.20584	12.4
492.21439	0.4
501.22650	0.4
503.20804	3.5
504.21231	0.8
505.25861	1.1
517.22278	2.3
518.22705	0.8
519.20850	0.4
522.22473	0.6
533.25537	6.5
535.20007	0.8
545.21710	0.9
549.22644	1.7
562.22528	0.7
577.24420	25.4
578.24719	1.2
593.27112	1.0
605.23840	1.0
637.26459	100.0
638.26855	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	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75698	0.4
67.05444	0.6
69.07042	0.3
69.53726	0.3
69.63634	0.7
69.63979	3.3
79.05449	0.6
81.06974	0.4
83.08525	0.4
91.05466	0.4
133.10100	0.4
142.44127	0.3
335.36371	0.4
360.14615	0.4
363.16470	0.5
373.15579	0.5
374.16434	0.8
375.16779	0.8
376.17554	0.5
377.17618	1.0
378.18124	0.9
385.14240	0.6
386.15439	1.0
387.15985	1.2
388.17505	0.7
389.18381	0.7
390.18576	0.9
391.19077	1.4
392.19849	1.0
393.20599	2.2
398.15961	0.8
399.16034	2.6
400.16772	3.0
401.17664	3.2
402.18646	0.9
403.19092	0.7
405.20737	0.8
407.22235	3.3
411.16254	0.5
411.61108	0.4
412.17270	0.8
413.17834	3.0
414.18588	4.9
415.19281	9.3
416.19977	1.6
417.21133	0.8
418.18567	0.5
421.20157	2.8
425.17728	1.1
426.18411	0.4
427.20023	2.3
428.20465	3.5
429.21277	7.7
430.22055	2.5
431.18515	0.6
433.20691	0.6
434.20984	0.7
435.21704	2.1
436.22464	0.8
437.17368	0.4
439.19403	0.8
441.17050	1.6
442.17813	1.6
443.17773	2.1
443.22269	5.3
444.18692	4.7
445.19962	2.8
446.20844	0.7
447.17392	0.6
447.22525	0.6
455.18588	1.1
456.19601	2.2
457.20486	6.0
458.21216	4.2
459.17709	0.6
459.22763	0.6
461.19406	0.8
463.20990	0.5
469.16556	0.6
470.16882	0.7
471.22165	7.9
472.23187	5.5
473.19376	4.5
474.20425	1.6
475.17920	0.8
483.18195	0.4
484.19095	1.4
485.19592	3.1
486.20422	6.3
487.21161	3.2
488.21915	1.3
489.18341	0.4
489.22940	1.3
490.19620	3.2
491.20578	0.9
498.20682	0.5
499.21268	8.9
500.22678	3.5
501.22681	0.7
502.19711	0.7
503.25134	3.5
504.21686	1.1
513.19342	1.0
514.19714	1.3
516.21564	1.5
517.22229	4.2
519.23315	0.5
527.20673	2.7
528.21387	1.3
530.23706	0.5
531.23969	12.0
532.24036	0.7
543.23535	1.9
544.20612	0.5
545.21729	1.0
549.24817	1.2
559.23328	100.0
560.23621	7.0
573.21246	0.5
577.24597	1.0
587.22809	16.9
588.23230	1.0
591.25903	0.5
605.23596	1.1
609.06915	0.5
619.25403	95.7
620.25696	7.6
637.26434	14.4
637.41980	0.5
638.26740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.2
67.05489	5.3
69.07056	1.9
72.89860	1.0
79.05491	1.8
81.07047	3.6
91.05472	2.5
93.07041	1.9
93.08298	1.0
94.23825	1.0
95.04971	1.6
95.08595	2.6
98.20692	2.9
105.07034	1.6
105.34340	1.0
107.04945	1.3
107.08579	1.8
131.08543	1.6
133.10175	1.3
157.10071	1.1
226.24226	1.2
273.13800	1.4
360.14853	1.6
375.16901	1.3
377.17685	3.0
386.15561	1.3
388.17688	1.4
389.18124	1.6
391.19293	4.9
392.19781	3.9
393.20734	3.3
398.16074	1.2
399.16339	1.4
400.16534	2.9
401.17499	3.2
405.20959	1.6
407.22305	6.3
413.17606	3.4
414.18219	3.8
415.19156	7.1
416.19934	1.8
417.21112	1.6
421.20218	5.4
427.19458	1.6
428.20197	2.5
429.21274	7.2
430.21533	2.0
435.21823	4.9
441.16867	1.9
442.17813	2.5
443.22382	4.3
444.19427	3.7
444.24112	1.7
445.20239	4.3
446.21075	1.4
447.17755	3.0
448.18829	1.4
457.20737	5.6
458.20862	3.3
459.17715	2.1
461.19775	3.2
469.16684	1.3
471.22345	6.4
472.22308	4.2
473.19421	5.3
474.20316	2.4
475.17764	1.5
482.20932	1.2
485.19675	4.0
486.20355	4.6
487.21017	4.8
488.22058	2.0
489.18625	1.9
489.23352	2.8
490.20114	4.5
491.20569	2.4
499.21152	9.7
500.21570	4.2
501.22971	1.3
502.20044	1.8
503.24741	3.2
513.19122	6.8
514.19653	2.1
516.21521	2.0
517.22241	16.7
527.20587	3.3
528.21881	1.6
529.22467	2.2
531.24341	13.8
532.23425	1.3
543.23566	1.5
549.25049	7.5
559.23315	76.9
560.23651	6.0
577.24451	3.7
587.22711	15.5
588.23279	2.0
591.26007	5.7
605.23761	7.5
619.25409	78.7
620.25647	8.0
637.26459	100.0
637.41541	3.8
638.26770	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	636.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01859	4.8
55.05502	10.2
57.03418	1.6
57.07066	3.2
60.66457	1.1
61.09580	1.2
65.03937	1.4
67.05494	14.5
69.07049	7.1
71.04998	1.2
75.02573	1.2
79.05482	12.1
81.07044	30.7
83.04943	1.7
83.08620	6.4
85.06520	1.8
85.10162	2.2
91.05466	13.2
93.07035	10.9
95.04942	5.0
95.08590	10.7
97.06508	3.9
105.07014	12.2
107.04936	3.1
107.08588	7.9
109.06512	6.8
109.10133	4.8
111.08054	9.6
113.09635	3.3
117.06999	2.8
119.08560	10.8
121.10139	6.4
123.07986	1.6
123.11690	2.5
125.09684	2.0
129.07002	1.5
131.08546	3.5
133.10100	6.6
135.08017	1.7
135.11714	2.8
137.09592	2.0
145.10097	4.9
147.11694	5.6
149.09590	4.5
149.13257	3.4
151.11134	2.1
157.10091	1.7
159.11674	2.3
161.13234	2.3
162.05553	2.6
163.11176	3.0
165.12721	6.5
171.11682	1.6
173.13184	2.2
179.14214	1.9
180.06601	1.4
181.07526	3.1
182.08302	2.1
193.12076	1.3
194.08405	1.6
195.09193	4.9
196.09964	3.4
197.10692	3.1
198.12476	1.1
199.62518	1.3
207.09166	3.9
208.09929	3.8
209.10706	6.6
210.11522	6.6
211.08728	1.8
211.12314	2.2
221.07021	2.2
221.10606	1.4
222.07799	2.9
223.08621	6.7
223.12184	7.3
224.09409	15.0
224.13020	3.3
225.10223	4.7
225.13818	6.1
226.14622	3.4
229.35167	1.6
230.55916	1.2
233.10619	1.4
233.60580	1.7
235.08646	5.9
236.09460	4.7
237.10179	3.6
238.11029	2.5
239.08047	2.5
241.09827	2.2
251.08131	3.8
251.11827	4.6
252.08975	1.3
253.13297	18.0
255.11266	1.9
256.12048	2.9
259.20462	2.1
263.08188	4.7
264.08899	4.2
265.09903	1.9
266.10724	1.3
269.09229	1.5
275.20020	21.1
277.05951	1.6
277.21600	33.5
278.22046	1.6
279.07852	1.9
279.11261	4.2
281.09143	3.8
281.12625	1.9
291.07614	5.9
293.09238	2.2
293.21008	6.4
295.22592	6.0
297.09256	1.3
297.12381	4.5
300.11057	1.9
307.22623	2.9
309.24200	13.3
310.09360	4.0
319.06967	1.2
325.11716	4.8
351.09686	15.3
369.10776	25.5
369.15286	1.0
378.75552	1.5
470.17194	2.9
489.22977	1.8
517.22247	6.0
545.21606	4.1
573.21454	3.8
577.24420	41.8
577.33569	2.1
605.23853	100.0
623.24133	2.0
637.26666	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
53.05351	1.9
55.01875	5.2
55.02818	2.0
55.05497	18.6
57.07059	2.8
58.75850	1.9
61.28356	1.9
67.05498	36.1
69.07057	22.5
71.04996	5.0
77.22926	2.0
79.05491	30.5
81.03422	8.3
81.07045	64.3
83.04961	3.3
83.08617	13.5
88.63618	2.2
91.05462	34.0
93.07024	32.2
95.04953	13.6
95.08591	26.2
97.06538	7.6
97.10152	5.2
105.07014	35.7
107.04940	9.3
107.08580	19.6
109.06498	17.6
109.10145	13.8
111.08085	5.1
115.05347	2.1
117.06987	16.2
119.08573	28.7
119.45918	1.8
121.06474	7.7
121.10142	14.4
123.08055	4.9
123.11708	4.6
125.09658	2.9
129.06982	5.6
130.79193	2.0
131.08574	16.3
133.10124	21.9
135.08020	5.6
135.11652	10.9
137.09605	6.1
143.08533	6.0
145.10089	14.5
147.08029	3.5
147.11667	18.9
149.09583	15.1
149.13237	8.3
151.11162	4.9
155.08542	3.4
157.10168	5.2
159.11647	11.1
161.09679	2.4
161.13297	5.6
163.11163	13.9
163.14891	2.9
165.12769	6.5
171.11661	4.3
173.13297	7.6
175.11188	5.6
175.14761	3.5
185.13214	3.5
191.14333	2.1
193.12206	2.7
197.13232	3.9
229.19469	3.3
233.15541	2.9
239.18005	8.0
247.20561	6.1
257.18878	12.6
270.23065	2.2
275.20032	100.0
293.20969	4.1
307.22659	29.3
309.14212	2.2
426.96146	2.2
429.37033	2.5
549.39160	2.2
581.41510	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	634.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
53.86716	1.1
55.01848	4.7
55.05501	12.4
57.07057	1.7
65.03920	2.5
67.05499	27.0
69.03410	2.0
69.05971	1.2
69.07055	10.7
70.01162	6.3
71.04976	3.0
79.05483	25.8
81.03413	2.8
81.07047	72.2
83.04957	3.9
83.08615	8.4
85.06506	1.9
91.05470	24.0
93.07035	22.8
95.04949	8.7
95.08601	22.4
95.65997	1.2
97.06508	5.3
97.10161	1.6
98.20782	2.2
99.08076	2.3
105.07010	26.0
107.04947	8.5
107.08580	11.1
109.06499	29.6
109.10140	7.3
111.08044	3.1
117.07009	5.7
119.08553	20.5
121.06469	4.8
121.10124	13.4
123.08067	6.1
123.11680	4.4
125.09566	1.6
129.06992	3.1
131.08537	10.0
133.10095	17.6
135.08026	5.8
135.11658	4.0
137.09550	3.2
137.13286	1.1
143.08554	2.5
145.10130	11.1
147.11682	17.7
149.09590	8.8
149.13240	6.8
151.11130	4.5
157.10083	3.9
159.11658	7.8
161.09625	1.7
161.13225	3.0
163.11166	10.0
163.14781	2.7
165.12746	5.7
169.10086	1.9
171.11665	3.5
173.09654	1.3
173.13229	4.1
175.11157	4.7
175.14767	1.6
177.12726	2.0
180.13708	1.4
183.11684	2.3
191.14330	1.6
193.12236	2.4
205.15948	1.9
211.13191	1.3
217.15932	1.4
219.17361	1.5
229.19518	2.7
239.17940	4.6
247.20616	5.4
249.00284	1.5
257.18967	8.1
274.06024	1.3
275.20026	100.0
276.20114	1.6
293.21039	15.7
307.22641	38.5
335.03137	1.2
340.83340	1.2
462.33060	1.4
599.42578	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	634.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01849	6.1
55.05503	24.2
62.30799	1.7
67.05494	25.6
68.84660	1.8
69.07056	14.3
70.83335	4.7
79.05479	26.9
81.03393	6.1
81.06605	2.9
81.07043	37.1
83.04980	5.1
83.08606	27.0
89.73999	1.9
91.05470	27.4
93.07028	25.7
95.04955	31.0
95.08605	22.1
97.06489	5.4
97.10135	5.5
98.78442	2.3
105.07012	24.3
107.04950	13.1
107.08578	19.2
109.06507	6.7
109.10138	7.5
111.08063	8.4
113.79757	2.1
117.07017	12.5
119.08562	21.9
121.06480	4.3
121.10138	17.6
123.08052	5.7
123.11679	3.3
125.09576	7.1
129.06967	2.7
131.08562	13.1
133.10107	20.9
135.08037	7.9
135.11731	8.9
137.09578	5.1
141.06989	2.8
145.06404	2.8
145.10106	21.5
147.08020	4.0
147.11673	12.8
149.09587	19.1
149.13217	3.5
151.11209	2.4
153.08994	2.3
155.08636	2.4
155.10606	1.9
157.10109	3.2
159.11690	12.1
159.34471	1.8
161.09567	3.4
161.13243	2.9
163.11172	24.0
165.12715	6.9
169.10117	4.0
171.11708	4.4
173.09572	4.5
173.13264	5.7
175.11156	1.7
177.12695	4.0
183.11644	2.4
187.11166	4.8
189.65799	1.6
197.13242	3.8
201.12662	2.2
203.12784	6.1
204.48599	1.7
205.12192	2.9
211.14909	1.9
229.19489	4.4
237.14809	14.1
239.17999	11.4
247.20647	3.5
257.18958	18.1
275.20016	100.0
275.59900	2.5
289.21655	5.6
293.21124	8.2
304.44302	1.9
307.22617	67.9
355.96152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.8
55.05500	10.2
56.05018	1.7
56.41413	0.8
58.99569	9.9
63.33587	0.9
67.05495	8.9
69.03414	2.4
69.07044	4.3
69.83080	1.9
69.83497	4.7
70.06570	3.5
71.08599	7.8
72.28391	0.8
74.00631	3.5
74.09713	2.0
76.01791	1.6
76.02214	30.4
76.03993	2.5
79.05475	8.1
80.05003	2.4
81.03384	2.4
81.07043	11.2
83.04974	5.5
83.06081	4.1
83.08604	6.2
83.21321	0.9
84.04485	12.3
84.08112	1.4
85.02869	1.5
86.00635	1.8
86.06056	1.7
86.09689	1.5
86.99026	3.2
88.02197	1.6
91.05465	6.1
93.07012	7.6
94.06580	1.4
95.04935	3.7
95.08583	5.9
97.01109	2.7
97.02859	2.0
97.06495	2.6
97.10129	6.0
99.02644	0.9
99.05555	2.2
99.08056	3.7
105.07005	4.8
107.04919	3.7
107.08595	5.9
109.06469	1.3
109.07581	1.0
109.10136	4.6
111.02629	2.6
111.04446	1.3
111.08013	2.7
112.02161	3.8
113.00558	2.5
113.09690	1.1
114.03725	1.7
116.01662	14.0
117.07001	1.7
119.08523	4.7
120.08072	2.1
121.06453	1.5
121.10086	2.9
122.92479	0.9
123.02702	1.0
123.07998	1.8
124.02148	1.8
125.04249	1.2
125.09589	3.9
126.03723	7.0
127.02099	1.9
129.06599	4.1
130.04994	7.6
130.48039	0.9
131.08493	2.2
133.10101	4.2
135.08041	1.3
135.11682	4.5
136.03925	1.4
137.04175	1.3
137.09578	1.8
138.03671	1.9
139.02081	3.7
139.03169	1.6
140.01575	1.7
141.04744	1.4
142.03177	4.1
143.08472	1.2
144.01137	5.3
145.06012	1.8
145.10072	3.4
147.07903	1.5
149.09583	2.0
151.11147	2.1
153.12724	4.3
155.08148	1.6
157.10126	1.3
161.09587	2.8
162.02187	14.1
162.03593	1.6
163.11108	2.4
165.07339	1.2
165.09035	1.3
170.02686	1.6
170.11710	1.3
171.08260	1.5
175.11133	1.0
177.03287	3.4
177.12677	1.0
179.04822	13.9
179.08823	1.2
179.10559	1.1
181.08534	1.2
181.12210	1.8
185.03722	3.3
187.05351	3.1
189.11214	2.4
193.10573	1.0
193.12083	4.5
194.09911	6.9
195.08302	2.4
196.11476	8.3
209.11575	1.0
215.04799	1.1
222.09367	2.2
224.10997	3.0
227.12802	4.5
228.10291	1.1
229.06401	1.1
231.04260	7.0
233.05843	6.5
236.10977	3.5
238.12563	1.4
240.10446	2.4
241.11301	1.5
242.12029	2.9
245.05928	1.3
248.11107	1.1
254.12074	5.0
266.11987	2.3
277.16116	1.4
284.13068	1.8
291.19519	7.3
299.14008	4.7
305.15793	1.6
308.09119	7.2
309.20511	5.5
311.14166	7.2
323.16760	11.2
343.12997	1.2
345.14691	1.2
348.19913	10.0
349.18069	5.1
357.14783	12.3
366.16330	1.4
366.20895	22.9
367.19290	9.3
369.14606	2.7
371.79971	0.9
376.19296	1.3
384.22055	10.1
387.16074	1.1
394.20374	4.2
402.23068	1.4
451.22552	5.6
452.21106	1.1
469.23666	27.9
485.50864	1.0
487.24646	100.0
488.24902	3.6
542.26196	1.2
552.18066	1.3
559.26727	9.6
560.28064	1.2
581.56140	1.0
598.27771	4.1
616.29730	2.3
634.29834	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	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01847	3.8
55.05506	21.0
57.03432	5.8
59.04982	3.2
65.03919	3.5
67.05495	100.0
69.03088	3.2
69.03421	34.2
69.07063	17.4
69.34690	4.0
69.35095	27.9
71.04964	7.2
78.30597	2.7
79.05482	34.5
81.03401	26.2
81.06608	3.5
81.07050	50.5
83.04953	8.1
83.08591	10.2
85.02898	3.9
85.06483	2.9
91.05461	28.3
93.07032	36.9
95.04949	13.2
95.08591	30.9
97.02863	5.9
97.06547	2.8
97.10143	7.0
98.20734	5.8
99.04440	3.1
105.07019	29.1
105.07652	4.3
107.08572	20.9
109.02831	5.1
109.06506	6.2
109.10146	58.1
111.04389	6.8
111.08070	3.5
117.07011	15.3
119.08560	22.5
121.06482	4.9
121.10120	12.4
123.08031	5.5
123.11743	5.6
125.09605	7.2
128.06178	3.1
129.06972	11.3
131.08551	17.7
133.06485	3.6
133.10092	13.3
135.08034	6.0
135.11639	9.4
137.09586	6.8
141.06952	3.3
143.08556	8.4
145.10118	15.4
147.08031	4.1
147.11639	10.3
149.09570	3.2
149.13206	6.0
149.61781	2.5
155.08472	5.3
155.10602	3.7
157.10080	7.8
159.08043	2.6
159.11687	9.3
161.09607	3.0
169.10109	5.9
171.07979	3.2
171.11661	8.8
173.11705	17.5
173.13139	5.6
175.11148	3.2
181.10248	2.7
183.11653	4.3
185.13200	8.2
187.14771	3.5
189.11192	6.6
193.09962	2.8
195.11607	4.0
197.13101	3.3
207.11694	2.7
211.11203	2.7
213.12791	3.2
227.12680	3.3
229.14348	21.2
257.59839	2.5
259.20520	3.0
277.21732	4.7
299.14835	4.8
301.21567	6.8
319.22723	3.5
351.23273	6.2
369.24277	8.7
387.25211	5.0
435.37677	2.6
443.27438	3.7
461.28815	8.3
597.37640	3.1
615.39240	6.9
633.39655	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01866	3.7
55.05500	7.1
57.03416	1.4
58.99574	8.9
61.02915	0.7
67.05486	8.6
69.07056	10.0
70.02940	1.2
70.06575	2.5
70.54086	2.6
71.04977	0.8
72.08125	0.9
74.00645	2.3
76.01789	1.5
76.02213	28.5
76.03989	1.7
79.05479	10.2
80.04998	2.5
81.03399	2.5
81.07043	17.6
83.04965	2.7
83.06081	3.2
83.08601	4.3
84.04487	11.6
84.08141	1.1
85.01132	0.8
85.02876	0.8
85.04002	1.5
85.06526	1.1
85.50141	0.7
86.00630	1.3
86.99033	2.5
88.02197	1.5
91.05479	5.6
93.07034	7.6
94.06541	1.1
95.04929	2.9
95.08591	5.5
96.04402	0.9
97.01100	2.2
97.02851	1.7
97.06495	2.8
97.10160	5.1
98.21379	0.7
99.05568	1.4
100.02203	1.1
102.05521	1.0
105.07007	5.8
107.04939	2.0
107.08578	6.6
109.02863	1.0
109.06473	2.1
109.07617	1.2
109.10094	3.4
111.02640	2.4
111.04427	2.7
111.08074	2.1
112.02165	3.5
113.00559	3.5
113.04259	0.8
114.03716	2.4
116.01659	16.0
116.02441	1.1
117.06998	2.2
119.08565	4.7
121.06484	1.9
121.10135	2.1
123.01363	1.0
123.02631	1.3
123.04420	1.4
123.08033	2.8
124.02166	4.9
125.09605	4.9
126.03735	3.6
127.02129	1.0
128.06195	1.1
129.06517	3.5
130.04971	6.5
131.08524	2.6
133.06493	1.0
133.10100	2.9
135.02650	1.2
135.08006	3.3
135.11652	2.1
137.05969	1.2
137.09639	1.3
138.03680	1.7
139.02158	1.0
139.03197	0.9
141.04794	1.1
142.03210	5.1
143.08542	1.5
144.01102	5.9
145.06120	2.4
145.10097	2.7
147.07985	1.7
147.11667	1.3
149.04097	0.8
149.09598	1.4
150.03662	0.7
151.05751	1.4
151.11205	1.2
152.01605	0.8
153.06569	0.9
153.09076	1.0
153.12700	2.8
154.06844	0.9
155.08159	1.1
157.10100	1.0
159.08043	1.7
161.09604	2.4
162.02179	12.7
163.02098	0.9
163.07500	1.7
163.11136	2.1
165.07317	0.9
165.09126	0.9
170.02701	2.1
173.09531	1.4
175.05806	1.4
177.03282	2.8
177.07297	1.7
179.04852	14.8
179.10609	0.9
181.06197	1.3
181.12192	1.1
185.03770	4.7
187.05359	2.4
189.07420	0.9
189.11140	1.7
191.10562	0.9
192.08391	3.0
193.06787	2.9
193.12209	1.9
194.09984	3.9
194.11658	0.7
195.08371	1.0
199.07112	0.9
205.06790	1.0
207.08279	1.1
212.10931	1.0
215.04994	1.5
222.09468	1.9
224.11060	2.6
227.12775	2.4
231.04333	7.3
233.05861	8.4
236.10988	1.8
238.12570	2.1
240.10542	3.9
241.11281	2.0
242.12070	2.5
243.17494	1.0
245.06004	1.2
250.12366	1.1
254.12080	3.0
257.04538	1.4
261.18463	1.2
266.12109	3.0
271.17102	1.1
278.12094	3.4
282.11740	0.8
284.13135	1.7
285.03854	2.5
286.04254	0.9
289.17953	6.6
291.06421	1.2
293.15454	0.9
297.12677	1.4
303.04755	1.4
303.14120	2.2
307.19037	3.4
308.08969	5.8
311.14157	4.5
320.17319	0.8
321.15149	9.8
323.13962	1.2
328.17151	0.8
329.15912	1.1
336.19910	0.9
343.12970	1.0
345.14676	1.5
346.18286	9.1
347.16675	3.7
357.14746	10.0
364.19342	25.2
365.17722	6.8
369.14749	3.1
382.20358	8.1
387.15765	1.6
392.18787	1.6
400.21350	1.1
442.17316	0.7
449.20956	3.4
467.22031	26.0
475.22513	0.8
485.23102	100.0
486.23502	2.0
521.23199	1.8
533.23438	0.9
557.25024	10.1
596.26074	2.8
614.27319	1.7
632.28607	5.5
632.37921	1.0
633.29865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.0
55.01864	23.7
55.05501	74.4
57.03425	6.5
57.07064	5.9
59.04962	5.0
65.03913	6.6
67.05145	5.8
67.05497	100.0
69.03411	9.9
69.07059	49.5
70.91628	4.4
71.04990	7.3
71.70253	7.3
73.06555	4.7
79.05484	69.7
79.54022	4.0
81.03387	9.8
81.07041	97.8
83.04949	11.8
83.08611	38.0
85.06511	7.6
89.00806	4.2
91.05467	64.0
93.07031	72.0
95.04963	26.5
95.08588	59.1
97.06536	35.6
97.10159	41.3
105.06351	5.0
105.07023	69.3
107.04934	8.8
107.08584	54.9
109.06481	14.5
109.10124	46.7
111.08064	9.1
115.05400	8.2
117.07001	40.6
119.08551	48.1
121.06465	14.1
121.10126	33.1
123.08073	6.8
123.11678	13.7
125.09627	43.4
129.06998	15.8
131.08569	35.2
133.06465	5.9
133.10126	38.8
135.08051	19.3
135.11687	18.1
137.09608	8.5
139.07509	5.0
139.11154	9.0
143.08548	25.0
145.06526	6.5
145.10101	41.4
147.08031	10.7
147.11667	29.9
149.09578	13.5
149.13316	4.5
151.11159	7.9
153.09068	6.2
154.64023	5.0
155.08528	8.9
157.10143	17.9
159.11720	22.9
161.09656	6.4
161.13251	5.5
163.11218	6.5
163.14825	5.1
165.12691	5.0
169.10120	15.9
170.11061	5.1
171.08054	4.5
171.11723	22.9
173.11708	13.1
173.13257	15.3
175.11134	10.7
177.12715	8.9
183.11655	11.0
185.13231	10.1
187.11227	8.0
187.14784	8.4
189.12685	5.9
193.12230	7.6
195.11635	8.2
197.13237	11.2
199.11185	5.3
199.14799	11.0
201.12700	6.1
203.12802	13.3
209.13223	6.6
213.12766	7.1
213.16418	8.1
233.13022	4.8
233.15254	6.7
239.17987	5.1
275.19989	28.0
289.21585	20.3
291.19443	5.0
291.23099	5.9
303.23172	6.4
305.21097	18.1
307.22733	10.4
315.23148	5.0
333.24475	6.0
359.94699	5.2
395.29752	8.9
413.30331	16.4
469.32999	8.8
501.35776	12.2
581.41711	7.5
595.43365	7.2
613.43970	15.4
627.04504	4.9
631.34955	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	631.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39511	3.4
53.03937	6.8
55.01860	25.6
55.05504	71.2
57.03423	8.2
57.07080	4.9
65.03902	3.2
67.05497	100.0
69.03416	10.2
69.07063	55.1
79.05482	67.2
81.03419	11.6
81.06607	6.7
81.07044	86.5
83.04948	10.4
83.08609	37.3
85.02876	2.9
85.06532	7.2
91.05470	54.0
93.07029	73.8
95.04945	27.3
95.08585	71.1
97.06512	26.9
97.10155	40.5
98.20631	4.4
99.08084	6.5
103.05479	3.7
105.07017	64.7
107.04932	10.6
107.05627	3.4
107.08582	64.5
109.06492	14.3
109.10130	46.9
111.08060	12.1
115.05515	3.0
117.07002	31.5
119.08568	49.8
120.07419	3.1
121.06496	10.9
121.10133	28.2
123.08040	11.6
123.11706	4.6
125.09616	46.0
126.32731	3.3
127.72134	3.2
128.06184	5.3
129.06969	24.2
131.08557	40.8
133.06468	9.1
133.10117	34.6
135.08038	18.3
135.11671	16.2
137.09634	9.4
139.11148	7.9
141.07001	7.3
142.07762	7.1
143.08530	22.6
145.06454	5.3
145.10097	40.0
147.08061	8.0
147.11642	22.6
149.09616	11.2
149.13246	7.2
151.11137	7.0
153.09111	10.9
155.08525	11.3
155.10719	4.5
157.06560	3.5
157.10144	22.8
159.08072	6.2
159.11674	26.3
161.09622	12.2
161.13249	11.5
163.11172	8.7
165.09044	3.8
167.08549	5.0
169.10094	16.7
171.08058	5.8
171.11665	16.9
173.09602	6.1
173.11737	14.4
173.13261	21.6
175.11186	9.2
175.14806	6.9
177.12723	4.8
179.10715	3.7
181.10143	5.9
183.11713	15.5
185.09657	4.1
185.13228	12.2
187.11139	8.4
187.13290	9.4
187.14737	6.6
189.12749	4.0
193.10310	3.2
193.12187	7.4
195.11687	8.4
197.13237	12.9
199.14833	9.9
203.12747	19.3
209.13138	5.4
211.14836	7.4
213.12915	4.0
219.01207	3.4
225.14691	6.7
227.17757	4.0
257.18988	9.3
273.18515	5.2
275.20065	22.7
289.21606	19.9
291.19473	10.2
291.22922	7.3
301.21576	7.3
303.23166	8.0
305.21140	21.7
307.22702	5.9
315.23190	7.4
317.24756	4.7
327.23154	6.2
329.24841	4.2
333.24393	15.5
361.24100	3.9
381.28052	7.0
395.29346	7.9
397.30621	7.6
411.32477	3.4
413.30484	19.4
415.31979	5.1
419.11478	3.7
427.32050	3.6
429.33606	4.7
469.32916	5.4
483.34573	10.0
485.36115	5.2
501.35571	14.9
515.36890	5.2
563.41028	7.0
581.41968	12.1
595.43530	13.4
613.44775	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	631.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01842	0.6
55.05494	1.0
57.03408	0.5
57.10462	0.4
63.51763	0.5
65.03919	1.2
66.29687	0.4
67.05477	1.0
69.03406	2.5
69.66291	3.4
71.04993	0.5
79.05479	13.5
81.03383	1.1
81.07031	2.1
83.04938	0.5
85.02894	1.4
91.04927	0.6
91.05468	5.8
93.07027	12.6
95.04952	2.1
95.08540	0.6
99.04433	0.9
105.04506	0.5
105.07011	10.0
107.01327	0.9
107.04927	0.9
107.08572	45.4
108.08875	0.6
109.02848	1.1
109.06484	1.6
111.08040	0.9
112.85809	0.5
116.13165	0.5
117.06984	2.0
119.05986	0.4
119.08564	2.8
121.06499	2.7
121.10150	3.1
127.03890	1.4
131.08519	1.2
132.64578	0.5
133.10100	0.6
135.08025	1.3
135.11674	2.9
137.05928	1.3
139.07553	0.5
145.06412	0.5
145.10104	5.8
147.08031	0.5
147.11630	0.7
149.05948	0.6
149.09570	1.8
153.01830	1.0
155.04945	1.0
158.76506	0.4
161.09662	0.7
163.11160	13.5
167.07066	1.1
173.09555	0.9
181.04881	0.8
181.12206	2.3
183.04424	1.0
187.03857	0.7
191.10620	11.6
191.12221	0.9
201.05391	1.5
209.07903	0.6
209.11671	3.0
211.03883	7.2
216.95386	0.5
219.02946	0.8
225.05432	1.3
227.12735	3.1
229.04936	4.6
230.81227	0.5
239.03381	1.1
245.04466	0.6
253.04942	1.4
256.03641	1.0
257.04407	41.7
258.04834	1.2
260.03131	1.7
261.03897	6.9
263.01773	0.8
267.02817	3.7
271.03363	0.5
271.05838	2.8
273.03882	29.0
274.04550	2.5
281.04520	0.7
283.05948	0.5
285.03891	100.0
286.04260	2.3
287.01962	0.6
287.05392	1.3
289.03445	0.9
295.05933	1.1
297.03873	3.5
299.02182	0.9
299.05453	8.2
301.03540	1.0
303.04944	53.0
304.05252	1.3
311.05316	1.1
313.03583	0.7
313.07053	0.9
323.05518	1.7
325.03500	0.8
327.04944	11.6
328.05209	0.5
339.04910	3.8
341.06433	1.0
351.04974	1.6
353.15854	2.2
357.05905	3.2
369.06003	7.2
387.07089	4.3
405.08127	4.8
413.78113	0.6
420.02057	0.5
447.14474	0.6
452.71860	0.5
475.13889	0.8
493.14764	3.4
511.15909	6.3
613.18994	1.0
631.19922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2013
Annotation	Cypellogin A
Peak:m/z	Relative Intensity
50.30514	0.3
53.03939	0.9
55.01853	0.8
55.05498	1.1
57.03421	0.4
61.59214	0.3
65.03927	0.8
67.05479	1.8
69.03414	2.4
69.07046	0.8
69.40649	3.5
71.04989	0.7
79.05479	12.6
81.03399	1.0
81.07043	2.6
83.04974	0.6
85.02881	0.6
85.06544	0.4
91.05460	6.8
93.07027	25.0
95.04956	2.6
95.08593	0.7
97.02884	0.7
97.06512	2.3
99.04448	1.9
105.07013	10.4
105.07719	0.5
107.01328	0.5
107.04942	0.6
107.08572	49.7
108.08930	0.6
109.02882	0.7
109.06528	1.7
111.08060	2.4
115.05390	0.4
117.07003	1.4
119.08558	2.9
121.06470	4.1
121.10120	13.7
123.08076	0.5
127.03914	1.4
129.06985	0.4
130.07802	0.8
131.08562	2.5
133.06458	0.4
135.08040	1.2
135.11673	5.0
137.05943	5.5
139.07520	1.4
139.11151	0.4
145.06410	0.4
145.10097	8.2
147.04292	0.3
147.08025	0.4
147.11707	0.6
148.40637	0.3
149.05966	0.7
149.09604	3.6
151.03827	0.4
151.07408	0.3
153.01801	0.7
155.04929	1.5
161.05910	0.4
163.11154	19.8
164.11655	0.3
167.06973	1.5
171.04445	0.4
173.05933	0.3
173.09579	2.1
181.04913	1.0
181.12195	3.6
183.04381	1.0
191.10635	17.2
198.51901	0.3
201.05476	1.4
209.11710	3.7
211.03870	6.4
212.38507	0.4
219.02820	0.5
220.99994	0.3
221.05865	0.3
225.05441	1.2
227.12741	2.7
229.04938	4.0
233.07961	0.7
239.03285	1.0
241.04836	0.3
243.02948	0.5
245.04375	0.7
253.04932	0.7
256.03595	0.7
257.04404	34.7
258.04697	0.7
260.03018	0.8
261.03891	6.5
267.02841	3.3
271.03061	0.5
271.05884	2.6
273.03885	21.1
274.04547	1.1
281.04480	0.3
285.03885	100.0
286.04218	2.1
287.01859	0.9
287.05472	1.0
295.06177	0.8
297.03818	2.5
298.04663	0.6
299.01865	0.8
299.05402	7.1
299.08829	0.4
301.03378	0.7
303.04935	32.0
304.05490	0.7
311.05450	0.9
313.07010	0.9
315.04733	0.6
323.05447	1.3
325.03345	0.4
327.04926	12.0
339.04968	4.6
341.06668	0.5
351.04846	3.4
353.06412	0.3
353.16000	1.7
357.06134	2.1
369.06036	7.6
387.07013	4.7
387.14191	0.6
405.08093	4.9
405.15509	0.6
465.15314	0.3
475.14197	0.4
493.14819	2.3
511.15897	4.7
613.18988	1.0
631.19751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01855	3.7
55.05508	2.1
55.77822	1.3
55.82177	1.3
61.02929	2.0
65.03931	2.3
66.04706	1.9
67.05495	2.0
69.03416	2.7
69.07055	1.3
70.06593	7.2
70.53644	1.5
70.53994	4.3
72.08150	1.9
78.04689	1.5
79.05478	4.4
81.03401	3.2
81.07040	1.7
84.04494	1.7
84.08132	1.8
85.02894	4.6
86.09698	4.0
89.03888	2.3
91.05460	8.7
93.07036	5.2
95.04945	3.0
95.08611	1.6
97.02882	3.2
102.04681	2.6
103.05457	27.5
104.06272	2.0
105.03391	1.9
105.07019	7.7
107.01325	2.3
107.04945	4.8
109.02873	1.9
115.05424	6.1
117.06998	3.8
118.04137	15.4
119.04961	3.2
119.08574	1.8
120.08102	2.2
121.02839	2.6
121.06475	7.8
123.04391	3.3
129.10233	1.4
130.04124	10.7
131.04910	39.9
132.05705	16.9
133.02821	2.0
133.06477	6.2
134.03529	1.3
135.04459	1.6
137.05951	11.2
140.04692	6.7
145.06445	3.7
146.03632	5.5
147.04399	4.5
148.05157	8.3
149.05963	7.2
149.09592	2.0
151.03952	2.5
153.05492	2.0
158.03642	1.5
159.04442	2.7
160.05168	8.1
161.04671	2.5
161.05939	19.6
162.06709	1.6
163.03871	2.8
163.07516	4.9
165.05434	3.5
167.07030	10.9
171.04327	2.2
173.06001	5.6
175.07523	2.1
176.04665	26.7
177.05431	16.6
178.06216	5.0
179.07089	3.7
180.07831	2.9
181.04904	9.1
181.08514	3.4
187.07411	1.5
189.05455	1.4
191.07001	60.0
191.10594	1.8
192.07794	17.5
193.04950	1.6
199.03915	2.5
201.02037	1.5
201.05470	2.1
205.08580	1.9
209.06084	1.8
209.08110	3.6
211.03944	1.5
212.04822	1.3
213.05556	1.8
215.03365	8.5
216.04181	2.1
217.05003	5.2
217.08589	2.7
225.05406	2.6
227.03357	3.5
228.04193	4.5
229.04909	6.6
231.02869	3.1
233.08041	2.8
239.03371	2.6
240.04214	1.9
241.04910	9.1
243.02852	37.9
244.03584	4.0
245.04437	22.2
253.04976	4.2
254.05713	2.6
255.02834	5.5
255.06512	2.6
256.03638	2.8
257.04431	18.1
258.05151	2.4
260.03146	4.1
261.04044	4.0
262.53085	1.4
265.04892	2.4
266.05762	2.5
267.02969	2.1
267.06558	1.3
268.07196	1.6
269.04431	15.4
270.05328	1.6
271.02451	6.9
271.05804	6.9
272.03128	14.5
273.03906	89.2
274.04630	4.7
278.05594	1.3
281.04437	5.8
283.02368	4.8
283.06006	8.5
284.03192	2.3
285.03925	18.0
290.09555	1.4
293.04343	4.2
293.07663	1.4
294.05179	2.7
295.05957	4.1
295.09344	1.5
296.03064	1.8
297.03860	13.1
298.04688	4.9
299.02069	2.1
299.05411	19.5
301.03445	6.3
301.06647	1.6
302.04248	4.3
303.04990	26.5
306.17017	2.1
307.09570	2.0
309.03885	8.1
310.04654	1.6
311.05511	8.0
312.06244	2.7
313.06918	11.5
321.03940	5.7
322.04840	2.0
323.05539	4.5
325.03406	3.6
326.04163	1.7
327.04965	11.6
335.05365	1.8
337.03278	2.1
338.04175	4.0
339.04965	15.7
349.03268	1.9
350.04099	2.7
351.05164	3.3
357.05936	4.0
367.04291	2.0
368.05173	2.3
369.06039	4.9
387.14346	3.6
388.05774	1.4
451.10019	6.8
461.08688	4.1
462.78290	1.8
463.10300	26.8
469.11273	4.4
469.22351	1.4
475.10110	2.2
481.11221	100.0
482.11731	2.9
485.08548	2.5
489.11438	3.8
493.11185	22.1
503.13361	3.7
505.11127	2.4
511.12323	73.7
512.12665	1.8
517.11407	12.0
527.09448	2.0
529.11407	6.8
531.13159	2.0
535.12274	75.8
536.12402	2.0
541.11432	3.6
547.12384	12.0
559.12274	22.4
565.13245	26.1
577.13300	37.4
578.13983	1.6
595.14374	59.4
613.15314	23.2
631.16016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01855	3.2
55.05507	7.0
56.01387	0.8
56.05014	2.2
57.03421	2.0
57.98794	0.8
58.99578	10.6
60.04503	1.2
65.03933	1.1
67.05495	20.6
68.05011	0.8
69.03419	3.4
69.07057	6.1
70.02551	1.0
70.02940	19.5
70.31076	3.1
70.31431	1.1
71.04966	0.8
71.06084	0.8
73.01141	0.7
74.00659	5.0
74.02425	2.1
76.02217	32.9
76.03987	7.8
79.05487	12.6
80.04993	2.4
81.03421	1.7
81.07043	24.1
82.06584	1.0
83.04974	5.8
83.06075	3.7
83.08601	3.6
84.04494	10.9
85.01125	1.7
85.04017	1.0
85.06520	4.2
86.00626	2.6
86.99035	3.7
87.02681	1.3
88.02209	2.5
88.03965	2.1
91.05468	18.7
93.07035	15.0
95.04951	5.8
95.08588	7.6
97.01108	4.8
97.06500	2.6
97.10164	1.0
98.09695	1.9
99.02689	1.0
99.05566	7.6
100.02164	1.2
102.00110	4.0
104.01634	0.9
105.07013	14.4
107.04927	3.6
107.08576	11.7
109.06510	3.5
109.07614	1.6
109.10137	15.6
110.09627	0.8
111.02653	1.6
111.04435	0.8
111.08094	3.6
112.02176	2.9
113.04203	1.2
113.05993	1.1
114.00114	2.0
114.03772	0.9
115.07567	0.9
116.01665	18.4
116.03429	3.2
117.06963	3.1
119.08566	6.8
120.08086	1.2
121.06486	2.9
121.10098	3.0
123.02628	1.1
123.08064	2.9
123.11669	4.5
123.42669	0.7
125.04211	1.2
125.07156	1.3
125.09589	0.8
126.03712	1.5
127.04972	1.1
128.01643	1.2
129.06668	3.9
130.05022	5.3
131.08542	6.0
133.06491	1.4
133.10110	30.3
135.08066	5.0
135.11732	3.3
137.04161	0.8
137.09607	2.3
138.03699	0.7
140.01601	0.9
141.04819	1.5
142.03203	5.8
142.07658	0.8
143.08566	2.4
144.01122	7.9
145.06061	100.0
145.10063	2.4
147.07961	1.2
147.11700	1.6
149.09598	2.1
151.05699	3.4
151.11171	18.4
152.05237	0.8
153.06509	1.9
155.08238	1.2
157.10130	1.8
159.08119	1.1
159.11647	1.5
161.09625	3.2
161.13249	0.9
162.02193	20.6
163.05702	0.8
163.11176	1.6
169.06857	1.5
170.02676	2.7
171.11671	1.2
175.11160	0.8
177.03230	4.6
177.07532	0.9
177.09148	1.8
177.12665	1.0
178.12025	0.9
179.04829	37.2
179.10652	2.8
181.06024	1.8
183.13748	6.8
187.05334	2.0
189.03297	0.9
193.12186	1.1
195.08429	1.0
199.07114	3.0
201.09470	1.5
209.09773	0.9
211.13278	1.2
212.11070	1.1
213.16501	0.8
215.04776	1.6
223.13248	0.8
229.14326	2.7
231.04283	1.4
233.05884	8.8
236.11110	2.7
245.05902	2.3
245.18982	1.7
246.80438	0.7
250.12489	1.4
254.12018	4.0
255.17447	0.8
263.19852	1.5
271.11099	0.9
273.18539	4.9
274.10257	3.6
282.11783	1.0
282.15176	1.7
286.14639	1.8
291.19537	6.0
294.15265	0.9
297.12692	1.5
300.16309	2.7
305.15570	1.1
305.21100	12.3
308.09070	6.5
311.14020	0.8
314.14270	1.2
322.23920	0.9
323.22150	4.4
331.17361	0.8
339.13782	2.5
362.21512	2.0
363.19876	1.1
371.16495	2.0
380.22388	5.6
385.17834	7.4
398.23499	6.3
465.24106	13.2
483.25189	28.3
484.23944	1.4
501.26227	2.8
537.26196	0.7
555.27283	15.7
630.30133	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	630.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.01859	3.4
55.05240	0.8
55.05498	13.4
57.03408	2.4
58.99579	4.5
65.03905	1.4
67.05489	13.4
69.03400	2.9
69.07052	6.2
69.41218	7.3
70.06558	1.0
71.04965	2.1
71.86036	0.6
76.02213	24.6
76.03974	2.0
79.05479	16.8
81.03400	55.9
81.07038	25.3
83.04959	12.2
83.08604	20.3
84.04483	7.8
85.02890	1.2
85.04021	0.9
85.06500	1.9
86.99037	0.9
91.05460	15.2
93.06501	1.0
93.07028	11.7
95.04948	21.7
95.08086	0.8
95.08588	10.2
97.02858	1.8
97.06496	2.8
97.09674	0.8
97.10153	8.2
99.08045	1.3
105.06341	0.9
105.07008	11.6
107.04938	6.3
107.08568	8.2
109.02837	0.9
109.06504	4.3
109.10123	3.1
111.04417	3.4
111.08067	10.7
115.05423	1.1
116.01665	6.1
117.06965	2.7
119.04858	1.0
119.08549	13.7
121.06448	2.4
121.10116	5.1
123.08043	6.9
123.11729	1.0
125.09601	4.8
129.06982	6.3
130.04988	3.9
131.04451	1.0
131.08556	8.8
133.06458	3.6
133.10114	7.6
135.07996	2.9
135.11647	1.7
135.36523	0.6
137.09601	2.9
141.06931	0.8
142.03177	2.3
142.07751	1.6
143.08519	1.1
144.01103	3.6
145.06088	2.3
145.10083	3.4
147.07956	3.5
147.11652	9.0
149.09604	5.9
151.07477	2.4
153.09053	0.7
153.12747	1.3
155.10635	1.8
157.10089	9.0
159.07996	0.7
159.11700	1.2
161.09550	1.5
162.02165	10.8
163.11182	2.4
163.12456	0.8
165.12744	1.7
170.02678	0.8
171.11584	1.1
173.09586	1.2
173.11612	0.7
175.11172	13.3
177.03232	1.2
179.04817	28.2
181.12231	1.5
185.13258	1.0
187.05394	1.1
187.13284	0.9
191.10602	1.0
193.12206	80.8
194.12535	1.7
201.11261	1.0
203.12750	3.3
215.04807	0.9
223.13260	1.6
225.14806	100.0
226.15179	1.3
227.12672	2.0
233.05878	6.4
237.14789	3.1
245.06023	1.1
255.17250	1.0
269.17297	1.0
273.18448	5.0
275.36526	0.8
290.07956	1.0
291.06445	1.2
291.19476	4.7
305.21048	13.9
308.09045	25.3
323.22104	2.1
351.25089	0.8
465.23206	0.9
483.24210	2.3
520.22290	0.8
632.37842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71064	1.2
53.03931	2.6
55.01848	3.7
55.05500	15.0
57.03410	3.0
58.99560	4.4
59.04990	0.9
61.82578	0.9
67.05495	14.6
69.03401	3.5
69.07047	5.8
70.06566	1.9
70.45470	4.5
71.04970	1.9
76.01789	1.4
76.02218	26.9
76.03976	1.6
78.01791	1.0
79.05480	17.7
81.03407	57.7
81.07042	22.4
83.04964	12.6
83.08610	23.0
84.04507	7.2
85.02869	1.3
85.03986	1.0
91.05468	15.7
93.07024	12.3
95.04956	24.2
95.08591	8.9
97.02873	3.0
97.06499	2.2
97.10152	8.0
98.20718	1.0
99.08052	1.3
105.07015	16.1
107.04948	5.9
107.08573	8.2
109.02872	1.6
109.06490	3.5
109.10130	4.3
111.04396	3.4
111.08058	11.8
114.03686	1.1
115.05458	1.4
116.01670	6.2
117.06979	2.9
119.07742	1.2
119.08563	13.8
121.06463	2.2
121.10123	7.1
123.08060	7.6
125.09631	6.8
127.03806	1.1
129.07010	7.5
130.04962	3.9
131.08546	10.8
133.06461	3.2
133.10066	6.1
135.07999	2.5
135.11664	2.0
137.09607	1.7
141.36809	1.1
142.03177	2.9
142.07721	2.4
143.08441	1.2
144.01109	3.9
145.06119	1.2
145.10094	4.7
147.07997	4.0
147.11658	9.9
148.04585	0.9
149.09621	5.7
151.07495	2.0
155.08633	1.1
155.10675	1.7
157.10117	9.4
161.09586	1.3
162.02180	13.1
163.11156	2.7
165.12704	2.3
170.02773	1.4
175.11150	12.4
177.03224	1.8
179.04834	27.7
193.12212	94.0
201.11244	1.4
203.12750	3.2
223.13171	2.0
225.14821	100.0
227.12747	2.7
233.05875	8.8
235.86549	1.0
237.14815	3.2
245.05856	1.5
255.17343	1.5
258.64163	1.0
269.17636	1.4
273.18472	5.8
291.19479	4.0
305.21072	17.2
308.09052	25.7
323.21967	1.9
351.24713	1.3
374.53610	1.1
483.24161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01857	2.1
55.05283	0.8
55.05506	13.0
55.57187	0.9
57.03421	3.8
57.07063	2.7
67.05183	1.4
67.05497	14.5
68.69157	0.9
69.03408	5.9
69.06689	1.3
69.07056	22.2
69.39838	5.8
69.40275	3.8
71.04980	1.6
71.08626	1.0
79.05471	7.6
79.35542	0.8
81.03394	4.9
81.07039	22.5
83.08614	12.3
85.02890	10.7
85.06513	1.9
87.00819	4.8
88.61900	0.9
91.05466	7.5
93.07040	8.8
95.04951	1.4
95.08591	20.0
97.02855	3.5
97.06505	2.2
97.10151	15.0
98.20664	1.6
99.04438	1.3
99.08067	1.8
101.44138	0.8
105.01837	3.3
105.07003	5.1
107.08559	7.8
109.02840	4.0
109.10130	10.9
111.08064	2.0
111.11696	4.0
113.09708	0.9
115.50945	0.9
119.08546	7.0
121.10116	10.2
123.11698	5.5
127.03884	5.9
133.10129	8.5
135.11676	9.5
137.05978	2.0
137.09578	3.1
137.13222	2.7
139.11147	1.9
141.03206	0.9
145.04938	1.3
147.11650	6.0
149.13194	2.7
151.11127	2.5
151.14735	1.8
153.12717	2.1
159.02783	1.6
161.13258	4.4
165.12721	1.6
167.07004	3.7
168.07326	1.2
175.07538	1.2
175.14771	1.1
175.82397	0.8
181.04956	4.3
191.07028	0.9
208.07254	1.1
217.19441	6.6
235.20540	6.4
245.96811	0.9
246.64087	1.2
253.21574	8.8
285.03864	1.5
303.05246	0.9
309.24384	4.4
327.25238	100.0
328.25626	2.7
335.67160	1.0
345.26294	16.9
593.30688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
54.22092	1.2
55.01865	8.3
55.05502	17.6
55.89246	1.4
57.03420	7.4
67.05492	31.0
69.03402	2.9
69.07058	22.8
69.85694	9.2
71.04980	5.0
73.02892	1.9
79.05473	27.9
81.03402	5.4
81.07042	83.3
83.04949	6.9
83.08613	11.3
85.02898	3.2
85.06543	2.7
91.05461	25.9
93.07028	23.4
95.04955	12.7
95.08592	25.0
97.06514	10.9
97.10138	2.3
99.08050	3.6
105.07010	26.6
107.04906	9.7
107.08573	17.7
109.02852	4.4
109.06501	30.5
109.07209	2.3
109.10125	7.2
111.04439	2.6
111.08067	4.3
117.06983	7.9
118.32181	1.4
119.08549	20.9
121.06457	5.1
121.10130	12.6
123.08052	7.5
123.11685	5.8
125.09628	2.6
127.03909	1.9
129.07001	4.3
131.08533	15.1
132.99527	1.5
133.06479	1.9
133.10114	17.4
135.08029	3.7
135.11653	7.5
137.09602	4.9
139.11240	1.3
141.06975	1.2
143.08522	3.2
145.10117	9.6
145.92014	1.3
147.08020	1.7
147.11656	15.1
149.09642	6.3
149.13246	7.5
151.11104	2.8
157.10091	3.8
159.08054	1.5
159.11685	7.6
161.09636	3.2
161.13242	4.5
163.11154	6.9
163.14812	1.7
165.12744	5.8
167.07031	2.6
171.11711	2.0
173.09653	1.7
173.13251	4.0
175.11142	4.5
177.12718	2.8
179.14282	1.7
183.11810	1.6
184.07509	1.3
191.00111	2.1
201.12778	1.3
227.12865	1.4
229.19553	3.3
239.18111	1.7
247.20499	3.8
257.19000	6.7
269.17377	2.0
275.20029	60.5
276.20364	1.9
293.21094	24.5
349.23676	100.0
350.24002	4.1
367.24750	98.0
368.24887	3.8
402.91971	1.3
497.18036	3.6
556.19366	4.3
575.25201	11.7
593.26331	21.2
600.47913	1.4
629.22357	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	628.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
54.22092	1.2
55.01865	8.3
55.05502	17.6
55.89246	1.4
57.03420	7.4
67.05492	31.0
69.03402	2.9
69.07058	22.8
69.85694	9.2
71.04980	5.0
73.02892	1.9
79.05473	27.9
81.03402	5.4
81.07042	83.3
83.04949	6.9
83.08613	11.3
85.02898	3.2
85.06543	2.7
91.05461	25.9
93.07028	23.4
95.04955	12.7
95.08592	25.0
97.06514	10.9
97.10138	2.3
99.08050	3.6
105.07010	26.6
107.04906	9.7
107.08573	17.7
109.02852	4.4
109.06501	30.5
109.07209	2.3
109.10125	7.2
111.04439	2.6
111.08067	4.3
117.06983	7.9
118.32181	1.4
119.08549	20.9
121.06457	5.1
121.10130	12.6
123.08052	7.5
123.11685	5.8
125.09628	2.6
127.03909	1.9
129.07001	4.3
131.08533	15.1
132.99527	1.5
133.06479	1.9
133.10114	17.4
135.08029	3.7
135.11653	7.5
137.09602	4.9
139.11240	1.3
141.06975	1.2
143.08522	3.2
145.10117	9.6
145.92014	1.3
147.08020	1.7
147.11656	15.1
149.09642	6.3
149.13246	7.5
151.11104	2.8
157.10091	3.8
159.08054	1.5
159.11685	7.6
161.09636	3.2
161.13242	4.5
163.11154	6.9
163.14812	1.7
165.12744	5.8
167.07031	2.6
171.11711	2.0
173.09653	1.7
173.13251	4.0
175.11142	4.5
177.12718	2.8
179.14282	1.7
183.11810	1.6
184.07509	1.3
191.00111	2.1
201.12778	1.3
227.12865	1.4
229.19553	3.3
239.18111	1.7
247.20499	3.8
257.19000	6.7
269.17377	2.0
275.20029	60.5
276.20364	1.9
293.21094	24.5
349.23676	100.0
350.24002	4.1
367.24750	98.0
368.24887	3.8
402.91971	1.3
497.18036	3.6
556.19366	4.3
575.25201	11.7
593.26331	21.2
600.47913	1.4
629.22357	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	628.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01864	3.9
55.05506	10.0
56.05033	2.1
57.03428	13.9
58.99574	18.9
65.03933	1.6
65.18025	1.1
67.05495	22.6
69.03415	1.1
69.07054	6.4
69.72024	6.5
69.72431	2.3
70.06564	1.8
71.04990	1.4
74.00663	1.3
76.02216	80.3
76.03981	3.1
79.05482	17.8
80.05005	2.8
81.03403	5.5
81.07043	23.7
83.04969	23.3
83.06070	12.3
83.08604	6.0
84.04486	13.4
84.25061	0.9
85.06526	3.9
86.99045	7.4
88.02210	1.9
91.05470	19.4
93.05775	6.1
93.07031	23.4
95.04946	10.0
95.08587	11.7
97.01082	2.5
97.02886	1.4
97.06509	2.9
98.00629	1.6
99.02650	1.6
99.04431	1.3
99.05566	2.4
100.02192	2.7
103.30180	1.1
105.07014	15.8
107.04938	18.7
107.08575	8.3
107.71609	1.1
108.08105	1.7
109.06507	8.8
109.07591	2.4
109.10124	3.7
110.06019	1.2
111.02654	1.4
111.04427	21.2
111.08060	1.9
112.02185	2.6
113.05989	3.2
114.03726	2.3
115.05463	1.9
116.01665	23.3
117.07029	9.7
119.08553	11.5
121.06514	5.4
121.10148	5.2
122.07239	1.0
123.04436	2.9
123.08058	3.7
124.02100	1.8
125.05979	2.5
126.03721	55.8
127.04502	3.6
128.05284	4.9
128.06174	2.0
129.06853	4.9
130.05005	7.6
131.08537	12.3
133.06506	5.6
133.10101	8.3
134.01839	1.2
135.08041	7.6
135.11655	7.9
137.04195	1.3
137.06013	1.9
137.09575	1.4
139.02084	1.6
139.08591	1.0
140.05260	7.0
141.03740	1.7
141.04781	5.0
141.06940	3.3
142.03198	12.1
142.56616	1.1
143.07437	1.0
143.08574	5.4
144.01115	13.6
145.06454	6.2
145.09018	1.4
145.10051	5.9
147.08034	7.1
147.11650	2.6
149.05931	1.3
149.09601	1.8
149.13194	5.4
151.07513	2.1
152.05289	2.0
153.03619	1.4
153.06555	3.1
155.08392	3.8
157.10088	3.5
158.09631	1.4
159.08025	6.2
159.11668	9.5
161.04082	1.0
161.09552	7.1
162.02176	36.6
163.07538	1.3
163.11163	4.7
164.05270	2.1
165.03671	1.4
167.06992	1.1
168.04773	2.0
169.10126	3.4
170.02678	8.9
171.11682	2.4
173.09644	2.5
173.11803	1.1
173.13158	2.3
175.05811	1.4
175.11128	2.5
177.03313	1.4
177.09218	1.2
177.12730	13.6
179.04829	52.4
181.05980	1.4
183.07642	3.7
183.11684	2.1
185.03758	3.6
187.05333	17.5
187.11189	4.5
187.14799	3.0
189.12704	2.1
197.13220	1.7
199.07173	1.8
199.11275	1.2
199.14696	1.2
201.12755	1.2
205.15865	3.6
207.11781	1.0
207.13843	1.3
209.15385	1.5
215.04832	3.7
215.14355	2.5
219.13794	1.4
225.16327	1.4
229.06465	6.4
231.04333	7.0
233.05870	60.3
233.15271	5.7
234.06065	1.3
243.07970	5.8
243.17436	2.7
245.05882	3.5
253.15855	2.6
261.18475	7.7
267.08133	1.5
271.16925	9.4
289.17920	29.8
290.08176	1.3
290.18204	1.5
291.06281	2.7
291.19458	1.8
303.14124	2.4
303.19519	25.0
307.18658	1.5
308.09052	30.1
321.20514	10.4
328.17294	2.3
334.18256	2.3
335.16711	9.5
346.18384	7.4
353.17700	1.3
360.19855	3.4
374.17807	3.4
378.16339	2.1
378.20935	31.7
379.21469	1.4
392.18805	1.3
400.57642	1.1
406.20450	3.1
409.83536	1.1
421.21149	1.5
431.20245	2.2
444.67804	1.0
449.20987	1.1
463.22577	72.2
464.22687	3.6
481.23621	100.0
482.23712	4.7
553.25787	17.1
610.27954	2.2
628.28943	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	628.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
56.12604	0.9
57.03426	0.9
61.02918	1.5
69.03400	2.4
69.42141	6.0
69.42560	3.0
70.06565	3.3
71.04951	0.8
72.08110	0.9
79.05478	6.5
81.03388	1.7
83.11584	0.9
84.08096	1.2
85.02904	8.1
86.09704	1.2
91.05450	3.1
94.04138	3.0
95.04937	2.3
97.02863	3.3
103.05393	1.0
107.04936	13.9
109.06483	2.1
111.07996	1.1
115.05397	1.3
116.06187	1.0
117.06987	0.9
120.08065	2.4
121.02808	1.1
122.03646	5.0
123.04372	1.3
124.05169	2.7
125.05951	1.4
125.81934	0.8
127.03883	2.1
127.05540	0.9
128.06209	4.8
129.06990	12.8
131.04927	2.4
131.08533	4.3
137.05952	100.0
141.06969	2.2
144.05656	4.0
145.04912	1.9
145.06412	2.9
149.05994	1.5
151.03896	1.7
151.07541	1.9
152.04619	1.9
156.05661	8.6
157.06451	12.5
158.07237	2.2
159.04359	1.5
159.08043	12.0
160.05135	0.8
161.05916	1.5
162.07570	2.3
163.07610	1.0
167.07016	48.6
169.06421	1.3
172.05153	3.0
173.05914	1.6
174.06761	5.7
175.07509	6.4
177.05478	1.4
180.08617	3.8
184.05261	1.3
184.68010	1.0
185.05943	3.9
186.06766	2.1
187.07500	23.2
189.07138	1.8
189.09068	11.6
190.06158	1.3
190.07706	2.0
191.07030	1.1
193.10149	1.5
195.06496	1.1
197.05922	1.2
199.07539	3.5
201.09033	3.2
202.06172	3.7
202.07768	1.1
203.08501	3.0
205.06673	1.6
205.08537	3.9
205.10220	1.7
206.07310	1.3
207.06392	1.3
207.08130	1.4
215.06915	3.0
215.08620	2.2
217.08565	55.5
218.07182	4.7
219.08037	2.5
219.10123	5.3
220.08798	1.1
221.09637	5.0
229.08586	2.0
231.08038	3.9
231.86775	1.0
232.08908	1.9
233.05988	1.1
233.09601	9.2
234.06686	3.7
235.07457	4.5
238.09906	1.7
241.08586	2.8
243.08049	1.1
246.06650	2.5
247.07413	2.8
247.09651	14.2
248.08311	2.6
249.09062	12.9
250.09828	1.7
251.07043	3.5
251.10553	1.1
259.07489	1.1
260.08325	3.1
261.09073	14.2
262.06110	2.8
262.09821	1.9
263.06955	5.6
263.10544	1.8
265.08655	1.8
266.09241	5.5
269.08035	1.6
277.08505	10.0
278.09256	8.2
279.06482	2.3
279.09967	2.0
280.07321	1.3
281.11691	5.0
285.04102	2.0
285.07455	1.7
289.08551	6.0
290.09198	1.1
291.06564	1.8
291.09949	1.5
292.10822	1.4
293.08151	2.2
293.11588	11.1
294.08600	2.4
295.09634	3.0
300.09714	1.0
301.10626	3.7
303.04852	0.9
305.08023	1.3
306.08740	5.7
306.70688	0.9
307.09470	7.0
308.06653	2.5
309.11182	12.2
311.09106	1.5
320.10284	2.1
321.11191	17.5
322.11847	2.6
323.09030	9.1
325.10675	1.4
326.11438	10.9
327.12207	1.7
338.11432	5.8
341.13779	31.7
353.13788	78.6
354.13980	1.9
355.15475	1.6
371.14822	71.5
413.15894	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	627.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.1
53.03944	5.8
55.01868	9.4
55.05502	25.5
56.05849	1.2
57.03423	5.8
57.07069	2.6
58.94774	1.1
59.04982	1.3
65.03922	4.3
67.05495	61.3
69.03382	1.1
69.07061	26.6
69.37320	13.1
71.04971	3.1
71.08616	3.4
77.03925	1.4
78.04685	1.0
79.02186	1.1
79.05482	56.6
81.03406	3.0
81.07045	100.0
83.04961	5.5
83.08605	15.2
85.06534	3.1
91.05467	43.1
93.07031	51.4
95.04953	11.3
95.08591	47.7
97.06513	12.8
97.10159	3.8
99.08090	4.3
103.12706	1.3
105.04540	1.3
105.07018	43.6
107.04918	5.3
107.08576	32.2
109.06500	15.0
109.07108	1.5
109.10150	15.6
111.08083	3.9
113.06048	0.9
115.05447	1.2
117.07020	12.1
119.08559	32.6
121.06492	2.5
121.10136	24.0
123.08037	6.5
123.11684	10.6
125.09624	3.3
127.07563	1.4
128.06212	2.0
129.06998	6.5
130.07809	1.3
131.08549	16.0
133.10120	19.0
135.08037	3.0
135.11676	15.3
137.09612	4.3
137.13243	1.7
139.11171	2.1
143.08566	5.6
145.06441	1.0
145.10107	17.1
147.08067	1.3
147.11661	26.1
149.09602	5.5
149.13245	10.8
151.11166	2.2
155.04147	1.1
155.08559	2.4
157.10132	5.5
159.11708	9.5
161.09586	1.4
161.13280	9.5
163.11137	5.2
163.14819	4.5
165.12726	6.5
167.14301	1.1
169.10124	2.9
171.11670	6.0
172.12065	1.1
173.13242	6.5
175.11224	2.7
175.14821	2.4
177.12753	1.5
177.16400	1.7
179.14247	2.9
183.11746	2.7
185.13219	4.1
185.14955	1.3
187.14792	3.5
193.12308	1.8
197.13234	1.5
201.12782	2.3
201.16341	2.3
211.14841	1.7
213.16400	1.9
219.17415	1.7
221.15277	1.4
221.35693	1.1
223.14912	1.6
225.16582	1.5
229.19569	2.7
239.17976	2.5
241.19498	2.5
243.21025	2.1
247.20619	2.8
257.19028	4.6
259.20547	4.6
261.22046	6.0
265.21738	1.2
267.15918	4.4
273.18585	1.4
275.20010	37.9
277.21756	6.7
291.19672	1.7
293.21051	8.5
317.24887	2.2
333.24271	5.9
335.25800	19.4
349.23694	17.1
351.25403	3.8
365.38577	1.1
422.05411	1.3
426.14291	1.1
437.34198	1.5
499.38782	1.5
517.40356	3.1
529.38959	2.5
535.41174	3.1
553.42633	2.6
557.38489	1.4
609.45093	27.1
609.54962	1.7
627.46045	51.5
628.45862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.6
53.03933	6.5
55.01862	12.6
55.05234	2.5
55.05502	46.3
56.44265	1.3
57.03424	7.8
57.07065	3.0
63.31391	1.5
65.03924	5.1
67.05494	79.0
69.03415	4.1
69.07056	32.9
69.53331	11.5
71.04987	8.7
75.32247	1.6
79.05478	83.9
81.03394	5.1
81.07040	80.4
82.75893	1.3
83.04969	14.4
83.08607	21.1
85.02885	3.6
85.06540	3.5
91.05012	1.1
91.05462	57.8
93.07028	81.0
95.04950	52.9
95.08587	58.3
95.09190	3.2
97.06519	11.2
97.10150	10.1
99.04425	9.4
99.08046	2.2
105.07008	40.9
107.04955	8.5
107.08579	47.3
109.06511	10.1
109.10133	24.5
111.04423	10.8
111.08057	7.7
113.09619	1.8
115.05430	2.3
117.06982	15.5
119.08559	29.2
120.21141	1.3
121.06515	5.3
121.10114	36.8
121.10970	2.1
123.08058	4.6
123.11688	6.4
125.09585	11.9
129.07019	7.0
131.08536	26.4
133.10107	22.4
135.08032	5.1
135.11681	17.2
137.09602	2.6
139.11163	3.5
141.06963	3.5
142.07735	1.7
143.08546	4.2
145.10110	26.5
147.08032	2.3
147.11659	13.7
149.09578	24.8
149.13225	8.9
151.11142	2.3
153.09189	1.6
155.08499	3.2
157.10167	8.1
159.11682	16.4
161.09615	2.2
161.13248	10.6
163.11147	19.6
163.14838	2.4
165.12817	3.5
169.10086	2.6
171.11703	2.9
173.11942	2.1
173.13197	10.2
175.14812	3.5
177.12698	2.6
179.14273	2.1
183.11786	3.8
183.13860	1.8
185.13264	2.4
187.11205	3.6
187.14767	3.6
189.11192	12.8
189.12671	1.7
197.13258	3.8
199.14909	3.4
201.16341	1.6
205.12143	6.8
207.13785	1.9
215.17952	2.3
223.13266	57.3
227.12805	3.2
229.19580	4.3
239.17912	3.4
247.20551	2.8
257.18982	10.1
259.20569	3.6
261.22147	6.8
275.20023	67.3
277.21600	1.9
293.21057	31.6
315.42712	1.5
317.24774	2.7
333.24268	1.6
335.25711	22.4
349.23712	14.3
351.25110	1.5
367.24969	2.0
394.70367	1.4
501.35406	2.5
535.41339	3.6
609.44958	21.6
627.46039	100.0
628.46533	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	627.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
57.03397	0.7
60.61494	0.7
67.05497	4.2
69.07026	1.6
69.36502	5.9
69.36916	2.4
70.02221	0.8
70.02907	1.2
75.58360	0.8
79.05427	3.2
80.05779	0.8
81.07050	5.7
83.08582	1.6
91.05412	3.4
93.07033	3.7
95.04933	1.1
95.08541	2.7
97.06461	0.9
97.10107	0.9
105.07040	3.6
107.08549	2.0
109.06490	1.2
109.10065	2.0
117.06957	1.8
119.08539	1.6
121.10069	1.3
129.06975	1.0
131.07265	1.0
131.08475	2.0
133.10036	2.1
135.11621	1.2
136.07477	1.6
143.08533	0.7
144.08025	0.9
145.10065	1.3
146.09627	1.0
159.11626	1.5
171.11636	0.8
172.07495	1.4
173.13185	1.1
174.09119	4.9
187.08676	0.8
187.12344	4.4
188.10637	2.0
197.10645	1.4
199.08646	0.9
211.08650	1.3
212.09236	0.7
215.11769	3.2
223.08630	1.4
224.09367	1.1
225.10143	3.3
227.11726	3.2
235.08511	1.4
239.11797	2.9
239.17982	0.8
241.13245	2.2
243.11249	28.1
244.11693	0.8
249.10223	2.2
251.11737	1.9
253.09682	2.1
261.10303	0.9
263.11716	0.9
265.09726	1.6
266.10345	0.8
267.11252	7.9
269.12869	1.8
275.11780	1.1
275.20093	1.4
277.09641	3.0
277.21368	0.9
285.12268	2.6
287.10907	0.8
291.11142	2.1
295.10696	2.8
299.14063	0.9
301.12094	1.5
301.15359	1.6
304.10974	1.0
309.12283	1.7
314.12930	1.8
315.10007	0.9
316.10767	2.6
316.14264	1.3
319.10626	1.6
325.15451	13.3
326.12799	1.0
327.13153	4.4
328.10779	2.6
328.14310	1.7
329.11523	1.9
330.12350	3.2
330.15872	1.3
331.13068	1.0
334.15375	2.2
341.15527	0.9
342.12314	4.2
343.13049	3.7
344.14017	4.1
345.14816	2.0
346.15411	3.2
348.13458	5.0
355.13348	1.0
356.13803	3.1
357.14703	2.2
358.15506	3.5
360.17010	0.9
370.15359	2.4
372.17117	4.7
373.17621	1.8
374.14603	1.6
382.15637	1.0
386.14798	2.1
390.15100	0.9
398.14731	1.2
400.16605	3.1
403.15723	2.0
407.14838	1.2
408.15762	0.9
412.16391	1.0
418.17267	1.6
419.18610	1.1
420.17010	1.3
421.16797	1.3
422.17865	1.4
423.17920	0.9
430.17755	1.0
431.18774	1.4
432.19247	2.8
434.18970	0.8
435.13898	1.6
435.18839	1.4
437.19720	3.3
447.21655	3.8
449.20279	1.0
450.16443	1.5
451.17612	3.1
460.18622	2.1
461.23392	2.4
462.24304	2.5
463.22256	3.5
464.17728	1.5
465.18781	15.1
466.19485	1.5
475.21490	1.2
477.19098	1.8
478.19788	1.7
479.20599	7.2
480.21368	3.7
481.22507	3.9
489.22751	1.3
490.21359	1.1
491.20758	2.1
492.21216	2.5
493.23331	3.7
504.21164	1.7
506.22574	1.7
507.23877	5.6
508.21097	2.3
517.22034	1.5
521.21484	1.2
535.23285	8.4
549.24915	15.8
550.25317	1.2
552.23444	1.6
553.24194	2.3
563.22650	1.6
567.25940	93.5
568.26343	3.4
577.24695	2.4
595.25427	100.0
596.25793	4.4
609.27289	1.2
609.44489	1.8
627.28033	46.8
627.43835	5.0
628.28088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2801
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05508	0.9
67.05485	2.0
77.13348	0.4
79.05466	1.5
81.07036	1.9
84.10872	0.6
91.05458	2.1
93.07016	1.2
93.59084	0.6
95.04960	0.7
95.08617	0.7
97.10143	0.8
100.41464	0.5
105.06983	1.1
107.08577	1.1
108.08063	0.8
109.10168	0.7
117.05757	0.5
117.06995	0.6
118.06517	0.7
119.08597	1.1
120.04436	0.8
120.08076	0.6
120.47014	0.5
122.06018	0.7
129.06924	0.5
130.06525	0.6
131.08575	0.6
133.10196	0.8
136.07559	1.0
138.09158	0.6
145.10115	0.5
146.09607	0.8
158.08403	0.7
160.07552	0.6
161.13208	0.5
172.07675	0.6
174.09134	4.7
184.09908	0.5
186.09261	1.0
187.12253	3.9
188.10707	1.7
190.04991	0.6
197.10786	0.9
198.09175	0.8
199.08612	0.8
200.09363	0.9
211.08659	1.3
212.09418	1.0
213.10201	0.9
215.11774	2.7
223.08786	0.7
224.09401	0.9
225.10234	3.2
225.12221	0.5
226.10970	1.0
227.11742	2.5
229.88666	0.6
235.08646	1.4
237.10217	0.8
238.10944	0.6
239.11879	2.4
240.12334	0.7
241.13344	3.1
243.11284	20.9
244.11621	0.9
249.10312	1.5
251.11784	2.0
252.08920	0.8
253.09738	2.3
257.95337	0.7
265.09821	0.5
265.13449	0.6
267.11270	6.4
269.12860	2.4
277.09702	1.2
284.11240	0.8
285.12231	2.6
291.11264	0.7
293.12976	0.8
295.10828	3.0
299.14236	0.7
300.11349	0.8
301.12439	1.0
301.15533	3.6
304.10822	1.0
309.12299	1.9
311.14157	0.7
314.12933	1.2
316.10934	1.2
317.11789	0.9
319.10687	1.4
320.14005	0.8
325.15472	7.4
326.12909	0.7
327.13406	6.9
328.10757	1.7
328.14410	1.6
329.11639	1.5
330.12448	2.3
330.16013	0.8
331.13132	1.4
332.14050	0.7
334.15381	1.2
342.12415	3.3
343.13165	2.6
344.13971	3.4
344.17657	0.9
345.14548	0.7
346.15628	2.1
348.13358	2.6
351.13608	0.9
354.12122	0.6
355.13205	0.8
356.14005	2.6
357.14661	1.5
358.15579	2.7
360.16928	0.7
370.11502	0.9
370.15591	1.9
371.16306	1.1
372.13196	0.8
372.17160	4.6
374.14783	0.7
382.16147	0.8
384.13046	0.9
384.17270	1.6
385.17657	0.8
386.14792	1.9
386.18784	1.6
390.18384	0.6
398.15109	1.0
400.16553	2.2
403.16022	2.1
405.16827	0.6
408.16324	0.7
412.16815	0.9
416.16013	1.0
417.17087	0.8
418.17615	1.5
419.18762	1.0
421.16739	1.2
422.17868	0.8
423.17889	1.0
430.17780	1.4
431.18448	1.9
432.19284	3.9
433.20419	0.8
435.14011	1.2
435.19070	1.2
436.19803	1.0
437.19962	2.1
438.21146	0.9
447.16843	0.7
447.21805	2.4
449.15900	1.9
449.20639	0.9
450.16898	1.5
451.16986	1.1
451.22379	0.8
452.22208	0.8
460.18707	1.5
461.23370	1.5
462.23810	2.2
463.21783	3.2
464.18155	0.6
465.18799	12.2
466.19482	1.0
472.18869	0.9
473.19843	0.7
475.20859	0.6
477.19431	1.7
478.20071	1.6
479.20410	5.3
480.21646	3.5
481.22263	3.1
489.22864	1.1
490.19852	0.7
491.20752	1.1
492.21515	3.0
493.22864	3.1
495.16779	1.0
504.21167	2.9
505.21713	0.8
506.22955	0.7
507.24243	4.3
508.21619	0.7
509.22360	0.6
513.36133	0.5
517.21997	1.6
519.20178	0.6
520.21460	2.1
521.25995	0.8
527.26495	0.7
535.23425	6.6
539.26642	0.7
540.23602	0.6
541.24091	1.2
549.24994	10.8
550.24780	1.1
552.23907	0.7
553.24536	2.8
563.22791	1.2
567.25983	64.5
568.26379	3.9
577.24652	1.2
581.27454	0.8
595.25427	47.8
596.25897	3.6
609.27094	1.0
609.44373	0.8
619.96167	0.5
627.28052	100.0
628.19342	0.9
628.29132	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
53.73943	1.3
55.01667	1.1
55.01865	11.3
55.05507	37.2
57.03421	7.7
57.07063	5.0
59.04982	2.4
65.03899	2.0
67.05495	74.1
68.05844	1.1
69.03407	5.8
69.07062	34.3
70.07207	2.4
70.07623	4.0
71.04977	7.9
79.05483	50.7
80.05822	2.1
81.03413	6.2
81.07043	73.5
82.07375	3.7
83.04964	7.3
83.08608	20.4
85.06543	3.6
91.05467	42.8
93.07030	53.4
93.20835	1.3
95.04942	8.6
95.08595	46.8
97.06512	12.3
97.10156	14.9
99.08086	3.3
103.05439	1.4
105.07013	46.1
107.04943	5.7
107.08581	33.0
108.08901	1.5
109.06499	7.6
109.10139	23.3
111.08061	5.7
113.09617	1.5
115.05466	2.3
116.59937	1.4
117.07003	21.4
119.08567	37.0
121.06506	3.8
121.10120	17.9
123.08024	3.0
123.11663	12.3
125.09645	9.4
128.06203	5.5
129.06987	18.4
130.07788	2.0
131.04951	1.5
131.08548	29.2
131.09459	2.3
133.06581	1.5
133.10106	29.0
135.08041	4.8
135.11665	15.7
135.29401	1.3
137.09587	2.8
137.13258	1.9
139.11140	2.9
141.06941	9.2
142.07774	5.2
143.08542	27.3
144.09352	1.6
145.06503	2.4
145.10100	33.3
147.08078	2.5
147.11658	18.7
149.09564	6.5
149.13226	6.7
151.11156	2.0
154.07744	2.0
155.08530	16.7
156.09351	2.4
157.10112	27.3
159.08038	3.5
159.11682	22.4
161.09601	2.2
161.13239	9.3
162.45908	1.3
163.11147	6.2
163.14830	2.2
165.07098	1.8
165.12750	2.4
167.08575	7.4
168.09325	2.9
169.10118	23.0
170.10905	2.0
171.08049	1.9
171.10228	1.7
171.11676	23.0
173.09549	2.1
173.11845	2.9
173.13177	12.8
175.11208	2.5
175.14812	6.1
177.12686	2.6
179.08557	2.1
179.14215	1.8
180.09355	1.4
181.10063	10.6
182.10797	2.4
183.11685	19.6
185.09639	2.2
185.13223	16.7
185.14743	1.6
187.11221	1.8
187.13290	2.8
187.14839	9.7
189.11223	6.1
189.12715	2.6
189.16432	2.2
193.10106	2.9
195.11679	13.3
195.13416	2.3
196.12427	2.2
197.13252	16.0
199.11157	2.0
199.14728	9.8
201.12726	1.5
201.16373	2.6
203.14380	2.2
207.11699	3.2
208.12447	2.0
209.13257	8.6
209.15071	1.3
210.13954	1.5
211.14821	9.7
213.12737	1.7
213.16389	8.6
215.17906	2.6
217.15950	2.3
221.13235	3.4
223.14764	6.7
225.16423	6.0
227.12798	5.9
227.17943	3.5
229.14253	2.6
229.19342	2.1
233.13336	2.4
235.14876	3.7
237.16344	6.2
239.17964	6.0
241.19600	6.4
243.15976	4.0
247.14740	1.7
249.16487	3.0
251.17917	3.0
253.19522	2.2
257.19043	4.9
259.20624	8.0
263.17902	2.6
265.19479	1.8
267.20908	2.1
269.22537	1.4
273.18631	2.8
275.20035	14.0
276.20523	2.1
277.21674	2.9
279.21082	1.9
285.21954	1.6
292.19153	2.6
293.21036	2.1
299.20313	1.8
305.22549	2.0
309.22113	2.0
315.23117	2.5
323.23724	1.9
327.23456	1.9
333.24329	3.4
335.23810	1.8
339.23328	2.0
341.24677	1.8
347.22906	1.8
349.23975	5.8
365.28391	9.5
367.26324	1.7
379.30008	2.5
381.31628	2.1
383.29504	3.3
405.31100	1.7
409.30881	2.2
421.30954	5.0
439.32166	3.4
440.88480	1.5
447.32309	2.0
463.30862	2.0
475.43268	1.4
495.34415	2.2
497.37173	2.2
513.35626	14.1
515.38873	8.5
527.37469	2.8
533.39825	15.9
551.40741	11.2
555.36804	1.9
567.40344	1.8
589.42725	3.6
607.33710	2.7
607.43530	47.7
608.44232	2.2
625.44507	100.0
626.44958	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
53.36709	1.2
54.23106	1.2
55.01865	10.6
55.05230	2.4
55.05503	39.5
56.47013	1.2
57.03432	8.0
57.07063	4.6
59.05009	2.0
61.58036	1.2
65.03931	2.2
67.05494	74.6
69.03415	3.0
69.07054	31.6
69.70444	8.6
71.04990	7.0
71.08633	1.5
77.03928	1.8
77.68710	1.2
79.05480	50.8
81.03413	5.0
81.07042	69.5
82.07342	1.5
83.04958	8.2
83.08606	18.8
85.06539	3.9
91.05462	48.1
93.07029	52.1
95.04954	10.9
95.08596	44.8
97.02863	1.3
97.06515	11.8
97.10159	13.7
98.21450	1.9
99.08067	2.6
103.05475	1.6
105.07014	47.9
107.04940	4.6
107.08575	36.9
108.08878	1.5
109.06497	6.8
109.10133	26.1
111.08077	4.9
115.05450	3.5
117.06994	25.8
119.08562	40.3
119.09415	2.3
121.06499	4.4
121.10133	21.0
123.08058	3.1
123.11687	13.2
125.09592	9.8
128.06230	6.4
129.05530	2.2
129.06995	21.0
130.07719	1.5
131.08556	37.8
132.08926	1.6
133.06483	3.1
133.10109	30.1
135.08055	5.6
135.11671	16.4
137.09613	4.0
139.11174	2.5
141.06976	9.7
142.07788	5.3
143.08543	25.8
143.09644	2.1
144.09268	2.5
145.06505	2.6
145.10106	31.0
145.11229	2.3
147.08078	2.6
147.11659	21.6
149.09621	5.6
149.13245	5.7
151.11159	2.1
153.07014	2.7
153.09171	1.5
154.07756	3.0
155.08533	16.9
156.09302	3.1
156.78256	1.2
157.10104	24.8
159.08054	3.0
159.11665	23.7
161.09645	3.6
161.13283	10.0
162.70728	1.2
163.11169	6.2
163.14806	2.5
165.06956	2.2
165.12717	2.1
167.08545	6.1
168.09303	2.8
169.10121	22.4
170.10709	1.5
171.08116	1.7
171.10283	1.7
171.11661	23.3
171.13010	1.6
173.09630	2.8
173.11812	2.9
173.13225	13.6
175.14841	4.0
177.12749	2.4
179.08485	3.0
181.10062	9.0
182.10844	2.1
183.11659	21.2
185.09596	1.6
185.13260	14.3
187.11359	1.4
187.13257	2.7
187.14828	4.8
189.11232	6.1
189.16418	1.7
191.14293	1.4
193.10190	3.5
195.11674	12.5
195.13463	1.8
197.13220	15.7
198.13950	1.4
199.11250	2.5
199.14809	11.9
201.12750	2.8
201.16359	3.8
203.14235	1.6
207.11755	4.3
208.12469	1.8
209.13234	9.8
211.14793	10.0
213.14626	1.7
213.16389	6.0
215.14293	1.6
215.17960	2.6
219.11745	1.8
221.13261	5.5
223.14812	8.2
225.16356	6.9
227.12776	5.2
227.17970	4.1
229.16089	1.6
229.19434	1.4
231.21060	1.8
235.14824	2.8
237.16380	4.5
239.17979	6.5
241.19594	6.6
243.15984	4.8
247.14807	1.8
249.16502	2.6
251.17976	1.8
253.19608	2.3
255.21039	1.6
257.19067	4.9
259.20435	7.8
263.17932	2.6
265.19437	2.1
267.21262	2.0
271.20450	1.7
273.18573	3.5
275.20053	13.0
277.21771	2.9
283.20477	2.3
285.22202	1.5
295.20605	2.1
297.22229	2.4
311.20148	1.9
313.21725	2.3
315.23218	2.9
323.23776	1.5
325.25568	1.8
327.23175	1.4
333.24234	4.9
347.22192	1.5
349.23975	5.8
353.24677	2.3
363.27039	1.7
365.24512	2.2
365.28436	11.0
367.26135	1.8
379.29944	4.3
381.31622	4.3
383.29373	4.3
389.27094	1.7
391.29761	1.4
395.29187	1.5
403.29968	2.6
421.31186	4.1
439.32199	3.3
445.29779	6.1
463.31149	1.4
495.34634	2.5
499.34445	2.3
513.35748	12.4
515.38757	9.9
527.37292	2.6
533.39758	13.4
537.35864	1.5
539.38263	1.3
551.40826	9.8
555.36566	2.2
567.40466	1.5
589.42249	3.0
607.33661	2.7
607.43475	53.2
608.43689	2.8
625.44543	100.0
626.44965	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.5
53.03941	3.6
55.01865	5.1
55.05505	19.4
55.05757	1.0
57.03396	1.8
57.03646	0.5
57.07025	1.3
59.04971	0.8
59.57420	0.4
65.03938	3.0
67.05497	40.5
67.63766	0.4
69.03423	5.8
69.07061	21.2
69.07419	1.0
71.04987	2.7
71.21741	1.6
75.05705	0.4
77.03898	0.5
79.05484	39.6
81.03415	3.5
81.07047	48.8
82.07336	0.9
83.04971	5.4
83.08608	8.4
85.02874	2.2
85.06498	1.6
90.78017	0.4
91.05469	25.0
93.07031	36.6
95.01295	0.5
95.04411	0.6
95.04958	11.1
95.08592	21.8
97.02874	6.3
97.06526	3.9
97.09570	0.6
97.10149	9.1
99.04439	0.9
99.08041	1.0
102.40375	0.5
103.05413	0.8
105.04447	0.6
105.07021	18.8
107.04311	0.5
107.04931	5.2
107.08581	19.9
109.06499	12.4
109.10142	11.1
111.04419	3.4
111.08082	2.4
115.05407	1.6
117.06285	0.7
117.07008	8.6
119.04911	0.9
119.07767	0.9
119.08566	16.4
121.06492	3.4
121.10130	14.6
123.08049	4.1
123.11644	1.6
125.09612	6.6
128.06161	0.8
129.06984	4.6
130.07706	1.3
131.08553	11.5
133.06406	1.6
133.10117	9.8
135.08044	3.3
135.10757	0.6
135.11681	7.3
137.09579	3.2
139.11105	0.7
141.06906	0.7
142.07712	0.7
143.08553	5.5
144.09172	0.5
145.06396	1.1
145.08995	0.5
145.10107	9.9
147.08028	6.1
147.11665	5.1
149.09584	3.3
149.13226	4.2
151.11124	0.9
153.12703	0.8
155.08492	2.1
157.10092	3.0
159.08028	1.3
159.11655	5.7
161.09605	2.9
161.13254	2.5
163.11156	2.4
163.14738	1.5
165.09129	2.2
165.12735	0.8
167.08553	0.7
169.10124	2.6
171.10269	0.8
171.11603	2.9
173.09576	1.3
173.11758	1.0
173.13234	2.9
175.11143	2.3
175.14740	1.2
177.12714	1.6
179.10571	0.5
181.10028	0.8
181.12169	0.6
183.10100	0.5
183.11609	1.2
185.09589	0.6
185.13200	2.3
187.11081	0.5
187.14749	1.3
189.11198	3.5
191.10588	0.9
193.12175	0.6
195.11694	1.0
195.13708	1.1
197.13214	0.8
199.11186	0.8
199.14798	1.1
201.16370	0.7
205.12212	1.1
209.13353	0.8
217.15948	0.6
217.19473	0.5
223.13248	13.2
225.16299	0.9
227.12798	2.0
227.17982	0.8
231.17319	0.6
237.16309	0.9
241.19658	0.6
243.20973	0.7
245.18947	1.9
249.14825	1.7
255.17413	2.3
259.20551	1.2
261.22076	2.2
263.20044	1.5
273.18472	19.0
273.21506	1.0
274.18823	0.6
275.19913	2.2
277.21432	0.8
290.48138	0.5
291.19504	100.0
292.19949	2.7
293.20999	0.5
309.20547	1.1
317.24570	1.0
329.20782	0.6
333.24380	1.0
335.25928	4.8
347.22095	2.8
349.23639	0.6
365.23282	1.9
365.28366	0.8
381.31436	0.6
489.35623	0.6
515.38171	0.8
527.37195	1.1
533.40216	1.1
551.40515	1.1
569.41437	0.6
607.43573	4.1
625.44562	70.1
626.45172	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01864	7.8
55.05505	22.7
57.03427	4.8
57.07059	3.8
64.64753	1.3
65.03925	3.8
66.00824	1.1
67.05498	64.1
69.03416	6.3
69.07061	39.1
69.56187	2.8
69.56593	9.2
71.04985	2.7
79.05483	50.2
81.03412	4.5
81.07046	55.2
83.04957	6.5
83.08611	8.7
84.70197	1.2
91.05470	36.5
93.07033	47.2
95.04957	24.0
95.08598	31.3
97.02887	5.0
97.06513	6.1
97.10151	10.2
99.08128	1.4
103.05473	1.6
104.28739	1.2
105.07024	27.2
106.17980	1.1
107.04946	9.5
107.08593	26.4
109.06511	11.5
109.10135	15.3
111.08077	1.5
115.05458	2.7
117.07003	11.9
119.08568	20.9
121.06490	4.6
121.10113	18.0
123.08060	4.9
123.11726	4.0
125.09599	6.3
128.06235	1.7
129.07005	5.5
130.10974	1.2
131.08556	17.2
133.06506	3.4
133.10101	9.9
135.08081	5.2
135.11674	9.9
137.09569	1.7
141.06981	1.2
143.08574	5.4
144.09206	1.2
145.06494	2.0
145.10112	14.4
147.08069	5.4
147.11713	6.2
149.09616	3.8
149.13245	7.8
150.71375	1.2
155.08618	2.6
157.10153	5.0
159.11685	7.2
161.09663	2.3
161.13300	3.6
163.11096	3.2
167.08514	2.2
169.10135	4.4
171.10295	1.6
171.11740	3.6
173.13272	4.1
175.11232	2.3
175.14888	1.7
177.12720	3.6
178.10066	1.2
179.14214	1.6
179.42876	1.2
181.10127	3.3
183.11670	2.9
185.13266	3.0
187.14806	1.8
189.11171	2.7
195.11812	1.5
195.13829	1.9
197.13293	2.3
200.44919	1.3
205.12303	1.6
211.14835	1.9
213.16423	1.7
217.16121	1.5
218.05507	1.3
223.13223	11.4
225.16420	1.4
227.12730	1.7
227.17935	2.9
245.19064	2.4
249.14812	2.1
251.12866	1.3
251.17854	1.3
259.20715	2.1
261.22211	4.0
273.18481	27.8
275.20087	3.6
291.19513	100.0
292.19937	3.5
317.24835	1.9
333.24298	1.9
335.25775	5.3
347.22232	7.2
349.23889	1.3
365.23236	3.0
480.54373	1.5
525.86493	1.5
533.39679	1.4
551.41107	1.4
607.43616	8.9
625.27948	5.1
625.44568	81.2
626.27753	2.1
626.44757	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18814	1.4
51.58639	1.4
53.03935	5.2
55.01860	12.7
55.05501	35.3
57.03423	9.2
57.07059	3.6
61.13011	1.3
64.88569	1.3
65.03926	3.1
67.05493	69.3
69.03410	1.8
69.07054	31.7
70.30855	7.2
70.42277	1.5
71.04980	6.3
71.84447	1.6
79.05480	46.6
79.05927	2.9
81.03400	3.6
81.07042	66.7
81.11785	1.5
82.07362	2.2
83.04972	7.4
83.08607	20.9
85.06532	4.9
85.64171	1.4
91.05463	44.7
93.07031	49.0
94.78851	1.5
95.04956	8.1
95.08585	50.5
97.06506	15.1
97.10140	13.6
99.08076	2.3
102.93703	1.4
105.04520	2.2
105.07015	53.0
105.07723	2.8
107.04941	5.6
107.08576	35.1
109.06502	7.8
109.10125	24.4
111.08104	3.6
115.05436	2.3
117.06989	24.7
119.08564	39.9
121.06499	4.3
121.10131	20.5
123.08100	7.1
123.11671	9.2
125.09628	7.6
128.06218	5.1
129.06972	17.6
130.07700	2.8
131.08548	28.5
132.74232	1.5
133.06468	2.5
133.10103	26.0
135.08040	3.4
135.11681	12.9
135.97763	1.5
137.09644	1.9
139.11154	2.8
141.06934	8.0
142.07758	5.7
143.08534	26.1
145.06482	3.2
145.10085	32.6
145.11206	1.9
147.08032	5.0
147.11684	18.6
149.09624	6.3
149.13268	5.0
151.11156	1.8
153.06975	3.0
153.09070	1.9
154.07742	2.7
155.08524	15.8
156.09328	2.0
157.10123	25.0
159.08017	1.7
159.11671	21.5
161.09607	3.5
161.13226	9.5
163.11224	3.7
163.14767	3.3
165.07121	1.9
165.12709	2.7
166.07809	1.9
167.08531	8.4
168.09319	2.8
169.10081	19.7
171.10326	3.0
171.11671	22.2
173.09624	2.2
173.11784	3.0
173.13197	12.7
175.11240	2.7
175.14845	5.9
179.08539	3.5
181.10071	10.7
182.10835	2.1
183.11650	19.8
185.09659	2.3
185.13217	14.9
187.11314	2.2
187.14833	6.1
189.11220	3.7
193.10120	3.6
195.11688	10.5
195.13504	1.4
197.13248	12.6
199.11150	1.6
199.14801	8.5
201.12767	1.7
201.16414	3.5
205.10152	2.1
207.11720	6.4
209.13213	8.9
211.14796	8.2
213.12820	1.8
213.16422	4.1
215.14096	1.7
215.17876	2.3
221.13351	3.3
221.15489	2.1
223.14857	7.7
225.12886	1.8
225.16367	5.9
227.12778	3.9
227.18050	2.9
229.14293	2.2
229.19458	2.7
235.14836	2.5
237.16313	3.5
239.17967	4.5
241.19588	5.8
245.18813	2.1
249.16454	2.4
251.17992	4.1
253.19495	2.1
257.19052	5.6
259.20523	9.1
265.19592	1.7
267.21030	2.3
267.44171	1.6
271.20526	1.8
273.18484	5.0
275.20038	11.5
277.21771	2.7
283.20313	2.1
289.21451	1.7
291.19672	2.9
297.22055	3.1
299.20050	2.8
299.66324	1.8
309.21982	2.5
311.23767	1.8
315.23254	4.2
331.22556	1.5
333.24213	6.9
335.23740	2.5
337.25485	2.1
349.23975	5.5
365.24197	1.9
365.28455	5.1
377.28409	2.2
381.31705	3.6
403.29651	1.8
407.28870	1.9
417.31152	1.9
421.30978	5.0
435.32880	1.8
437.34344	2.3
439.31860	2.3
495.34708	2.5
497.37424	1.9
499.33896	1.8
501.35794	1.7
513.35724	20.6
515.38763	11.0
527.37488	5.0
533.39935	16.1
543.37268	1.6
551.40869	9.6
555.36633	1.8
567.40021	2.2
589.42737	3.3
597.44904	1.9
607.43451	53.0
608.43610	3.4
625.44501	100.0
626.44940	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.9
53.03934	4.2
55.01866	5.5
55.05502	24.9
57.03386	2.4
57.07034	1.1
65.03928	3.1
67.05493	48.5
69.03417	9.5
69.07057	27.7
71.04936	2.1
71.08592	0.8
73.83884	0.6
75.63212	0.5
77.03890	1.3
79.05482	45.2
81.03417	3.7
81.07044	40.0
81.07516	0.9
83.04960	4.9
83.08607	9.1
83.53755	0.7
85.06487	1.4
91.05466	30.1
93.07032	44.0
95.04956	10.2
95.08594	27.0
97.02880	11.5
97.06502	3.7
97.10152	10.1
98.21461	2.0
99.08020	1.2
102.03124	0.6
103.05425	0.9
105.04467	1.4
105.07015	18.8
107.04935	5.4
107.08576	23.6
109.06512	3.5
109.10143	13.1
109.85390	0.6
111.08054	1.9
113.09606	0.6
115.05389	1.7
116.06224	0.9
117.07009	11.0
119.04868	1.0
119.07761	1.1
119.08561	16.6
121.06421	2.2
121.10125	15.4
123.08041	3.0
123.11627	2.0
125.09605	7.2
128.06169	0.9
129.06981	5.6
130.07718	0.9
131.08551	11.7
133.06435	2.3
133.10110	10.5
134.07271	0.8
135.07983	2.6
135.11678	8.9
137.09587	3.2
139.11206	0.6
141.06902	1.4
142.07722	1.1
143.08516	5.1
145.09172	0.7
145.10123	9.3
147.08023	4.3
147.11652	5.6
149.09523	2.2
149.13272	4.8
151.11134	0.9
153.06927	0.7
153.09010	1.3
155.08530	1.1
157.10104	3.6
159.08025	0.7
159.11687	6.8
161.09552	2.5
161.13258	2.9
163.11115	1.6
163.14767	1.2
165.09035	2.3
167.08505	0.8
169.10039	2.3
171.10233	0.9
171.11629	2.4
173.11790	0.9
173.13208	3.1
175.11110	2.0
175.14767	1.2
177.12700	1.6
181.10019	1.0
183.11609	1.2
185.13191	2.1
187.14807	1.7
189.11203	3.5
189.12662	0.8
189.16293	0.8
195.11694	0.7
195.13748	1.5
197.13193	1.4
199.14816	0.9
205.12198	2.4
213.16539	0.8
223.13249	20.9
227.12679	1.7
243.21109	0.7
245.18930	1.0
249.14812	1.5
255.17404	1.5
261.22052	3.0
263.20203	0.8
273.15689	1.0
273.18454	12.9
275.19806	0.7
291.19495	100.0
292.19797	3.1
309.20471	1.0
317.24509	1.1
335.25916	1.7
347.22290	1.4
365.23148	1.3
459.21902	1.4
515.38806	0.7
527.37390	0.9
533.39911	0.9
551.40863	1.1
592.26770	1.7
607.43286	3.6
625.44543	66.9
626.44867	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.1
53.03923	3.9
55.01870	9.8
55.05502	27.5
57.03419	5.3
57.07063	2.5
65.03934	3.3
67.05495	62.6
67.84373	1.6
69.03420	1.5
69.07065	32.3
69.47130	16.8
71.04980	5.3
72.68144	1.5
77.03874	2.0
79.05482	51.8
81.03397	3.2
81.07045	86.0
82.07391	2.3
83.04979	6.0
83.08602	15.8
85.06528	3.8
91.05466	50.8
93.07032	42.6
94.07340	2.0
95.04948	12.2
95.07999	3.0
95.08595	43.2
97.06510	14.1
97.10165	5.0
99.08060	2.4
103.05477	1.4
105.07016	57.6
107.04930	3.9
107.08579	27.3
109.06509	16.9
109.10136	18.1
111.08096	4.2
115.05459	1.7
117.07005	22.0
119.08568	44.5
120.08911	2.8
121.06551	3.6
121.10110	18.9
123.08043	7.4
123.11704	6.9
123.59454	1.5
125.09641	4.1
128.06224	3.1
129.06992	13.0
131.08543	30.4
133.06491	1.7
133.10120	28.4
135.08043	5.0
135.11685	13.6
137.09624	3.9
137.13234	2.1
138.26183	1.6
139.11148	2.1
141.06984	5.4
142.07785	3.7
143.08531	17.6
145.10109	28.7
147.08032	3.0
147.11656	27.8
149.09613	4.0
149.13216	7.6
151.11218	2.0
155.08542	9.0
157.10097	15.1
159.08046	3.0
159.11684	23.1
161.09616	3.1
161.13242	10.5
163.11171	6.8
163.14828	2.7
165.07022	1.7
165.12767	6.5
167.08606	4.5
169.10114	11.3
171.11684	12.7
173.09636	2.6
173.13264	15.9
175.11212	3.6
175.14883	3.9
177.12743	4.4
179.14363	1.8
181.10133	5.9
183.11694	11.1
185.09749	2.5
185.13235	11.6
187.11136	3.3
187.14819	5.9
189.12712	2.5
193.10013	2.8
195.11722	7.1
197.13194	8.4
199.11197	1.9
199.14807	8.1
201.12749	3.0
201.16331	2.6
203.14246	1.8
207.11794	2.9
209.13249	5.2
210.08913	1.9
211.14812	6.2
213.12830	3.4
213.16426	4.8
215.17873	2.3
219.17459	2.0
221.13290	2.9
223.14810	4.6
225.12769	2.5
225.16388	2.7
227.14224	2.9
229.19597	2.8
237.16414	2.2
239.17995	2.1
241.19516	6.4
247.20522	3.0
249.16389	2.5
257.18982	8.1
259.17346	1.8
259.20517	13.5
267.15839	3.8
273.18689	2.7
275.20056	24.9
276.20529	3.5
277.21387	4.4
293.21182	2.8
315.23257	7.5
325.21478	1.8
331.22806	2.4
333.24271	6.9
341.28433	2.7
349.23306	7.8
351.25769	1.6
367.26105	2.4
421.31030	2.2
437.34232	2.1
497.37057	3.8
499.34326	2.4
513.35638	2.0
515.38965	8.4
533.39679	17.3
551.41028	19.6
555.37189	1.8
569.42163	2.4
589.41974	1.9
607.43427	49.6
625.44482	100.0
626.44855	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	625.445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26656	1.7
51.74010	1.6
53.03933	6.2
54.91471	1.7
55.01599	1.9
55.01861	31.1
55.05504	33.5
57.03434	9.4
57.07068	3.3
62.09588	1.7
65.03937	5.1
67.05495	68.1
69.07059	72.0
70.13001	7.4
70.13426	2.7
71.04978	3.5
71.08611	2.3
79.05482	51.1
81.03411	6.1
81.07043	73.0
83.04985	8.5
83.07798	1.6
83.08605	16.1
85.06528	2.9
91.05466	66.9
93.07034	50.9
93.40891	1.6
95.01308	3.9
95.04962	11.2
95.08588	46.5
97.06519	37.3
97.10146	5.9
99.08036	3.2
103.05482	2.0
105.07010	61.5
107.04929	13.9
107.08577	32.3
109.06498	7.7
109.10150	18.4
111.08077	5.3
115.05423	3.0
117.06985	26.3
119.08565	44.6
121.06489	4.7
121.10131	20.2
122.17065	1.7
123.08060	8.0
123.11708	7.5
125.09625	5.5
128.06174	3.4
129.06975	20.6
130.07777	3.0
131.08551	40.6
131.09453	2.8
133.06471	3.3
133.10109	38.5
133.11024	3.1
135.08012	3.1
135.11665	13.7
137.09622	5.3
141.06940	9.3
142.07793	5.0
143.08536	27.5
144.09344	2.5
144.60112	1.9
145.06416	2.7
145.10107	37.5
147.08075	2.6
147.11655	26.6
149.09583	10.5
149.13275	6.5
150.79845	1.7
151.11185	4.9
155.08517	14.7
157.10107	26.2
159.08005	2.8
159.11670	29.7
159.29039	1.8
161.09627	2.6
161.13258	17.4
163.11186	4.4
163.14777	2.8
165.12761	3.0
167.08580	6.0
169.10117	16.6
171.08125	1.9
171.10228	3.9
171.11658	23.2
171.53314	1.8
173.09641	2.6
173.13243	21.3
173.14613	2.5
175.11172	3.5
175.14760	9.1
177.12772	4.0
179.08528	4.0
179.14268	4.4
180.20987	1.9
181.10045	11.9
183.11647	18.7
185.13263	19.4
187.11130	3.8
187.14836	6.3
193.10052	5.1
194.10956	2.1
195.11690	8.6
197.13220	13.1
199.11247	2.2
199.14821	9.0
201.12675	2.8
201.16335	3.6
207.11676	5.1
209.13179	8.7
211.14815	9.0
213.12767	2.8
213.16420	4.3
215.14397	2.8
215.17839	2.4
221.13300	3.4
223.14845	6.5
225.16409	3.6
227.18073	3.0
229.19518	2.7
231.21077	1.9
237.16447	2.8
239.18037	5.3
241.19551	15.6
245.19203	2.5
251.18045	3.8
251.29482	2.3
253.19565	2.7
255.17596	2.0
257.18964	8.1
259.20563	18.5
263.20044	2.6
273.18539	5.3
275.20023	37.0
277.21558	1.9
279.15894	2.3
283.20255	2.2
285.22147	2.2
293.21170	3.0
297.22168	3.0
311.23544	2.5
315.23151	5.4
323.23358	1.8
325.25482	2.0
331.22598	2.7
333.24207	13.0
349.23737	19.8
353.24768	2.3
355.26099	2.0
367.26160	2.4
417.31433	2.1
419.33380	4.0
421.30798	2.6
423.32162	2.3
435.32767	6.2
437.34320	15.0
445.30783	2.2
453.33841	2.5
455.35730	2.2
479.20493	2.8
495.34528	1.9
501.35535	2.7
505.40176	3.4
509.36322	3.3
511.37979	11.3
513.35718	9.5
514.27106	1.9
515.38831	6.7
527.37408	7.2
529.38757	7.1
533.40002	14.5
537.35590	2.4
551.41046	8.2
555.36310	5.3
556.37482	4.3
565.24359	3.2
589.42273	2.4
597.45197	3.3
607.43488	61.5
608.43146	2.6
625.28552	10.6
625.44519	100.0
626.44678	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	625.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
51.91016	1.2
53.03934	4.6
53.86229	1.0
54.33840	1.2
55.01868	11.6
55.05504	31.8
57.03434	6.7
57.07065	4.0
59.04992	2.2
60.28146	1.2
65.03936	3.7
67.05495	54.0
69.03426	2.9
69.07059	26.6
70.02370	6.3
71.04978	4.3
71.08612	1.9
79.05479	33.6
81.03426	2.7
81.07043	58.1
83.04965	4.5
83.08607	15.4
85.06539	3.6
86.05690	1.2
91.05463	35.7
93.06430	2.2
93.07027	36.6
95.04961	5.0
95.08588	35.0
97.06518	10.5
97.10161	11.6
99.08086	1.7
103.05482	1.5
105.07014	30.2
107.04957	5.1
107.08583	24.7
109.06520	5.1
109.10140	20.4
111.08081	4.5
115.05425	4.2
117.07000	21.0
118.74028	1.2
119.07735	2.2
119.08561	27.7
121.10130	14.7
122.08407	1.2
123.08065	3.8
123.11688	9.8
125.09617	10.3
128.06218	4.5
129.06973	20.1
130.07748	2.4
131.08557	24.7
133.06374	1.2
133.10104	21.8
133.11021	2.1
135.08038	3.7
135.11687	6.8
137.09546	2.2
141.06935	7.4
142.07765	5.1
143.08537	24.5
145.06439	1.8
145.10112	23.2
147.08060	2.0
147.11647	14.5
149.09628	5.1
149.13263	4.4
151.11211	1.7
152.06212	2.1
153.06950	2.1
154.07814	2.5
154.54662	1.2
155.08522	14.1
156.09331	3.6
157.10112	24.8
158.10875	1.5
159.08025	1.6
159.11687	18.6
161.09651	1.6
161.13184	7.4
163.11197	1.5
165.06979	2.1
166.07747	1.7
167.08562	8.4
168.09296	2.4
169.10106	20.1
170.10878	1.7
171.10303	1.2
171.11678	21.1
173.09737	1.2
173.11792	2.5
173.13290	10.2
175.11276	2.0
175.14847	3.8
179.08585	3.2
179.14331	1.6
180.09325	1.2
181.10069	10.7
183.11688	18.1
184.12280	1.2
185.13260	18.1
187.11066	1.3
187.13301	2.7
187.14851	5.0
189.11273	6.0
189.16414	1.6
193.10086	3.3
194.10886	1.4
195.11635	8.2
197.13220	16.4
199.11339	2.0
199.14790	9.1
201.12817	1.9
201.16351	4.2
207.11702	4.8
207.13530	1.5
209.13182	8.2
211.14766	10.5
213.12837	2.0
213.16364	6.3
215.14374	1.5
215.17860	1.7
221.13264	2.8
223.14821	5.0
225.16339	4.5
227.12637	7.4
227.18030	4.8
229.19711	1.6
235.14809	2.8
237.16391	4.8
239.14200	1.5
239.18005	4.6
241.19589	5.2
243.15994	4.7
249.16383	2.6
251.18008	3.1
253.15622	1.3
253.19548	2.6
257.19186	3.5
259.20642	5.7
263.17905	2.4
265.19476	2.5
267.21109	2.1
273.18661	2.3
275.20114	9.5
277.21658	1.5
279.21255	2.1
288.14261	1.5
291.19611	1.7
297.22174	2.0
311.23795	2.5
313.21545	1.8
327.22989	2.4
333.24219	3.9
339.23273	2.1
339.26871	1.7
349.23901	5.0
353.24829	1.8
365.28439	9.0
379.29883	2.8
381.31494	6.3
383.29660	2.9
385.46252	1.5
391.30057	1.8
421.30927	6.3
439.31998	4.7
463.32306	1.4
495.35220	1.9
497.37906	1.4
513.35663	17.9
514.36090	1.7
515.38733	6.9
533.39984	11.4
551.40686	6.3
555.36639	3.2
589.42474	3.4
607.43463	43.1
608.43982	3.0
625.44543	100.0
626.44849	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01863	42.9
55.05505	35.8
57.03432	12.8
57.07059	4.4
59.47444	1.4
61.77872	1.4
65.03925	3.2
67.05493	68.6
69.03423	2.5
69.07058	77.9
69.44045	11.6
69.44453	2.8
69.64188	1.2
70.85989	1.3
71.04977	4.5
77.03912	1.5
79.05483	55.2
81.03411	7.5
81.07042	81.7
83.04958	9.7
83.08600	16.6
85.06547	3.4
91.05464	64.4
91.06041	3.1
93.07031	58.6
95.01316	5.5
95.04959	13.8
95.08591	51.4
97.05881	2.3
97.06516	45.3
97.10148	6.8
99.08078	4.1
103.05450	3.2
105.07017	67.3
107.04939	17.2
107.08573	29.9
109.06508	10.3
109.10133	18.6
111.08071	4.3
115.05472	4.4
117.07005	28.0
119.08559	55.7
121.06509	4.4
121.10119	21.1
123.04466	1.9
123.08056	7.0
123.11699	5.0
125.09611	8.0
127.97622	1.4
128.06204	5.7
129.06993	21.0
130.07784	1.9
131.08546	48.4
133.06532	2.4
133.10106	38.9
135.08041	5.5
135.11656	13.9
137.09595	3.7
137.13281	1.5
139.11153	2.8
141.07004	9.8
142.07774	4.5
143.08540	31.6
143.47870	1.2
144.09308	2.6
145.06476	3.3
145.10103	42.4
147.08035	4.1
147.11668	30.0
149.09586	8.8
149.13234	7.9
151.11197	2.7
154.07780	3.7
155.08517	17.5
156.09351	4.3
157.10106	25.4
159.07996	3.4
159.11671	31.6
161.09576	2.9
161.13235	19.4
163.11165	7.3
163.14885	3.6
165.06929	2.4
165.12733	3.1
167.08582	7.4
168.09341	2.3
169.10118	23.1
170.10855	1.6
171.08025	2.5
171.10225	3.1
171.11647	31.2
173.13220	21.4
175.11162	4.0
175.14799	10.3
177.12772	4.0
177.46880	1.4
179.08527	2.9
179.14259	6.9
181.10101	12.0
183.11685	21.2
185.09608	2.3
185.13245	20.6
187.11176	4.5
187.14813	10.2
189.12788	2.1
189.16393	1.7
193.10141	5.1
194.10857	1.5
195.11691	11.5
196.12331	2.0
197.09698	2.1
197.13255	13.5
199.11221	2.8
199.14799	11.6
201.12640	1.7
201.16415	4.1
207.11655	6.1
209.13216	10.1
211.14825	9.4
213.16364	6.8
215.14340	2.3
215.17990	4.3
217.19411	1.4
219.17467	2.3
221.13208	5.8
223.14821	7.1
225.12714	1.6
225.16408	4.0
227.14487	1.5
227.17935	3.3
229.19565	1.8
231.17387	2.5
231.21033	2.1
235.14853	4.2
237.16376	5.3
239.14359	2.1
239.17958	5.1
241.19530	16.2
245.19063	1.4
247.14897	2.0
247.20561	1.5
249.16434	2.3
251.17996	2.7
253.19536	1.9
257.19037	9.0
259.20544	24.1
265.19400	1.9
269.18866	1.6
271.17075	2.2
273.18552	4.9
275.20044	55.5
277.21774	3.2
279.15991	2.9
285.22198	2.0
286.41147	1.4
291.19617	4.2
293.21173	5.6
297.22107	3.2
299.23444	2.0
307.20663	1.8
309.21936	1.6
311.23688	2.4
313.21631	2.6
315.23135	5.6
321.22168	2.4
323.23688	2.0
325.21649	1.9
325.25241	3.5
327.23227	2.3
333.24200	22.1
335.23557	1.5
337.25269	1.7
339.26913	2.8
341.24631	2.4
347.22275	2.3
349.23682	34.2
351.26062	1.5
353.24734	1.7
355.26358	2.7
365.24576	1.5
367.26041	1.7
375.26974	2.4
381.27832	2.1
391.29971	2.2
409.30551	2.2
417.31210	1.6
419.33218	3.6
421.30972	2.6
433.30417	2.4
435.32327	7.4
437.34219	22.2
453.34018	2.0
455.35245	4.1
464.32535	1.4
473.33197	2.1
483.34473	1.5
493.36862	4.2
499.33887	2.4
501.35498	3.1
505.40384	2.1
509.36383	3.2
511.37741	12.9
513.35895	8.8
515.38605	9.9
527.37158	5.6
529.38599	6.9
533.39783	13.2
538.36646	1.8
551.41058	9.7
555.36865	4.0
556.37622	4.4
597.45258	4.5
607.43512	66.4
608.44043	2.5
625.44525	100.0
626.44714	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82844	1.2
51.02359	1.5
53.03933	7.6
55.01858	11.9
55.05503	35.7
57.03434	7.0
57.07070	3.3
57.24278	1.3
65.03924	3.0
65.64849	1.3
67.05494	68.2
69.03423	1.7
69.07056	32.9
70.58221	4.2
71.04956	6.2
71.08605	2.7
77.03874	1.9
79.05479	48.7
81.03383	2.3
81.07043	92.0
83.04977	6.3
83.08157	2.0
83.08613	20.4
85.06530	6.0
91.05465	60.4
93.07030	50.1
95.04945	13.4
95.08589	48.2
97.06516	11.4
97.10163	6.2
99.08073	2.2
99.94764	1.2
103.05435	2.2
105.04547	1.4
105.07010	65.7
107.04931	6.8
107.07906	2.6
107.08580	31.5
109.06492	16.7
109.10132	18.2
111.08076	5.9
113.98752	1.2
115.05405	2.3
117.06999	24.6
117.76810	1.3
119.08560	48.7
121.06512	4.2
121.10118	22.4
122.38560	1.3
123.08050	5.0
123.11691	12.2
125.09618	3.9
128.06230	3.3
129.06982	15.8
131.08546	33.4
133.06491	2.5
133.10107	32.1
135.08041	4.1
135.11655	12.0
137.09595	4.3
137.13264	1.7
139.11122	2.5
141.06976	6.7
142.07751	3.5
143.08521	17.2
145.06465	3.2
145.10095	31.6
147.07957	3.5
147.11659	34.0
149.09583	8.1
149.13229	8.2
151.11230	2.2
154.07884	1.8
155.08546	8.6
156.09262	2.0
157.10089	17.1
159.08080	3.6
159.11661	23.8
161.09618	3.9
161.13246	11.1
163.11162	6.5
163.14796	4.7
165.06955	2.5
165.12737	6.7
167.08551	2.9
168.01157	1.3
169.10097	8.9
171.08055	1.8
171.11674	17.2
173.09644	2.3
173.13239	16.9
175.11201	4.1
175.14740	6.7
177.12781	3.1
179.08496	2.1
179.14366	1.5
181.10081	7.4
182.10777	1.7
183.11700	11.1
185.09633	1.8
185.13184	12.6
187.11159	3.9
187.14822	5.6
189.12668	3.1
189.16287	1.9
191.14319	2.3
193.10063	2.7
195.11668	9.0
197.13223	8.8
199.11092	1.5
199.14786	7.7
201.12805	2.2
201.16364	2.8
207.11723	1.3
209.13260	5.3
211.14795	5.6
213.12726	1.9
213.16356	5.4
215.17949	1.9
217.15944	2.1
219.17499	1.5
221.13293	2.9
223.14761	3.8
225.16356	2.2
227.17834	1.8
229.19534	3.0
231.21165	2.1
235.14767	1.9
237.16293	2.9
239.17950	4.9
241.19543	10.6
247.20514	3.1
249.16396	1.8
251.18056	2.3
257.19083	5.9
259.20523	17.5
261.21640	1.5
267.15964	5.5
269.19131	1.6
273.18439	3.5
275.20001	25.4
277.21680	1.9
291.19867	2.0
293.21072	4.4
297.22079	1.8
311.23480	1.6
315.23196	7.4
323.23795	1.5
325.21912	1.5
333.24268	7.4
341.28497	3.5
349.23761	8.3
353.24536	2.7
367.25064	1.7
407.29916	2.0
421.31030	2.0
423.32422	2.4
427.87646	1.5
437.34442	1.6
487.39151	1.6
495.34592	1.8
497.36569	3.6
501.35736	2.0
505.40320	1.9
515.38831	8.0
523.41321	1.6
527.36884	3.5
533.39868	20.1
539.37720	1.7
551.40869	16.0
553.38995	1.8
555.36041	1.6
569.41852	2.9
589.41962	2.1
597.45056	2.6
607.43488	49.1
608.43713	3.7
625.44531	100.0
626.44757	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	625.445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01865	8.0
55.05501	58.7
57.03426	9.0
57.07051	4.0
57.10613	1.2
59.04984	1.3
60.73410	0.9
65.03926	3.8
66.53568	1.0
67.05492	56.5
69.03404	2.2
69.07058	31.4
70.01215	3.0
70.01650	4.1
71.04981	5.7
71.08627	2.4
78.70287	1.1
79.05477	48.8
81.03403	3.7
81.07041	58.1
83.04974	6.0
83.08601	40.8
84.55715	1.0
85.06535	4.5
87.08037	1.0
89.01357	0.9
91.05463	52.9
92.05758	1.0
93.07024	43.9
95.04948	18.4
95.08586	39.4
97.06510	9.4
97.10148	9.9
98.20781	1.7
99.08085	2.6
103.05473	2.1
103.40510	1.0
105.03362	1.1
105.04504	1.8
105.07013	49.0
105.07726	2.4
107.04935	9.3
107.08580	30.8
109.06512	6.6
109.10137	21.1
111.04430	1.9
111.08063	6.7
113.09622	2.2
115.05449	2.9
117.06995	22.3
119.08560	35.4
120.08995	1.1
121.06490	3.0
121.10122	17.7
123.08040	5.2
123.11655	7.0
125.09622	8.0
128.06171	5.2
129.06981	20.9
131.08543	32.6
133.06445	1.5
133.10107	28.0
135.08038	5.3
135.11687	11.8
137.09592	3.0
139.11166	2.5
141.06989	7.0
142.07765	3.3
143.08531	23.2
144.09348	1.6
145.06485	2.9
145.10098	31.9
147.08031	3.7
147.11664	19.4
149.09601	6.8
149.13271	4.1
151.11128	1.6
153.06979	2.6
154.07802	1.1
155.08524	16.9
156.09306	2.4
157.10091	24.1
159.08032	2.2
159.11664	21.2
161.09621	3.5
161.13223	9.2
163.11179	8.8
163.14867	2.4
165.06973	1.2
165.12762	1.9
167.08533	6.0
168.09315	2.5
169.10106	16.0
170.10739	1.3
171.11650	16.7
173.09613	2.5
173.11829	2.4
173.13199	11.2
175.11128	2.3
175.14793	6.6
177.12715	2.2
179.08588	2.9
179.14252	1.1
181.10118	8.9
181.11659	1.2
181.12282	1.3
182.10870	2.2
183.11667	14.6
185.09601	1.2
185.11700	2.0
185.13211	12.3
187.11214	2.8
187.14815	6.7
189.11247	3.4
189.16367	1.9
191.14221	1.6
193.10158	4.1
195.11652	9.8
197.13240	13.0
198.13824	1.6
199.14807	8.6
201.16400	3.1
205.10170	1.3
205.12234	2.1
207.11765	3.1
209.13264	8.4
211.14825	6.3
213.12810	1.2
213.16405	4.1
215.17892	2.2
217.15941	1.4
219.11678	1.5
221.13290	4.2
221.15289	1.4
223.13043	2.2
223.14856	4.9
225.16399	4.7
227.12616	2.5
227.17990	1.9
229.19531	1.3
233.13226	1.7
235.14835	3.6
237.16451	3.5
239.17996	4.9
241.19487	9.1
243.15811	1.9
247.14763	1.3
251.18008	2.1
253.19458	1.3
255.17467	1.9
257.18997	4.4
259.20517	16.2
261.18796	1.0
261.22144	1.6
263.17960	1.9
265.19284	1.1
267.20969	1.7
269.19031	1.5
271.16931	1.2
271.20529	1.2
273.18478	5.1
275.20059	15.9
277.21674	4.1
283.17197	1.2
293.21140	3.3
299.23462	1.5
311.23862	1.9
313.21515	1.3
315.23148	6.6
323.23605	1.9
325.25278	1.7
327.23340	1.7
333.24213	9.7
335.26016	1.7
341.24561	1.1
347.22256	1.4
349.23672	11.5
353.24796	1.7
365.28455	2.2
368.77362	1.1
379.30270	2.0
381.31766	3.0
382.53812	1.1
395.29745	1.3
403.29752	1.8
405.31836	1.2
407.29611	3.0
421.31006	2.9
423.32568	4.1
439.32135	1.6
461.33847	1.9
495.34320	1.8
497.36475	4.7
499.34064	8.1
513.35852	7.8
515.38794	7.1
516.39435	1.6
527.37256	1.9
533.39893	10.5
539.37390	1.8
551.40601	6.0
553.38824	3.0
555.36584	1.9
569.42206	2.0
589.42157	2.1
607.43396	30.3
608.43793	2.4
625.44525	100.0
626.44879	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01865	16.4
55.05504	39.9
57.03438	8.0
57.07060	4.7
59.04979	3.2
65.03920	4.3
67.05496	68.8
68.58275	1.4
69.07058	31.8
69.43154	16.5
71.04987	4.9
77.03912	1.8
79.05481	47.0
80.05791	2.0
81.03401	3.3
81.07043	75.2
83.04976	8.2
83.08598	19.2
85.06533	4.1
85.47658	1.5
87.71857	1.3
91.05466	48.6
92.05814	2.4
93.07032	44.3
93.13996	1.4
95.04958	8.8
95.08594	46.4
96.08958	1.9
97.06517	14.4
97.10150	13.7
99.08076	2.7
103.05402	2.1
105.07020	48.3
105.07724	2.7
106.07339	1.6
107.04938	4.9
107.08578	34.4
108.08907	2.0
109.06508	6.0
109.10133	22.4
111.08061	4.9
115.05461	3.2
117.07008	22.4
119.08556	35.3
119.33595	1.3
121.06473	2.1
121.10126	16.6
122.10458	2.1
123.08079	3.0
123.11693	11.0
125.09607	14.0
128.06219	6.2
129.06976	22.1
130.07840	2.1
131.08548	39.9
133.06488	3.1
133.10104	31.9
135.08067	5.3
135.11650	10.3
137.09657	2.4
139.11218	2.6
141.06985	9.2
142.07794	5.9
143.08551	30.0
144.09312	3.5
145.10104	32.7
147.08038	2.3
147.11674	21.2
149.09630	5.5
149.13266	6.7
151.11189	4.9
153.07005	2.7
154.07761	3.4
155.08537	19.6
156.09335	3.4
157.10100	24.1
158.08438	1.7
159.11661	21.3
161.09647	3.1
161.13190	9.0
163.11189	4.1
163.14835	3.3
165.07045	2.1
166.07675	1.9
167.08559	7.8
168.09300	3.4
169.10112	20.6
170.10655	1.5
171.11647	21.3
172.12093	1.5
173.09612	2.4
173.11841	2.9
173.13283	11.1
175.11240	3.4
175.14864	6.9
177.12764	3.0
179.08557	2.8
180.09389	1.6
181.10094	11.0
181.11507	1.5
183.11655	23.8
184.12250	2.1
185.13263	14.6
187.11168	1.9
187.13293	2.9
187.14842	7.5
189.11203	6.1
193.10133	5.1
195.11682	14.4
197.13252	17.3
199.11220	2.2
199.14778	11.3
201.16321	2.7
207.11711	5.2
209.13251	10.1
211.14769	9.2
213.12865	1.7
213.16373	6.2
221.13300	4.9
223.14809	8.2
225.16437	7.3
227.12843	6.8
227.17961	2.9
229.19618	2.0
235.14861	3.5
237.16402	4.7
239.18010	6.3
241.19519	4.8
243.15833	3.1
243.21190	1.6
249.16435	2.1
251.18019	3.9
253.19733	3.1
254.20071	1.7
255.17488	1.9
257.18964	3.6
259.20633	7.9
265.19431	2.2
271.20792	1.9
275.20029	15.3
276.20416	2.3
277.21640	3.7
279.21078	1.8
291.19644	2.9
313.21735	1.9
315.23117	2.0
323.23636	2.4
333.24344	4.7
349.23856	5.9
353.24835	2.9
363.26880	2.6
365.28320	9.1
379.29938	2.1
381.31647	3.7
421.30939	4.3
436.87845	1.7
437.34256	2.5
439.32220	5.5
457.32965	1.8
495.34573	4.2
497.37863	1.9
513.35651	19.9
515.38861	10.1
527.37390	2.5
533.39606	12.1
551.40851	8.7
589.42566	3.3
597.45227	1.8
607.43579	43.5
608.43744	3.7
625.44501	100.0
626.44684	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	625.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72033	0.8
55.05499	2.1
60.95599	1.2
67.05481	3.3
71.70000	1.6
76.34491	0.8
79.05484	2.8
81.07047	4.0
83.08622	1.8
88.51896	0.9
91.05470	3.0
93.07018	4.1
94.23035	0.9
95.04987	0.9
95.08619	1.6
105.07012	1.8
107.08602	1.5
109.10074	0.9
112.95691	0.9
113.88726	1.0
114.27717	1.0
117.07008	1.0
119.08528	2.1
121.10148	1.3
131.08621	1.6
133.10106	2.0
143.08566	1.2
145.10085	1.2
171.11716	1.1
173.13254	1.3
183.11746	0.9
195.09264	0.9
195.11832	1.3
227.11789	1.8
249.10287	1.4
259.20654	0.9
267.14807	1.4
278.18137	0.9
299.28561	0.9
383.12341	1.6
402.18658	1.2
403.19751	0.9
417.20776	1.9
430.17453	1.2
431.18713	3.1
433.23953	1.8
437.19138	1.1
444.19525	3.4
445.20419	4.1
459.21603	18.4
459.27036	1.3
460.22488	5.5
461.23560	2.4
473.23401	1.7
475.21405	1.7
478.19769	1.3
505.22833	1.6
508.19864	1.2
517.22571	1.2
519.23956	3.8
520.20648	2.1
521.25256	2.5
533.25372	10.7
537.24738	3.4
547.23053	2.7
549.25238	2.1
560.24347	1.1
565.24207	5.7
566.24786	1.3
575.22736	3.8
576.22864	1.2
577.24536	1.3
579.22369	2.7
581.27777	3.0
582.24438	2.5
592.26721	100.0
593.23914	26.5
594.26001	1.4
596.25342	1.2
597.26953	8.7
607.25464	8.7
607.43604	1.8
608.25800	7.0
610.24017	2.2
625.26379	35.9
625.43091	5.9
626.26550	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03933	5.4
53.30207	1.0
55.01860	10.0
55.05502	31.2
57.03418	5.6
57.07061	5.0
65.03913	2.6
67.05492	62.2
69.03425	3.2
69.07053	24.6
71.04974	5.1
73.43674	1.1
79.05480	46.3
81.03402	6.8
81.07041	70.6
82.46261	1.0
83.04971	6.5
83.08601	17.9
85.02877	2.5
85.06544	3.5
91.05464	49.6
93.07027	44.2
95.04943	12.1
95.08588	44.2
97.04981	1.1
97.06498	7.5
97.10108	5.4
99.08085	1.5
103.05443	3.0
104.06343	1.0
105.07010	46.9
105.07722	2.3
107.04947	8.5
107.08572	28.9
109.06500	15.7
109.10134	21.7
111.08031	5.1
115.05479	3.8
116.06267	1.0
117.07000	21.7
119.08557	34.6
121.06505	6.9
121.10124	14.9
123.04423	1.3
123.08057	5.8
123.11646	4.9
125.09598	2.1
127.65095	1.0
128.06195	5.5
129.06970	14.4
130.07762	2.5
131.08542	25.9
133.06474	3.5
133.10107	32.9
135.08032	5.2
135.11661	10.0
137.09605	3.6
141.06961	6.6
142.07793	5.0
143.08536	19.2
144.09305	1.8
145.06493	5.0
145.10092	23.7
147.08060	2.6
147.11678	15.0
149.09578	6.7
149.13251	5.2
151.11139	7.1
153.06998	2.1
154.07698	2.5
155.08536	12.3
156.09340	2.5
157.06470	2.0
157.10100	18.8
159.08046	4.0
159.11668	14.5
161.09641	4.7
161.13200	5.6
163.11208	5.6
163.14806	1.4
165.06938	2.5
166.07509	1.5
167.08502	6.9
168.09363	2.8
169.10101	14.5
171.08022	2.9
171.11659	16.5
173.09619	4.4
173.13176	8.2
175.11194	2.2
175.14844	3.2
178.07710	1.5
179.08554	4.8
180.09258	2.5
181.10077	8.5
182.11000	2.2
183.08070	1.8
183.11687	13.1
185.09641	5.3
185.13235	11.8
187.11234	2.4
187.14809	4.4
189.12776	2.5
189.16302	1.7
191.10684	1.1
191.14268	1.5
193.10118	4.2
193.12262	1.9
194.10672	1.2
195.11674	10.7
196.12386	1.5
197.09605	2.6
197.13210	9.6
199.11203	4.0
199.14784	7.1
201.12732	2.7
201.16415	2.3
205.10114	3.0
205.15915	1.2
206.10873	1.7
207.11717	4.5
208.12521	1.3
209.09694	1.1
209.13271	7.6
210.13989	1.1
211.11247	3.4
211.14771	5.3
213.12767	3.0
213.16412	5.2
215.17947	2.0
219.11722	3.7
221.13168	5.3
223.11237	1.8
223.14799	6.4
224.37642	1.1
225.12791	2.5
225.16400	3.8
227.14398	1.8
227.17986	2.5
229.19475	1.9
233.13271	1.4
235.14828	3.5
237.16425	3.8
239.14304	2.2
239.18007	3.6
241.15976	1.3
241.19571	3.0
245.19153	1.8
247.20488	1.9
249.16447	2.7
251.14378	1.6
251.17921	2.3
253.14221	7.7
253.19508	1.4
255.17418	1.8
257.19043	4.1
259.14822	1.5
259.20648	3.0
261.16278	1.8
263.17786	1.5
265.16013	1.7
269.19235	2.0
271.16965	1.6
273.18564	5.1
275.17194	1.3
275.20081	19.9
277.19391	1.4
281.19101	1.5
283.20432	1.4
289.18033	1.8
291.19580	3.6
293.21069	3.2
295.20184	1.5
307.20639	1.1
313.21713	1.6
315.23233	1.8
321.22061	1.2
327.23129	1.5
335.19263	1.1
339.22934	1.2
347.22833	2.0
349.24316	2.4
351.23007	1.8
351.26849	1.5
353.28442	4.5
355.26282	1.6
361.25177	1.6
365.24280	1.7
367.26010	1.3
377.24365	1.3
389.28424	1.4
405.28018	1.3
407.29504	2.3
419.18097	1.1
421.31284	1.3
469.33096	1.4
476.21588	1.5
477.22708	1.6
495.35605	1.3
503.38971	1.5
511.34161	2.4
513.37122	5.7
525.35968	2.7
531.38348	13.4
549.39404	10.7
553.34882	1.3
563.26501	7.4
567.39764	2.0
569.39996	1.2
577.42169	1.3
595.43561	3.7
601.18427	1.3
605.41827	26.6
623.28735	11.2
623.42969	100.0
624.28308	1.6
624.43445	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.5
53.00297	0.9
53.03944	4.9
55.01621	1.6
55.01861	13.8
55.05503	46.1
57.03429	5.5
57.07050	2.8
59.04964	1.1
64.70609	0.9
65.03915	3.0
67.05494	59.0
69.03409	4.1
69.07055	28.7
70.32944	3.9
71.04960	4.0
71.05318	1.0
77.03919	1.1
79.05478	51.8
81.03396	5.1
81.07042	66.9
83.04982	7.4
83.08603	18.3
85.02882	0.9
85.06519	2.7
91.05464	47.0
93.07029	40.3
95.01312	3.0
95.04961	9.6
95.08594	37.5
97.02885	1.3
97.06507	14.9
97.09570	1.9
97.10149	22.6
99.08053	1.7
100.81995	1.1
105.07011	45.7
105.07722	2.3
105.90627	1.1
107.04939	6.6
107.08577	28.2
109.06499	12.1
109.10136	17.4
111.04415	1.1
111.08064	3.5
115.05431	3.7
117.06997	23.5
119.08559	31.9
121.06494	4.0
121.10113	12.1
123.08064	4.5
123.11687	3.5
123.18143	1.0
125.09602	15.2
128.06189	6.3
129.06978	17.7
130.07727	2.0
131.04893	1.1
131.08548	26.4
133.06442	2.1
133.10100	24.4
135.08049	5.6
135.11652	7.1
137.09593	3.1
141.06955	9.8
142.07796	5.8
143.08536	20.5
144.09369	1.1
145.06471	3.3
145.10097	21.2
147.08052	3.3
147.11668	13.4
149.09576	6.0
149.13281	5.2
153.06976	3.5
153.09053	1.4
154.07689	1.4
155.08513	16.5
156.09282	1.7
157.10095	16.4
159.07979	2.7
159.11682	16.3
161.09570	3.3
161.13254	6.2
163.11151	3.7
163.14793	2.0
165.06999	3.0
165.12729	1.2
166.07738	2.5
167.08536	8.1
168.09296	3.6
169.10101	19.8
170.10948	1.3
171.07985	1.7
171.11674	12.4
171.13069	1.7
173.09630	3.3
173.11858	2.1
173.13257	7.4
175.11153	1.8
175.14804	1.7
177.12688	1.8
178.07773	2.0
179.08557	4.1
179.14310	3.8
180.09302	2.5
181.10100	10.6
182.10878	2.1
183.08060	1.4
183.11681	16.0
185.09627	1.6
185.13237	7.5
187.11156	2.3
187.13303	1.1
187.14836	3.4
189.11206	9.4
189.12675	1.7
189.16208	1.4
191.14301	1.0
192.09332	1.4
193.10110	6.3
193.12222	1.5
195.11682	10.1
195.13446	1.7
196.12474	1.4
197.09627	1.5
197.13249	10.9
199.14809	3.9
205.10159	2.5
205.12086	1.2
206.10870	1.1
207.11748	5.2
207.13509	1.1
208.12514	1.6
208.86418	1.0
209.13255	7.7
211.14740	6.5
213.16313	2.7
214.03749	1.2
215.17873	1.3
219.11641	2.1
221.13275	4.9
223.13036	1.9
223.14839	2.9
225.12741	1.4
225.16344	3.6
227.12666	9.4
227.17934	1.8
229.19505	1.4
233.13232	1.7
235.14822	3.5
237.16405	4.5
239.14368	1.1
239.17946	5.9
241.19586	3.2
245.13458	2.0
247.14906	1.9
247.20592	3.4
249.16432	1.8
251.17979	3.4
253.19423	2.3
255.17247	1.2
257.18945	5.1
259.20612	3.8
265.15585	1.1
265.19559	1.7
267.20975	1.0
269.19073	1.3
271.16940	1.4
271.20700	1.3
273.18527	3.2
275.20068	29.9
277.19382	1.4
285.21881	1.5
287.20468	1.1
291.19403	11.6
293.21176	2.1
295.20435	1.5
297.22238	1.9
299.23685	3.0
309.22095	1.3
313.22000	1.3
315.23193	2.5
325.21387	1.6
327.23175	1.5
331.22623	1.4
337.21429	1.5
339.22968	1.4
349.24234	1.5
363.26901	3.4
367.26306	1.5
377.28540	1.8
379.30017	8.1
387.15735	1.2
391.19223	2.4
393.20691	1.1
395.29489	1.4
399.16180	1.6
400.17322	1.0
401.17896	3.0
401.27679	1.0
403.39731	1.0
415.19168	2.1
429.21356	1.3
431.29349	1.1
433.30759	1.9
443.22974	1.4
445.20212	1.3
447.17786	1.8
451.32016	1.7
459.18088	1.9
469.32974	1.7
471.21722	3.1
472.22604	1.7
473.19775	2.1
474.20224	1.5
486.20383	1.5
489.23251	1.9
490.20096	1.7
491.20816	2.1
493.33270	1.4
499.21231	3.9
501.22992	2.6
503.21045	2.2
511.34518	2.3
513.19025	1.4
513.37109	3.8
514.20123	1.4
517.22418	4.9
525.35681	8.0
529.22046	3.9
531.38361	5.4
535.22888	1.4
545.21783	18.3
546.22198	3.3
549.39380	5.2
551.37799	1.8
553.36377	1.4
554.35913	3.1
555.36530	1.3
563.22858	1.6
567.40540	2.2
573.21460	6.2
574.21326	1.6
595.43372	1.8
605.23944	31.8
605.41815	18.0
606.24152	6.9
623.25720	26.8
623.42926	100.0
624.25745	4.8
624.43481	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84440	1.0
53.03931	4.8
53.95189	0.7
55.01864	7.7
55.05499	19.2
57.03423	15.7
57.07063	2.5
64.22607	0.7
65.03931	6.6
67.05492	68.0
69.03403	2.1
69.07051	18.4
69.75578	1.1
70.52329	3.0
71.04982	3.2
71.08618	0.9
77.03930	1.2
77.14381	0.7
79.05479	47.1
81.03409	9.0
81.07040	54.3
83.04960	5.8
83.08602	10.3
85.06534	10.5
91.05462	58.6
93.07027	42.0
95.01333	2.0
95.04949	59.3
95.08588	28.4
97.06511	8.3
97.10159	2.7
99.08096	1.3
103.05462	2.5
105.07008	50.7
107.04934	13.9
107.08575	25.1
107.09328	1.3
109.06496	46.0
109.10123	10.7
110.50686	0.9
111.04421	1.0
111.08076	3.1
113.05983	23.0
115.05416	4.3
116.06226	1.7
117.06996	24.9
119.04904	1.2
119.08556	28.7
121.06478	8.6
121.10118	11.6
123.04400	1.7
123.08042	9.1
123.11708	2.2
125.09616	2.7
128.06183	4.2
129.06978	18.9
130.07770	2.3
131.08539	33.9
133.06477	3.7
133.10103	25.1
135.08025	18.0
135.11647	10.4
137.06000	1.3
137.09595	1.8
139.11122	1.1
141.07001	6.1
142.07761	3.2
143.08540	19.1
144.09331	1.9
145.06461	5.9
145.10092	25.0
145.11223	1.6
147.08025	6.9
147.11661	14.4
149.09579	6.2
149.13248	6.2
151.11182	1.5
153.07014	1.9
154.07794	1.6
155.08534	8.4
156.09303	1.4
157.06502	1.5
157.10103	15.3
159.08028	4.9
159.11652	19.6
160.12366	0.9
161.09592	7.3
161.13220	8.0
163.11130	5.5
163.14806	1.2
165.07028	1.4
165.12730	1.2
167.08569	3.8
167.89520	0.8
168.09349	1.0
169.10085	11.1
171.08008	1.5
171.11656	12.5
171.13062	1.2
173.09663	3.7
173.13232	11.1
175.11203	3.1
175.14861	2.5
177.12685	4.9
179.08560	1.1
179.14284	2.7
181.10109	4.9
182.10945	1.4
183.11662	9.5
185.09668	2.6
185.13237	9.0
187.11174	6.0
187.14783	6.0
189.12766	2.9
189.16457	2.0
191.08493	1.2
191.14345	1.4
193.10159	2.6
194.10930	1.2
195.11710	5.9
195.13698	1.9
197.13228	7.4
199.11168	2.4
199.14767	5.9
201.12816	1.8
201.16389	3.6
203.14281	1.2
203.18030	1.0
205.10211	0.9
205.12181	1.4
206.10953	1.2
207.11717	3.2
208.12473	1.3
209.13173	5.1
211.11110	1.3
211.14861	3.1
213.12686	1.7
213.16364	2.6
215.14386	1.1
215.17961	2.2
217.15834	6.9
217.19460	1.2
219.17290	1.2
221.13266	3.6
221.15269	1.3
223.14890	3.6
225.12700	1.4
225.16463	1.5
227.17990	3.1
229.19481	1.2
233.15392	1.7
235.14861	1.8
237.16391	2.8
239.18011	2.3
241.14305	1.9
241.19357	4.3
245.18965	1.8
247.20552	1.1
253.15858	1.2
255.17535	3.5
257.19003	6.0
259.20514	8.9
263.17709	0.9
265.19336	1.3
271.04044	0.8
271.16974	2.1
273.18445	22.4
274.18539	1.0
275.20035	17.8
279.15790	7.6
283.20648	1.3
291.19467	28.3
297.16953	1.7
297.22034	1.2
311.24011	1.3
313.21729	1.0
315.23315	4.3
321.22034	1.1
325.25061	1.9
327.23422	1.1
327.26727	4.5
331.22614	2.2
333.24374	5.7
335.23676	1.4
337.21573	1.0
347.22003	10.1
349.23730	2.0
353.24612	1.3
359.23111	1.0
365.24496	1.8
367.25815	1.0
373.24933	1.4
379.26135	1.2
459.32455	1.6
503.38684	1.6
513.36810	3.5
515.33472	1.0
527.37445	1.5
531.38129	8.2
549.39404	5.0
551.37250	1.7
565.39569	1.1
567.40216	3.2
587.41418	1.3
595.43408	2.4
605.41919	18.0
623.42950	100.0
624.42957	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	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05801	1.0
53.03950	4.9
55.01864	11.8
55.05504	27.5
57.03429	17.0
57.07069	2.8
65.03925	6.8
67.05494	78.8
69.03419	3.0
69.07055	23.1
71.04978	5.9
77.03886	1.3
77.56570	0.9
79.05481	62.6
81.03405	7.4
81.07043	71.1
82.07401	1.2
83.04972	8.2
83.08606	12.4
85.06527	10.5
91.05465	63.0
93.07030	56.6
95.01283	2.5
95.04954	59.4
95.08593	39.3
97.06505	10.3
97.10165	6.1
97.10709	0.9
98.20683	2.3
99.04498	1.0
99.08060	2.3
103.05457	1.7
105.04500	1.7
105.07011	57.9
107.04939	17.9
107.08579	32.5
109.02875	1.0
109.06503	44.0
109.10133	13.3
111.04437	1.7
111.08041	5.1
113.05994	20.4
113.09607	1.0
115.05439	4.5
116.06203	1.1
117.06182	1.5
117.06999	28.0
117.07797	1.9
119.04961	1.6
119.08558	39.7
121.06461	7.2
121.10121	17.7
121.10967	1.2
123.04458	1.6
123.08045	8.4
123.11710	2.8
125.06052	1.3
125.09634	3.2
128.06166	5.2
129.06989	18.8
130.07796	2.5
131.04878	1.0
131.08548	37.9
133.06491	3.7
133.10107	30.1
135.08037	19.5
135.11658	13.8
137.09599	3.3
139.11147	1.5
141.06938	6.0
142.07771	3.8
143.08545	16.7
144.09312	1.4
145.06450	5.8
145.10089	31.2
147.08023	6.5
147.11661	19.7
149.09612	8.1
149.13263	8.2
151.11203	2.7
153.06912	1.7
154.07747	1.6
155.08543	8.3
156.09454	1.2
157.06462	1.6
157.10091	15.1
159.08052	6.0
159.11665	22.2
161.09612	8.3
161.13216	9.4
163.11185	6.8
163.14790	1.9
165.06996	1.5
165.12753	2.3
166.07892	1.0
167.08615	4.3
169.10106	11.1
171.07983	1.2
171.11649	15.5
172.12337	1.2
173.09618	4.6
173.13223	11.6
175.11218	3.0
175.14816	2.5
177.12700	5.9
179.08556	2.3
179.14320	2.7
180.09338	0.9
181.10112	6.9
183.11668	10.2
185.09637	2.9
185.13196	9.1
187.11165	5.2
187.14801	5.1
189.11215	1.6
189.12747	2.1
189.16353	1.5
191.14339	1.7
193.10138	3.4
193.12247	1.1
194.10895	0.9
195.08141	1.0
195.11700	7.4
195.13652	2.1
197.09665	1.0
197.13173	8.6
199.11165	3.0
199.14790	6.4
201.12798	3.0
201.16357	2.7
203.14368	2.0
205.10143	1.6
205.12106	2.0
207.11664	3.9
207.13762	1.5
208.12543	1.4
209.13248	5.9
210.14153	1.3
211.11276	1.1
211.14833	4.1
213.12802	1.4
213.16394	3.4
215.14305	2.0
215.17917	2.1
217.15837	5.9
219.11734	1.3
219.13805	1.5
219.17500	1.2
221.13306	3.7
223.14859	4.3
225.12627	1.6
225.16359	2.4
227.17917	2.0
229.15903	1.2
229.19518	3.0
229.89584	1.2
231.21043	1.5
233.13254	1.4
233.15393	1.6
235.14905	2.5
237.16422	3.5
239.14310	1.2
239.17944	3.7
241.19601	4.3
245.13155	1.2
245.19077	1.1
247.14764	1.4
247.20490	2.0
249.16444	1.7
255.17374	2.7
257.19037	8.0
259.20566	6.1
261.16183	1.4
263.17896	1.2
271.16959	1.2
273.18475	17.4
275.20032	30.4
275.69452	0.9
279.15762	9.0
291.19495	26.6
293.21378	2.4
297.75934	0.9
313.21603	1.6
315.23166	4.1
317.22781	1.3
325.25125	1.5
327.23325	1.3
327.26871	2.7
331.22647	2.1
333.24475	5.2
347.22116	8.2
349.23920	2.3
353.24820	1.3
365.23929	2.5
381.28027	1.4
435.32578	1.2
495.35272	1.2
513.36884	3.5
527.37494	1.0
531.38135	7.2
541.35181	1.3
545.21204	1.3
549.39331	6.4
551.37592	1.9
565.38531	1.5
567.40503	3.4
577.42761	1.1
583.53253	0.9
587.41382	1.6
595.43787	2.1
605.24817	1.8
605.41943	14.3
623.25702	2.5
623.42975	100.0
624.43225	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	623.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37739	1.1
53.03938	6.4
55.01857	7.0
55.05503	20.5
57.03426	10.1
57.07070	1.3
61.02915	26.1
65.03936	4.8
67.05492	45.7
69.03419	9.9
69.07057	17.1
71.04986	6.1
71.52724	3.4
73.02899	6.9
79.05479	39.5
81.03415	8.3
81.07043	49.5
83.04958	5.1
83.08598	14.7
85.02890	20.5
85.06518	3.3
91.03954	12.2
91.05465	50.2
93.07031	37.0
95.04956	10.3
95.08591	27.2
97.02871	14.7
97.06525	10.3
97.10157	5.9
99.04428	1.7
103.05466	3.6
105.07007	42.0
107.04953	8.7
107.08578	19.6
109.02844	3.0
109.06501	9.1
109.10126	11.8
111.08045	3.4
115.05431	6.0
116.06216	2.1
117.07003	34.4
119.04912	2.3
119.08560	23.1
121.06511	7.3
121.10129	13.5
123.08053	6.3
123.11681	2.2
125.09580	2.7
127.03957	2.9
128.06181	9.0
129.06987	34.0
131.04997	2.5
131.08546	44.3
133.06480	6.7
133.10088	16.6
135.08040	5.3
135.11674	5.8
137.09598	2.4
139.11195	1.6
141.06995	16.4
142.07765	3.1
143.08546	30.2
144.09322	1.9
145.06471	8.7
145.10112	21.2
147.08041	7.6
147.11623	9.5
149.09567	7.1
149.13255	3.5
151.11183	1.7
153.06978	3.3
154.07736	2.0
155.08534	26.3
157.06482	3.3
157.10097	19.4
159.08038	6.4
159.11679	13.8
161.09627	3.9
161.13148	1.9
163.11136	4.5
165.07027	2.6
166.07751	2.2
167.08546	12.3
169.10107	17.0
171.08051	3.0
171.11656	11.9
173.09624	4.1
173.13237	4.0
175.11174	4.8
175.14804	1.5
177.12749	4.4
179.08517	4.5
180.09274	1.8
181.10095	11.2
182.10919	1.7
183.11658	11.8
185.09612	5.4
185.13309	6.2
187.11230	4.2
187.14799	4.6
189.11191	2.4
191.08450	1.8
191.10695	1.9
193.10074	4.6
195.11674	9.6
195.13306	1.8
197.09639	2.9
197.13271	6.2
199.11160	3.1
199.14824	5.8
201.12549	1.4
203.14278	3.0
205.10167	1.8
207.11667	5.4
209.13208	9.2
211.11292	2.6
211.14813	5.6
213.12805	3.1
213.16353	2.6
215.10902	1.4
215.14313	5.0
219.13739	1.5
221.13290	7.0
223.14850	8.0
225.12779	3.6
225.16348	2.8
229.14188	2.7
235.14757	7.2
237.12781	2.0
237.16418	3.2
239.14262	5.4
239.18022	1.6
241.15898	2.5
245.15277	1.7
249.16495	2.2
251.14406	1.7
253.15845	3.6
257.15295	5.0
257.18900	2.4
267.17551	1.7
269.15283	1.8
271.16995	5.1
275.16736	1.9
275.20029	10.6
309.18442	1.6
315.20935	1.8
323.23672	6.0
333.22076	13.6
341.24612	7.5
351.23126	43.2
366.59454	1.4
369.24170	37.8
387.25226	16.7
405.26431	1.8
407.25668	1.4
425.27002	7.3
443.27872	100.0
444.28165	3.2
461.28949	64.4
462.29007	1.8
485.28998	2.1
551.29816	1.6
569.31647	1.5
605.32764	2.8
623.34082	3.9
623.42694	6.0
629.56787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	5-Cinnamoyltaxicin I triacetate
Peak:m/z	Relative Intensity
71.62719	0.7
79.10266	0.4
91.96269	0.3
200.81442	0.4
243.92944	0.4
380.45166	0.4
390.18463	0.8
391.19318	1.6
392.19952	0.9
393.20441	0.6
399.16003	0.7
399.80804	0.5
400.16623	0.9
401.17856	0.7
404.20618	0.8
405.20905	1.9
406.21191	1.7
407.22354	3.8
413.17807	1.3
413.72757	0.5
414.18463	1.0
415.19016	2.0
416.20581	0.6
419.22821	0.6
420.23352	0.6
421.23737	2.9
427.19431	1.0
428.20120	1.3
429.20856	4.3
430.21555	1.0
433.24561	0.5
441.21249	0.5
443.22440	2.7
444.23062	0.8
445.20374	0.8
447.17627	0.7
448.18954	0.5
456.19510	0.5
457.24411	0.9
458.24612	1.2
459.22162	1.9
461.19714	1.2
462.20590	0.5
472.22476	0.9
475.21075	1.9
476.22058	0.8
477.22897	0.5
485.23581	2.1
486.24179	0.5
489.22818	0.7
499.21118	0.9
503.24567	1.1
517.26184	1.3
535.27240	0.9
545.25421	46.5
546.26025	1.3
563.26172	0.9
564.27057	1.3
573.24872	8.5
591.26160	1.8
605.27527	100.0
606.28058	3.5
623.28558	91.3
624.29004	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49434	0.3
55.01857	0.3
55.05494	1.0
67.05492	1.7
69.07050	0.6
70.29625	0.9
79.05482	1.6
81.07035	2.2
83.08600	0.4
91.05466	1.6
93.07024	1.3
95.04949	0.9
95.08592	0.9
97.06532	0.4
97.10143	0.3
98.21482	0.3
105.06999	1.3
107.04937	0.6
107.08590	0.4
109.06442	0.3
109.10150	0.5
111.08079	0.5
113.00049	0.3
117.07018	0.6
119.08546	1.3
121.10139	0.4
129.06993	0.3
131.08572	0.8
133.10117	0.8
135.08034	0.3
135.11714	0.4
143.08516	0.5
145.10141	0.4
147.11650	0.3
155.08569	0.3
157.10170	0.3
159.08047	0.3
159.11653	0.7
161.09875	0.2
171.11583	0.3
183.11690	0.3
197.13184	0.3
237.14008	0.3
238.14589	0.3
257.18994	0.4
271.17154	0.3
275.20032	1.5
289.18100	0.4
291.19388	0.4
293.21161	0.5
313.27344	0.3
377.17819	0.4
388.17136	0.5
389.17599	0.8
390.18466	0.5
391.19266	1.1
393.19971	0.3
400.17215	0.3
401.17581	1.0
402.18521	0.5
403.19281	1.1
404.19870	1.0
405.21094	1.4
407.22400	1.0
415.19229	1.0
416.20068	0.6
417.16653	0.9
417.21698	1.8
418.17236	0.4
418.22025	0.3
419.22763	2.3
420.23264	0.5
429.16241	0.3
429.20938	0.8
430.17307	1.3
431.17633	1.8
431.22919	0.8
432.18835	0.7
432.24017	0.6
433.20007	4.6
434.20953	0.6
443.17755	1.7
444.18750	1.5
445.19919	3.3
446.21109	1.9
447.21796	2.5
448.23010	0.7
449.23499	0.4
451.31879	0.3
457.19772	0.7
458.20874	5.4
459.21689	3.9
460.22714	2.9
461.19193	0.6
462.20483	0.7
463.21164	1.7
472.22491	0.5
473.23364	0.9
475.21359	0.8
476.21878	0.8
477.22607	1.2
485.24261	0.5
487.25143	0.7
489.23239	0.5
491.24933	0.3
503.20706	0.4
503.23935	0.4
504.25128	0.5
505.21848	0.4
511.37692	0.7
517.22260	0.3
518.23035	2.7
519.23810	0.4
521.21924	0.9
531.23560	0.4
532.24500	0.4
533.25427	5.4
535.26672	0.9
536.23120	0.4
545.25336	3.0
546.26227	0.7
563.26520	5.0
573.24506	0.6
577.28235	0.5
591.26178	1.2
605.27417	6.9
623.28528	100.0
624.28955	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05507	0.3
64.92933	0.3
67.05478	0.6
69.07062	0.3
69.90445	0.3
70.82646	0.5
70.83002	1.0
77.93258	0.3
79.05500	0.6
81.07049	0.9
91.05448	0.5
93.07059	0.5
95.04967	0.5
102.41837	0.3
105.07035	0.5
107.08580	0.5
120.08194	0.4
129.06967	0.4
131.08571	0.3
132.32155	0.3
145.10138	0.5
172.03908	0.3
203.34987	0.4
209.10753	0.4
220.47281	0.3
254.63275	0.3
258.16022	0.3
280.37582	0.3
373.14517	0.4
374.15512	0.6
375.16037	0.6
387.16248	0.9
388.16864	1.6
389.17578	3.1
390.18494	1.4
391.19159	0.9
401.17899	0.9
402.14178	0.5
402.18640	1.0
403.15195	0.8
403.19528	3.8
404.20139	2.0
405.20679	2.4
406.20956	0.3
415.15082	0.6
415.19772	0.5
416.16260	1.1
416.20792	0.5
417.17004	3.6
417.20990	2.5
418.17004	0.7
418.21634	1.1
419.22446	6.1
420.23016	0.7
430.17764	1.1
430.22449	0.5
431.18024	6.3
431.23477	0.8
432.19049	2.9
433.20062	2.6
443.18317	0.5
445.20044	6.0
446.20941	7.4
447.21802	9.7
448.22324	1.0
458.21048	0.4
459.21906	1.8
460.18228	0.7
460.23489	0.4
461.19702	1.3
463.20908	0.4
473.19336	1.2
473.23996	1.2
474.20322	6.3
475.21136	8.0
478.23938	0.5
487.21265	3.4
488.22113	0.7
491.20825	1.4
501.22800	1.2
505.25720	1.2
518.23273	0.7
519.20697	0.6
529.22400	0.8
533.25446	14.1
534.25720	0.9
546.23016	0.5
561.24902	21.6
562.25330	1.1
589.24188	1.1
593.27478	4.0
621.26984	100.0
622.27332	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.6
67.05510	0.7
71.45515	1.0
71.45850	0.8
93.30365	0.5
94.97116	0.6
106.06599	0.6
128.16528	0.6
130.06462	0.6
209.10741	1.1
210.11502	0.6
211.12506	0.7
220.10020	0.9
221.10809	1.3
222.11659	0.7
223.12311	0.9
235.12251	1.3
242.82271	0.6
249.10352	0.6
259.12152	0.7
296.11877	0.7
310.13467	0.7
312.15088	0.8
322.13379	0.7
323.14166	0.9
338.12802	0.9
338.16513	0.7
361.15131	0.6
373.14526	1.2
374.15417	2.2
375.16174	2.4
376.17230	0.9
386.16684	0.9
387.15897	3.9
388.16779	4.7
389.17593	11.9
390.18579	5.1
391.19101	3.3
400.17780	1.0
401.13159	0.7
401.17935	3.1
402.13824	1.1
402.18735	5.7
403.19461	15.9
404.20117	8.2
405.20776	9.5
413.17401	1.0
415.14871	1.3
415.20032	3.2
416.15317	4.8
416.20505	2.3
417.16113	14.1
417.21094	7.3
418.17551	2.9
418.22601	3.1
419.22369	21.0
420.22903	1.9
429.16650	1.3
429.21353	1.0
430.16925	4.4
430.22452	1.3
431.18085	25.4
432.19070	9.7
433.20145	8.8
435.21674	1.3
443.18649	2.2
444.19382	2.5
445.20065	17.8
446.20892	18.5
447.21658	22.7
448.22989	1.6
450.86954	0.7
457.20425	1.2
459.17346	2.9
459.21902	6.6
460.18643	2.3
461.19385	3.4
462.20242	0.8
463.21317	1.0
473.18829	1.8
473.23633	3.1
474.20297	16.1
475.21210	18.8
476.22134	1.7
477.22855	1.0
478.24170	1.0
487.21228	6.9
488.22061	3.0
491.19891	3.0
501.22705	4.2
503.20264	1.1
505.25931	3.2
506.22540	0.7
518.23083	1.2
519.20135	1.7
529.22162	1.7
533.25446	31.2
534.25488	1.2
546.22736	0.8
561.24890	39.6
562.25592	3.6
589.24243	1.0
593.27393	6.6
621.26978	100.0
622.27539	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	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71233	0.4
63.71764	0.3
69.51720	2.9
69.52134	0.6
81.06973	0.3
87.06472	0.3
95.04923	0.3
112.45742	0.4
118.22551	0.4
239.12036	0.4
246.74210	0.4
291.19516	0.6
375.16006	0.6
387.16147	1.1
388.16824	1.5
389.17578	3.3
390.18491	0.9
390.81479	0.4
391.19092	0.5
401.17563	1.2
402.18442	1.5
403.19354	4.6
404.20020	2.4
405.20691	1.5
415.15381	0.5
416.15558	0.7
417.16949	2.9
417.20886	2.4
418.21448	1.5
419.17380	0.6
419.22360	7.9
420.22971	0.7
429.21521	0.5
430.17746	1.4
431.18057	6.3
432.18979	3.2
433.20059	1.8
443.18643	0.9
444.19312	0.5
445.20001	6.4
446.20975	4.6
447.21777	12.5
448.22235	1.0
458.20999	0.9
459.21652	2.2
460.23172	0.6
461.19263	0.8
473.19534	1.4
473.24487	0.7
474.20331	11.7
475.21188	16.1
476.21533	1.1
487.21329	4.8
488.21768	1.2
489.22653	0.7
490.23770	0.5
501.22742	2.6
502.23206	0.5
505.26349	1.7
506.23038	0.5
517.22107	0.4
518.23108	1.0
519.22137	0.5
529.22406	0.8
533.25464	11.1
534.25348	0.7
539.22736	0.5
546.22766	1.1
547.22888	0.5
561.24890	86.1
562.25262	6.5
589.15454	0.5
589.24420	3.3
593.27527	4.3
594.28125	0.4
621.26978	100.0
622.27386	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	619.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64009	0.4
53.35666	0.4
54.68539	0.4
55.05505	1.1
58.06596	2.4
61.02923	3.8
68.05018	19.8
69.03423	0.9
69.07060	0.5
70.06567	1.3
71.69131	0.6
72.08140	15.6
73.02917	1.1
77.91270	0.4
84.08136	0.4
85.02897	2.5
85.07125	0.4
86.06052	100.0
86.09686	5.3
91.03944	2.2
96.04478	1.6
97.02879	1.9
100.07629	0.7
112.24212	0.4
113.07127	0.8
114.05511	13.5
114.09148	1.1
114.52083	0.4
127.03877	1.2
128.07062	3.7
132.10202	1.5
142.04984	6.4
169.13405	0.6
171.21440	0.5
176.17116	0.5
180.03371	0.4
181.13318	0.5
185.12820	8.4
199.10745	2.8
199.14351	4.4
209.09160	0.6
213.12314	20.2
214.12714	0.5
227.10223	2.1
227.13826	1.1
245.14931	42.1
246.15254	0.6
248.11337	1.4
255.13388	0.9
287.15997	2.0
317.10703	0.5
326.16861	0.6
358.19669	20.6
371.18228	0.6
407.20184	21.2
457.26529	22.9
499.27728	2.9
520.24945	25.5
521.24963	0.5
619.31750	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.64730	0.8
65.99519	0.8
69.04938	0.6
71.70574	0.7
76.14883	0.8
79.05495	1.1
129.04425	0.7
180.66551	0.9
252.47815	0.9
309.31586	0.8
311.72894	0.8
387.16385	0.8
389.17761	2.3
391.19070	1.1
401.17957	1.4
403.19327	2.5
417.21243	1.6
419.22421	3.4
431.18756	3.1
445.20212	3.4
446.21310	1.7
447.21768	5.4
459.17844	1.9
461.19885	1.7
473.19659	1.5
474.20709	5.0
475.21194	8.0
487.21405	1.8
501.23196	2.2
505.98868	0.8
507.80618	0.9
533.25720	6.5
541.17383	1.0
561.24933	24.3
562.25110	1.1
621.27008	100.0
622.27448	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.51299	0.1
60.27797	0.1
61.07297	0.1
68.72939	0.1
69.34703	0.3
69.35127	0.9
75.27157	0.1
84.37841	0.1
98.21519	0.2
231.75948	0.1
339.06818	0.1
345.19754	0.1
403.19263	0.3
417.17068	0.3
418.17209	0.2
418.22180	0.1
419.22351	1.3
420.22879	0.2
431.17853	0.5
432.19543	0.5
433.20029	0.5
445.19812	0.9
446.20865	2.4
447.21732	3.5
448.22211	0.3
459.22421	0.7
460.17920	0.1
460.23361	0.2
461.19690	0.4
463.21451	0.2
473.18906	0.3
473.23773	0.4
474.20349	2.5
475.21167	3.3
477.22430	0.1
478.23425	0.2
487.21304	1.3
488.22156	0.4
491.20044	0.6
501.22986	0.7
505.26819	0.5
518.23132	0.3
519.20111	0.3
529.22601	0.4
533.25415	6.2
534.25714	0.2
546.22034	0.1
547.23584	0.1
561.24878	12.3
562.25519	0.7
565.27734	0.2
589.24463	0.7
593.27576	2.8
594.27844	0.2
621.26965	100.0
622.27283	5.4
622.37769	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	619.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76768	0.4
53.03929	0.9
55.01847	0.9
55.05502	5.9
57.03416	0.8
57.07050	0.6
58.99567	0.4
65.03923	0.9
67.05495	9.2
69.03420	1.9
69.06753	0.3
69.07063	4.5
70.06561	0.9
70.60313	1.4
71.04981	2.1
76.02187	1.2
79.05473	5.2
81.03391	1.2
81.07040	13.2
83.04952	0.9
83.08603	3.2
85.02894	3.3
85.06556	1.8
91.05461	6.4
93.07027	4.5
95.04952	2.5
95.08590	15.5
97.02859	1.2
97.06505	2.8
97.10124	1.4
99.04434	0.5
99.08065	1.1
100.80428	0.4
103.03907	0.4
105.07006	4.8
107.01296	0.5
107.04935	0.5
107.08559	1.6
109.02843	0.5
109.06483	0.6
109.10128	2.0
111.08041	0.8
113.62907	0.4
114.75286	0.3
116.01654	0.5
117.07007	0.6
119.08558	4.7
121.10121	1.2
123.08044	1.2
126.75382	0.4
127.03892	1.9
131.08542	0.6
133.10101	2.6
135.11679	2.3
137.09494	0.6
137.13216	1.6
145.04948	0.9
145.10124	0.5
155.04871	1.6
155.66434	0.4
159.11604	0.5
161.13251	6.0
165.09029	0.8
167.06947	0.4
173.05933	0.5
179.04799	0.8
179.14285	5.5
183.04390	1.8
197.05971	0.5
197.15382	2.2
201.05466	1.5
211.03874	6.3
215.03365	0.4
219.02841	0.8
225.05415	0.9
228.04286	0.7
229.04956	4.7
239.03339	0.9
243.02838	0.6
245.04427	0.7
253.05009	0.9
256.03616	1.6
257.04410	49.2
258.04684	1.0
260.03168	2.4
261.03882	6.0
263.01782	0.5
267.02802	2.4
271.06070	2.3
273.03888	23.2
274.04678	3.4
281.04370	0.9
285.03891	100.0
286.04306	2.2
287.01907	0.6
287.05405	1.1
289.03439	0.5
293.21106	1.0
294.21402	1.1
295.05930	0.7
297.03833	2.3
299.02142	0.8
299.05396	6.4
303.04938	73.8
304.05267	1.3
308.08957	1.0
311.05490	0.7
313.06955	1.3
323.05524	1.5
323.18616	0.6
327.04956	11.7
339.04938	3.7
341.06284	0.5
341.19476	0.8
345.05969	0.5
351.04861	2.2
357.05963	2.0
369.06018	7.6
387.07074	4.4
402.06180	0.4
405.08075	5.2
463.17007	0.5
481.18405	1.8
499.19513	6.8
583.22076	0.5
601.22467	1.4
619.23578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05503	18.8
57.03421	6.6
57.07057	6.2
61.81996	1.9
65.74200	1.4
67.05494	45.8
68.59188	1.4
69.07062	20.4
71.08624	5.5
71.19817	3.1
71.20197	3.7
72.74194	1.6
79.05481	23.3
81.07043	51.2
83.08614	14.0
89.06063	2.1
91.05461	18.0
93.07030	31.5
95.04995	2.9
95.08587	46.4
97.06508	5.0
97.10150	7.4
105.07002	19.4
107.08578	20.7
109.06480	1.9
109.10149	20.5
111.08044	2.2
117.06998	4.3
119.08554	19.2
121.10136	21.6
123.11669	10.7
125.09627	2.4
129.06985	4.1
131.08557	11.8
133.10097	11.9
135.11659	13.9
137.13226	3.3
143.08569	2.6
145.10118	11.2
147.11632	10.2
149.09644	1.7
149.13211	8.9
151.11215	3.1
157.10133	3.5
159.11693	9.0
161.13252	8.0
163.14818	2.9
171.11668	2.3
172.67232	1.5
173.13251	4.2
175.14821	6.5
177.16263	2.2
179.14316	4.8
185.13205	1.8
187.14786	4.6
190.76688	1.5
199.14905	1.8
231.21062	2.4
241.19572	2.4
243.21078	3.6
259.20605	2.6
261.22220	7.4
277.21774	4.4
279.23071	1.8
292.04575	1.5
333.24286	3.8
335.25687	8.6
337.27246	11.3
339.29019	3.9
428.82443	1.8
523.44983	4.0
531.40204	2.6
597.48657	13.5
615.49701	100.0
616.50244	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	617.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50317	2.0
67.37100	1.7
69.03393	3.4
69.41560	6.2
69.41982	16.9
70.06559	3.0
76.50862	1.7
77.80343	1.7
85.02888	7.6
86.06046	1.8
86.09716	2.2
89.05387	1.9
118.50966	2.3
128.55754	2.0
151.35242	1.7
217.04904	3.3
219.02859	5.3
229.04849	3.1
233.04422	2.2
243.02853	3.4
244.03496	2.4
245.04529	10.6
246.56987	1.9
247.02336	7.3
253.04803	3.7
256.03506	2.3
257.04434	19.9
259.02328	5.4
260.03006	13.6
261.03940	6.6
263.01910	1.9
269.04346	2.5
271.02313	1.8
271.05945	5.8
272.03119	19.2
273.03888	100.0
274.04639	15.1
275.01819	9.4
276.02380	2.5
277.03348	4.5
281.04474	3.2
284.03131	4.1
285.03842	16.7
287.01813	8.2
287.05273	4.0
288.02722	2.2
289.03354	12.9
293.02908	15.8
297.03897	9.1
298.04648	6.2
299.02136	3.7
299.05469	15.9
301.03320	8.8
302.04138	23.4
303.04938	47.4
305.02863	5.1
310.04724	2.2
311.05423	4.3
312.06134	3.6
313.03378	7.4
313.06940	4.3
315.04953	2.8
317.02777	7.4
319.04169	2.3
326.04089	13.5
327.04926	24.0
331.04526	2.9
335.03818	9.5
337.03537	2.3
338.04086	4.7
339.04947	8.9
341.02930	2.5
343.04492	2.2
350.04129	5.3
351.04898	4.2
355.04587	2.6
356.05072	4.7
357.06058	7.3
359.04056	5.5
363.53076	2.4
367.04181	2.6
368.05243	6.6
369.05896	8.6
371.03830	3.0
373.05463	2.6
385.05475	6.2
386.06113	5.9
387.07059	5.2
389.05154	4.6
401.04950	3.1
403.06583	10.7
404.07309	8.8
405.08212	15.4
407.05310	2.7
419.05692	6.8
421.07767	3.9
422.08371	5.5
423.09076	4.5
437.06940	11.2
455.08139	14.9
497.09143	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	615.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01863	2.1
55.05507	28.1
57.03415	4.5
57.07057	7.6
63.14098	1.4
65.03924	1.8
67.05494	60.7
69.07058	31.4
71.04958	2.3
71.08630	7.3
71.43846	3.4
79.05479	34.2
81.07046	62.0
83.08617	16.9
85.06536	2.6
89.05981	1.9
91.05470	26.8
93.07030	44.3
95.04966	4.5
95.08005	3.3
95.08594	51.3
96.08927	1.6
97.06539	3.7
97.10139	10.4
99.08096	4.7
105.07021	26.9
107.04881	1.7
107.08580	25.9
109.10139	27.8
111.08103	4.2
111.11710	1.6
117.07014	6.0
119.08563	22.4
121.10130	22.8
123.08017	1.7
123.11697	12.9
125.09648	2.7
129.07007	3.2
131.08551	16.7
133.10120	20.7
135.11684	16.1
137.13249	3.7
143.08513	4.8
145.10098	16.1
147.11673	14.3
149.13280	8.3
151.11218	3.8
151.14819	1.8
157.10139	2.3
159.11702	10.4
161.13240	10.5
163.11174	2.5
163.14856	7.0
168.62651	1.4
171.11690	6.3
173.13261	6.1
175.14835	5.6
177.16386	2.7
185.13263	3.9
187.14828	5.6
189.16429	2.6
199.14900	2.2
201.16417	2.6
203.18094	1.9
213.14706	1.9
231.21124	1.6
243.21181	3.3
245.22661	2.4
247.20422	2.0
259.20615	5.4
261.22229	6.9
277.21609	8.7
287.23828	1.7
333.24191	1.7
335.25665	8.8
337.27423	12.4
339.28970	4.8
357.31540	1.8
523.44501	5.8
531.40656	2.4
541.46454	1.8
597.48523	8.6
598.50073	1.8
615.49701	100.0
616.50269	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	614.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71992	0.7
65.03918	2.0
66.04705	2.0
69.03423	1.1
69.64584	6.2
69.64916	1.0
70.06573	2.1
72.08128	0.9
79.05505	1.1
80.04982	0.7
81.03384	0.8
84.04492	0.7
84.08110	0.9
85.02901	1.0
86.09683	1.1
89.03895	1.1
90.04690	1.4
90.39620	0.9
91.05468	30.8
93.07020	2.7
95.04964	0.8
103.05462	17.0
105.03378	1.7
105.07010	0.8
118.04147	12.5
118.06506	2.7
119.04916	1.6
120.08094	13.1
121.02942	0.8
121.06471	1.0
128.39000	0.9
131.04907	6.6
135.04375	1.3
137.05922	0.9
146.06024	3.6
147.04381	4.4
148.07526	4.5
155.04953	1.5
157.86996	0.8
164.07036	2.7
175.03856	1.0
183.04417	1.2
192.06529	61.8
210.07588	55.6
211.03857	5.2
229.04933	2.7
240.17317	0.9
257.04428	35.4
261.03986	4.5
267.02979	1.7
271.06079	0.9
271.99231	1.0
273.03888	11.1
285.03903	100.0
297.03864	2.1
299.05478	4.7
301.02722	0.9
303.04977	3.7
323.05420	1.5
327.05017	6.6
339.04889	3.2
351.04855	2.0
354.11792	6.5
357.05792	0.9
369.06134	4.5
387.07053	3.0
405.07968	2.1
476.09805	1.1
494.10739	13.9
614.14954	5.1
628.98822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03931	1.6
53.63275	1.0
55.01855	3.0
55.05508	14.6
56.58050	1.2
57.03420	4.0
57.07067	4.5
65.03946	1.3
67.05496	28.3
67.84968	1.1
68.32750	1.1
69.07053	12.9
71.04996	1.3
71.08632	3.1
79.05487	15.9
81.07049	27.6
83.08601	8.8
85.06551	1.3
85.14261	1.0
91.05482	15.3
93.07025	18.4
94.07369	1.1
95.04975	2.5
95.08600	19.2
97.06577	1.3
97.10168	4.2
98.21503	1.7
99.08128	2.6
105.07025	16.5
107.08584	9.8
109.06488	1.1
109.10151	6.7
111.08037	1.2
117.06998	9.2
119.08563	21.4
121.10117	5.9
123.11670	2.6
128.06239	1.7
129.06998	5.0
131.08548	20.8
133.10098	12.8
135.11703	4.5
137.13307	1.5
141.07008	1.1
143.08549	9.8
145.10100	19.6
147.11662	7.0
149.13261	2.5
151.11130	1.7
155.08577	4.7
157.10104	9.3
158.10840	1.2
159.11711	9.1
161.13187	5.8
167.08534	1.4
169.10121	5.4
171.11668	5.8
173.13251	6.3
175.14819	6.1
181.10121	1.6
183.11711	3.8
185.13200	5.5
187.14816	7.1
189.16470	1.9
195.11778	2.1
197.13232	2.8
199.14841	4.9
201.16371	6.8
203.17871	1.4
209.13235	2.6
211.14877	3.3
211.81351	1.2
213.16461	3.8
215.18039	3.1
217.19545	2.0
225.16409	2.0
227.18056	2.1
227.20682	1.0
229.19514	1.6
231.21143	1.8
237.16431	2.2
239.17912	1.2
241.19684	1.9
243.20981	1.9
245.22662	1.8
257.18985	1.9
257.22629	1.7
267.21072	1.1
267.89032	1.1
271.24243	1.4
299.23651	1.6
377.28790	1.5
462.92905	1.4
465.37286	1.3
503.42291	2.6
521.43530	11.8
539.44989	6.1
543.40253	1.6
595.47070	9.7
613.48163	100.0
614.48743	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03925	2.1
53.53066	2.3
53.53312	1.7
55.01862	1.9
55.05504	24.3
57.03423	8.4
57.07051	6.4
66.74610	1.7
67.05137	3.5
67.05495	68.6
69.07060	27.2
69.56990	17.9
71.04971	2.4
71.08602	4.7
79.05479	36.3
81.07045	66.8
83.04990	2.6
83.08597	13.7
85.06536	3.7
88.34680	1.7
91.05463	35.0
91.06023	2.1
93.07026	45.3
93.07582	2.8
95.04953	6.0
95.08000	3.2
95.08597	48.1
97.06507	5.4
97.10147	5.6
97.64125	1.6
99.08076	3.4
105.07012	38.4
107.08572	19.6
109.06508	3.2
109.10128	17.6
111.08090	4.4
117.06995	13.7
119.08565	39.6
121.10123	19.1
123.08037	3.3
123.11694	6.8
125.09565	2.4
129.06998	7.0
131.08545	27.8
133.10107	29.7
135.11647	12.6
135.64673	2.0
143.08543	12.2
144.09332	1.9
145.10115	24.3
147.11656	25.4
148.29543	1.7
149.09625	2.3
149.13269	7.8
155.08571	1.9
157.10095	10.2
159.11668	19.6
159.69563	2.5
161.13211	15.4
163.11165	2.8
163.14822	2.8
169.10109	5.3
171.11687	8.5
173.13228	11.8
175.14751	9.5
183.11731	4.6
185.13277	8.8
187.14833	5.9
189.16389	2.0
197.13190	3.0
199.14778	6.3
201.16382	3.5
211.14941	2.6
213.16362	4.5
215.17969	2.7
225.16498	2.9
229.19473	2.6
231.21080	3.5
241.19597	8.7
243.20996	3.5
245.22636	2.1
257.18948	3.8
259.20544	22.9
277.21542	5.2
333.24207	11.1
335.25977	3.7
337.27231	12.8
451.35608	2.4
521.43628	10.5
539.45117	3.9
595.47266	9.1
613.48120	100.0
614.48413	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	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03933	3.3
55.05501	13.6
57.03419	3.6
57.07053	3.7
57.53048	0.8
65.03926	1.5
67.05491	36.6
69.07053	16.5
69.82635	5.7
71.04979	1.1
71.08621	1.9
79.05476	22.4
81.07043	32.9
83.04990	1.8
83.08622	8.7
85.06532	1.3
91.05463	18.1
93.07030	24.2
95.04946	3.1
95.08587	28.6
97.06525	2.6
97.10149	3.9
98.20705	1.9
99.08067	1.3
105.07009	21.8
107.08579	14.0
109.06519	1.3
109.10144	12.4
111.08067	1.7
111.11756	1.1
115.05444	1.0
117.06995	10.3
118.00365	0.9
119.08556	20.5
121.10126	11.7
123.11694	4.0
128.06218	1.3
129.06947	5.0
131.08539	18.5
133.10110	12.7
135.11652	6.7
137.13239	1.3
141.06923	1.4
142.34987	0.8
143.08534	8.4
145.10100	16.2
147.11662	9.5
149.13222	4.4
151.14755	1.1
155.08563	3.0
157.10106	6.0
159.08025	1.2
159.11664	11.8
161.13261	6.0
163.14877	1.7
169.10130	3.7
171.11667	5.8
173.13252	9.0
175.14806	4.1
181.10088	2.1
183.11740	3.9
185.13354	4.2
187.14790	4.5
189.16383	2.2
195.11673	1.5
197.13228	1.9
199.14821	2.9
201.16402	3.9
211.14789	2.5
213.16441	2.5
215.17964	1.7
217.19553	1.6
227.18001	1.6
229.19568	1.7
231.21103	1.1
241.19481	1.8
243.20984	2.1
245.22458	1.0
259.20624	2.8
261.22214	2.5
267.09848	0.9
275.20111	1.1
277.21603	1.2
287.23499	1.3
333.24280	2.5
335.25800	2.9
337.27490	1.7
383.33478	1.0
473.32077	1.2
489.36435	1.0
503.42767	1.8
521.43359	7.4
539.44788	3.8
543.40210	1.9
595.47186	9.3
613.48181	100.0
614.49152	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	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	2.9
54.48850	1.0
55.01858	1.6
55.05508	17.4
57.03433	5.5
57.07058	3.8
65.03930	1.9
67.05495	48.0
69.07058	15.8
71.04977	1.3
71.08616	3.9
71.21389	2.7
79.05483	27.0
81.07045	51.3
83.04963	1.7
83.08601	9.4
85.06538	2.0
91.05468	20.3
93.07034	35.2
95.04942	3.6
95.08591	46.0
97.06535	3.5
97.10148	5.8
99.08096	2.3
105.07011	22.3
107.07912	1.8
107.08585	23.3
109.06536	1.4
109.10147	22.1
111.08042	2.7
117.07001	7.7
119.08574	19.3
121.10126	19.8
123.11711	9.0
125.09599	1.6
129.06987	3.7
131.08545	15.3
133.10106	19.3
135.11673	14.5
137.13245	3.0
143.08504	5.5
145.10106	15.6
147.11668	12.3
149.09537	1.6
149.13264	9.6
151.11174	1.7
155.08592	2.2
157.10109	5.3
159.11664	11.8
161.13231	8.1
163.11232	1.8
163.14838	4.1
169.10179	1.3
171.11710	5.2
173.13243	9.6
175.14810	7.1
177.16394	1.8
179.14342	3.2
183.11650	2.7
185.13304	5.9
187.14859	6.8
189.16426	3.8
197.13239	2.1
199.14854	3.6
201.16423	3.3
203.17926	2.0
211.14812	1.4
213.16518	1.3
215.17944	2.3
227.17987	1.7
229.19431	1.5
231.21043	1.6
241.19496	3.2
243.21135	2.1
245.22562	1.6
257.18930	1.4
259.20605	5.2
261.22141	8.9
263.23645	1.6
273.22070	1.6
275.23657	1.4
277.21661	6.6
299.23688	2.1
303.83862	1.2
313.25055	1.4
317.24896	2.1
323.25732	1.3
333.24179	4.5
335.25720	11.4
337.27362	7.3
355.29968	1.8
357.27832	1.2
463.34042	1.3
503.37195	2.8
521.43622	4.6
531.40576	1.2
539.44562	2.7
543.40753	2.8
595.47052	8.6
596.47845	1.4
613.48212	100.0
614.48663	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	613.481
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
54.65812	2.8
55.05502	15.4
57.03426	4.3
57.07072	6.5
60.62164	2.6
61.23044	2.6
67.05494	36.9
69.07069	17.2
70.89441	9.8
71.08627	6.7
79.05481	23.4
81.07047	53.5
83.04910	3.2
83.08601	14.5
84.31164	2.7
84.57044	2.6
91.05457	18.0
93.07024	28.1
95.04906	3.7
95.08591	33.9
97.06542	3.7
97.10100	3.9
99.08088	4.6
105.07008	17.6
105.07619	3.0
107.08569	21.8
109.06509	12.3
109.10143	14.1
117.07034	7.5
119.08581	20.8
121.10148	14.5
123.11697	7.0
129.06935	4.5
131.08572	12.4
133.10110	17.0
135.11705	10.3
143.08586	9.8
145.10120	16.3
147.11684	9.8
149.13263	5.3
151.11166	4.4
157.10178	7.7
159.11702	10.8
161.13248	6.9
161.54538	3.3
169.10091	4.0
171.11671	6.6
173.13274	8.7
175.14899	4.2
179.14221	15.4
183.11626	4.6
185.13261	5.8
187.14812	4.6
197.13301	3.9
199.14810	5.3
259.20340	3.9
277.21640	7.5
281.81668	3.0
485.36429	3.1
521.43530	4.6
595.47345	8.3
613.48193	100.0
614.48431	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01854	2.6
55.05506	26.0
57.03424	2.3
57.07063	5.1
59.76514	1.6
65.03929	2.0
67.05495	52.6
69.07057	22.3
71.04988	2.7
71.08622	3.9
71.63103	3.7
79.05479	40.0
80.15679	1.7
81.03403	2.3
81.07045	80.6
83.04963	2.9
83.08607	13.7
85.06535	3.6
86.78112	1.7
91.05459	29.7
93.07028	35.1
95.04974	6.6
95.08597	37.9
97.06528	3.3
97.10167	6.9
97.42387	1.6
99.08099	3.2
105.07008	31.0
107.04943	2.8
107.08595	20.3
109.06506	12.9
109.10133	16.0
111.08086	2.4
115.05486	2.0
117.06998	9.2
119.08573	26.6
121.10138	16.3
123.11704	5.1
129.07005	7.8
131.08551	20.8
133.10109	20.4
135.11700	10.1
137.09573	2.6
137.13316	2.1
143.08571	8.5
145.10101	21.7
147.11658	16.5
149.09586	3.7
149.13266	7.9
151.11174	3.7
155.08632	3.2
157.10159	7.6
159.11633	14.8
161.13226	12.6
161.27965	1.6
163.11247	2.6
163.14847	3.8
165.12802	2.9
167.08565	1.8
169.10141	3.9
171.11708	9.1
173.13184	10.4
175.14873	5.4
179.14294	3.6
183.11629	2.9
185.13287	7.0
187.14853	5.3
197.13255	3.6
199.14876	2.8
201.16397	3.0
203.17966	2.3
209.13405	2.0
211.14786	2.7
213.16389	2.7
215.18073	2.0
220.31757	1.7
229.19530	2.8
239.18027	2.0
241.19601	9.6
257.19067	5.5
259.20581	15.2
275.20114	5.6
277.21701	7.7
289.21204	2.1
315.23547	2.2
333.24161	11.7
335.25900	3.1
337.27307	16.3
344.21155	2.0
400.67664	1.8
415.27054	1.9
501.35779	1.8
521.43811	5.8
595.45917	6.9
613.48199	100.0
614.48730	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	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03928	3.3
55.01860	0.9
55.05238	1.2
55.05503	20.3
57.03433	6.6
57.07057	3.2
57.93704	1.0
62.05461	0.9
64.34433	0.9
65.03921	2.3
65.20294	0.9
67.05493	56.1
69.07057	16.8
70.02926	1.8
70.03332	4.3
71.04966	2.4
71.08601	2.4
79.05480	32.9
81.07042	57.0
83.04960	2.4
83.08607	11.8
85.06530	2.2
91.05464	23.0
93.07027	41.1
95.04966	2.6
95.08589	49.8
97.06511	2.5
97.10169	4.9
105.07008	26.2
107.08577	26.8
109.10136	26.8
111.08092	1.9
111.11698	1.4
113.09724	1.0
117.07005	10.7
119.08560	25.7
121.10123	19.4
123.08054	1.1
123.11685	11.3
126.09618	0.9
129.06950	5.5
131.08542	16.6
133.10109	22.2
135.11670	16.3
137.13252	3.8
141.07004	1.6
143.08502	6.8
145.10101	18.6
147.11655	16.7
148.18932	1.0
149.13229	10.1
151.14755	2.1
155.08540	2.9
157.10121	7.0
159.11664	14.8
161.13257	9.0
163.14815	4.3
169.10141	2.3
171.11694	7.3
173.13249	12.6
175.14775	7.3
177.16328	1.8
179.14330	1.9
181.10097	1.5
183.11722	1.8
185.13199	6.7
187.14798	6.7
187.40694	1.0
189.16408	3.4
193.15900	1.3
197.13286	1.7
199.14839	4.4
201.16316	4.6
203.18076	1.3
211.14912	1.3
213.16400	2.9
215.17909	2.3
217.19565	1.5
231.21088	1.1
241.19545	3.7
243.21034	2.7
249.18559	1.1
259.20557	8.4
261.22107	12.6
263.23676	1.9
277.21677	2.9
279.23425	1.1
299.23883	1.4
309.24191	1.7
315.23300	1.1
317.24692	1.4
321.24295	1.3
333.24066	6.1
335.25726	17.8
337.27414	7.8
341.28119	1.7
355.30133	1.7
451.35999	1.1
489.35837	2.6
491.36996	1.2
503.36963	2.0
505.38303	1.2
517.38922	1.4
521.43854	6.0
521.50793	1.3
529.39093	1.5
539.44562	3.1
543.40497	2.1
591.79034	1.3
595.47198	13.7
613.48163	100.0
614.48859	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	613.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
51.02368	1.1
53.03941	4.0
55.01862	1.5
57.03434	0.6
65.03930	1.4
67.05507	1.1
69.03422	1.5
70.06590	1.1
71.01364	0.5
71.69878	0.7
71.70282	0.6
77.03919	1.3
78.04712	1.5
79.05475	2.4
80.12803	0.5
81.03397	3.0
81.07055	0.8
83.04941	0.7
84.08149	0.7
85.02899	1.7
87.04450	3.2
89.07162	0.6
91.05451	3.7
92.06239	0.5
93.07024	2.5
94.04183	0.6
95.04959	9.0
97.02894	1.4
103.05455	5.5
105.03375	72.0
105.04510	1.9
105.07010	4.7
106.03701	1.8
106.64639	0.4
107.04944	2.6
107.08643	0.4
109.02878	1.0
109.06493	1.4
111.04337	0.5
115.05438	2.2
117.06993	3.0
118.04173	0.7
119.04937	1.6
120.05686	1.1
121.06483	4.5
122.03617	1.5
123.04395	6.1
123.08063	0.5
123.97215	0.6
124.05196	2.0
125.05974	1.2
129.06923	1.1
131.04889	6.9
133.02823	1.4
133.06479	5.1
134.03670	0.7
135.08043	0.7
136.05122	0.9
137.05951	16.9
137.07016	1.1
138.06700	0.8
139.03909	0.6
142.02649	0.7
143.04912	0.8
144.05716	0.5
145.04971	0.8
145.06454	3.5
147.04405	1.3
147.08026	1.1
148.05153	2.4
149.05928	2.2
151.03886	18.0
151.04953	0.9
151.07521	1.9
152.04587	1.3
153.05412	2.1
153.09209	0.5
155.07095	0.5
160.05161	0.9
161.05984	6.0
162.06671	0.6
163.07504	5.9
165.05463	2.2
166.06219	1.6
167.07013	100.0
168.07338	3.2
171.06490	1.1
173.05937	4.0
175.03899	0.6
175.07448	2.8
175.48662	0.6
177.05405	1.7
179.07050	0.9
180.07759	1.0
181.04953	18.0
181.08565	35.5
183.04428	0.8
187.07524	1.4
189.09056	0.7
191.06992	23.4
192.07640	0.7
193.04961	0.7
193.08577	10.6
201.05424	1.4
203.06966	1.2
205.08578	3.6
207.06453	1.0
207.10075	1.2
208.07262	1.9
209.08014	2.0
211.03920	3.0
211.09584	2.6
217.08597	0.8
219.10123	1.2
223.09564	3.9
225.07561	2.0
226.08284	1.0
229.04922	1.4
233.08083	2.3
235.09650	1.2
239.03365	0.9
252.07405	0.6
257.04413	15.3
257.08490	0.7
258.04712	1.2
261.03873	1.8
263.09155	2.3
265.08450	0.7
267.02844	1.5
271.06012	1.2
273.03848	6.7
277.08350	0.7
285.03897	49.6
286.04208	3.9
295.09564	1.1
296.43414	0.5
297.03873	0.7
297.11191	0.8
299.05383	2.2
299.08505	0.5
303.04968	5.8
305.01834	0.5
307.09354	0.9
325.10388	0.6
327.04907	2.7
327.12280	1.1
337.10358	1.1
339.04794	1.6
343.08115	0.7
355.11658	2.4
357.13177	1.4
369.06000	2.5
369.13031	0.9
385.12653	2.2
385.16895	1.0
387.06998	1.2
387.14435	5.7
405.07977	1.4
407.07327	0.7
417.15192	2.0
493.11005	3.7
613.22894	4.5
619.66913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
55.01854	3.4
65.03919	5.8
67.05481	3.8
69.03411	4.3
69.94218	8.0
70.06582	7.8
72.08138	2.5
79.05470	4.8
81.03364	1.9
81.07059	2.8
82.04194	2.0
84.08119	3.2
85.02887	5.0
85.61046	1.3
86.09691	2.8
89.03908	3.3
91.05461	8.4
93.03406	2.1
95.04962	4.1
97.02875	3.9
97.06490	1.8
103.05441	7.2
105.03339	2.1
105.07012	4.6
107.04925	5.8
109.06474	4.0
110.03622	2.5
111.04436	3.6
115.05434	11.2
117.03345	3.2
117.06988	11.9
119.04906	2.9
121.02902	1.8
121.06520	2.4
122.03619	4.3
123.04410	3.8
125.05949	3.2
128.06219	3.7
129.06978	3.6
129.10222	1.4
130.06544	1.9
131.04901	11.4
132.05693	2.2
133.02835	2.4
133.06473	4.8
135.04385	3.1
137.05956	54.1
138.03107	1.7
141.07047	1.8
142.02667	1.6
143.04863	2.3
144.05695	3.4
144.08038	2.3
145.02827	22.9
145.06458	22.9
145.10103	2.0
146.53009	1.4
147.04399	2.9
147.07999	1.8
148.05150	2.8
149.05917	2.9
151.03870	18.8
151.04976	1.5
153.05460	5.8
155.05952	2.7
155.07045	1.8
156.05663	15.6
157.06445	3.1
158.07281	1.9
159.04388	1.9
159.07986	2.8
160.05165	20.3
161.05957	6.2
163.07536	5.1
165.05415	5.7
165.06839	2.1
166.06274	1.8
167.07002	16.9
171.04401	1.9
171.06505	5.5
171.07982	3.3
172.05153	1.5
172.07524	2.0
173.05971	20.9
174.06741	4.4
175.07527	23.9
177.05426	5.6
177.06871	2.0
178.07773	1.8
179.07054	2.2
179.08530	2.5
181.04924	100.0
184.05075	2.6
185.05835	1.9
187.07442	8.3
188.04684	2.4
189.05418	3.2
189.06996	3.4
189.09026	4.0
190.06219	3.8
190.08652	1.9
191.03358	16.1
191.06992	23.0
191.08562	2.4
192.07675	1.8
193.04977	3.2
195.06482	5.3
197.08107	3.0
199.07500	9.1
201.05386	3.0
202.06189	4.6
203.07001	18.3
203.08685	2.5
205.06458	4.4
205.08586	7.4
207.06433	4.2
207.08051	8.4
208.07240	3.6
209.06177	1.4
209.08089	4.9
211.03853	1.7
211.07445	2.6
213.05345	1.8
214.91061	1.5
215.06947	4.1
217.06468	3.1
217.08575	56.7
218.07283	2.0
219.08060	6.3
220.05174	6.1
221.05933	4.4
221.09674	2.2
222.06737	3.1
223.07635	2.3
224.08377	1.7
225.07478	20.5
225.09393	1.6
226.08290	1.8
229.04893	1.6
229.08539	2.4
233.05780	2.8
233.08000	30.1
234.06662	3.8
235.07509	29.2
235.09569	1.7
236.08228	3.7
237.05493	2.8
237.09044	4.8
241.08588	4.5
245.08142	5.1
246.06693	3.5
247.07523	6.6
247.09740	3.7
248.08357	2.9
249.05511	5.0
249.09126	6.0
251.07013	4.0
251.10674	1.9
252.07730	8.6
253.08621	4.6
256.07266	2.4
257.04410	9.9
261.09055	2.7
263.06934	30.8
263.09094	2.4
264.07703	6.6
265.08536	9.9
266.09369	2.7
267.10110	19.3
269.08072	5.0
271.09689	2.8
273.03949	5.4
275.06931	4.5
276.07803	1.4
277.05627	1.3
277.08542	6.7
278.09357	2.5
279.06754	2.9
279.10117	10.4
280.07294	3.3
280.10651	3.1
281.08121	2.8
281.11349	1.5
282.09000	2.0
283.09671	2.8
284.10062	1.6
285.03900	25.1
286.04263	2.2
291.06497	1.6
291.10046	2.1
292.07275	9.5
293.08090	4.4
293.11728	1.8
295.09567	20.3
296.10471	2.6
297.04153	3.3
297.08081	2.0
297.11151	8.2
298.04135	1.8
299.05847	2.0
299.09128	13.0
301.10690	7.2
303.04868	2.0
306.08957	2.8
307.09598	27.6
308.10458	3.3
309.11197	4.7
311.12677	7.1
312.10028	3.4
319.09393	1.9
323.12955	1.8
324.09775	2.7
325.10580	9.1
326.11514	3.8
327.04956	2.8
327.12180	14.9
337.10623	3.8
338.11411	2.2
339.12241	29.1
340.13013	2.0
341.13718	7.6
351.12015	3.8
353.13800	7.5
355.11734	17.9
357.06201	1.9
357.13223	8.0
363.11841	1.7
369.13254	20.1
371.14807	2.9
387.14331	31.9
409.12973	1.9
441.15472	8.9
565.20569	2.6
595.21698	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12399	0.8
53.03926	1.0
55.01852	3.3
55.05494	1.4
57.03416	1.3
61.02894	1.0
65.03924	5.7
66.04691	0.9
67.05488	3.9
69.03414	2.0
70.06580	11.4
71.69975	1.7
72.08140	3.3
79.05479	4.2
81.03384	1.5
81.07043	2.6
82.04160	2.3
84.04500	1.9
84.08122	3.0
85.02897	4.4
86.09688	4.1
91.05453	6.8
93.03391	2.2
93.07045	1.4
94.04164	2.8
95.04954	5.0
95.08591	1.0
97.02863	1.4
97.06509	2.7
102.04655	1.0
103.05431	9.8
105.03400	3.3
105.07008	1.9
107.04966	7.2
107.08535	1.0
108.02046	1.8
109.06491	5.2
110.03642	4.2
110.07139	1.2
111.04392	5.0
115.05427	9.8
116.06242	1.0
117.06995	9.2
118.04172	1.5
119.04921	2.6
120.08102	1.3
121.02829	1.9
121.06480	1.6
122.03625	5.4
123.04437	5.2
124.05188	1.2
125.05975	5.4
125.51139	1.1
128.06209	3.0
129.06952	4.6
129.10207	1.5
130.04172	1.4
131.04912	12.8
131.08536	2.1
132.05646	2.7
133.02831	4.1
133.06462	4.5
135.04422	1.4
135.08025	0.9
136.05199	1.1
137.05954	77.3
138.03119	1.1
140.04652	1.7
141.05283	1.1
141.07013	1.0
142.02586	1.2
143.04903	3.2
144.05661	5.2
145.02811	1.1
145.06459	21.2
145.10138	1.2
147.04338	3.1
147.08057	1.9
148.05165	3.7
149.05978	4.1
151.03885	30.5
151.04965	1.2
151.07567	3.9
153.05458	7.1
155.05975	1.4
156.05656	13.6
156.13805	1.0
157.06485	2.2
159.04315	1.1
159.08026	2.6
160.05180	16.0
161.05940	6.8
163.03906	2.1
163.07500	6.8
165.05476	7.9
165.06856	1.6
166.06287	1.1
167.07014	20.5
168.05721	1.4
169.06526	1.0
171.04364	1.0
171.06516	5.3
171.07925	1.9
172.05121	2.5
173.05954	19.1
173.09270	2.9
174.06734	5.4
175.03925	1.0
175.07516	25.9
176.04654	1.2
177.05418	5.0
178.07738	1.8
179.07115	1.2
179.08542	3.4
180.04201	1.9
180.07796	1.4
181.04926	100.0
182.05394	1.5
184.05243	2.1
185.05972	1.5
186.06766	1.1
187.07513	9.5
189.05447	2.9
189.06973	2.8
189.09091	3.1
190.06169	3.4
190.07727	1.3
191.06996	32.2
191.08527	1.9
193.04935	2.5
193.06551	1.1
193.08604	2.9
195.06505	4.8
197.05939	1.3
197.08041	1.3
198.06734	1.3
199.07515	7.6
201.05412	2.7
202.06201	4.2
203.07005	20.7
205.06487	4.4
205.08582	8.4
206.07219	2.6
207.06433	4.2
207.08127	5.3
207.09778	1.0
208.05421	1.2
208.07190	4.8
209.06137	1.3
209.08057	3.7
211.07549	2.3
213.05519	1.6
214.06219	1.2
215.06871	1.7
217.06607	2.7
217.08560	51.8
218.07249	2.0
219.08014	6.5
219.10043	1.9
220.05156	3.7
220.08861	1.4
221.05928	2.6
221.09636	2.4
222.06668	1.4
224.08339	2.3
225.05386	1.9
225.07475	19.2
225.09366	1.7
226.06206	2.0
226.08257	2.4
227.06934	1.5
229.08586	2.6
230.07251	1.0
231.08037	2.6
233.05907	3.1
233.08014	28.2
233.10242	1.5
234.06747	4.3
235.07495	27.3
235.09583	2.6
236.08209	3.0
237.05307	2.6
237.09036	5.6
239.06927	1.2
239.10617	1.9
240.07739	2.8
241.08516	6.4
245.08040	2.6
246.06795	1.5
247.07469	7.3
247.09706	3.5
248.08321	2.8
249.05444	3.1
249.09007	6.7
250.06192	2.1
251.06973	2.7
251.10680	2.8
252.07739	7.2
253.08597	3.5
254.09546	1.0
255.06427	1.5
256.07120	1.9
257.04523	1.4
261.09149	2.3
262.06250	2.5
262.09680	1.2
263.06870	25.0
263.09180	4.0
264.07767	8.6
265.08606	8.1
266.09171	1.2
267.10172	15.1
268.10806	1.2
269.08063	3.4
270.08743	1.3
271.09497	2.5
275.06967	2.8
276.07831	2.7
277.05142	1.7
277.08578	8.4
278.09436	2.2
279.06552	2.5
279.10114	10.7
280.07281	3.5
280.10562	2.3
281.08121	2.2
281.11615	2.2
282.08813	1.7
283.09625	2.8
285.03940	4.9
285.07092	1.0
289.08426	1.5
291.10046	3.9
292.07358	9.1
292.10406	1.9
293.08041	4.6
293.11652	2.6
294.08847	3.4
295.09583	14.2
296.10361	1.6
297.07870	1.7
297.11133	6.7
299.09113	15.3
299.12497	1.6
301.10669	12.2
307.09607	25.4
308.10254	1.6
309.07782	2.2
309.11191	5.0
311.09344	1.4
311.12613	5.0
312.09723	1.7
319.09396	1.6
321.11127	2.9
323.08954	1.3
323.12714	1.9
325.10443	6.8
326.11438	2.8
327.12186	12.0
329.13611	1.3
337.10638	3.8
338.11548	1.7
339.12234	30.4
340.12888	1.5
341.13943	7.0
351.12238	6.8
353.13730	5.2
355.11765	10.6
357.13333	11.1
369.13275	24.0
371.14890	3.6
379.11969	1.5
387.14319	40.1
388.14911	1.9
396.57617	0.9
397.12817	1.9
409.12610	2.6
411.14474	1.1
441.15292	5.6
523.08276	1.0
565.20807	1.3
595.21088	1.2
613.33954	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	613.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74055	2.9
53.03923	4.2
55.01855	7.2
57.97796	2.9
58.03622	3.3
65.03917	13.6
67.05494	7.6
68.48859	3.0
69.03417	6.0
69.07045	3.8
69.38699	7.5
69.39112	37.8
70.06575	14.7
71.01369	2.9
72.08125	9.3
77.04309	3.2
78.92000	3.6
79.05498	6.5
80.17630	3.4
81.07040	5.7
84.04519	4.0
84.08092	6.4
85.02901	10.1
86.09643	5.6
91.05447	9.5
93.03407	4.9
95.04950	6.8
97.02871	5.1
97.06505	4.8
103.05448	6.8
105.07003	5.3
107.04919	9.5
110.03605	11.2
111.04426	10.5
115.05449	9.5
117.06997	11.4
120.08078	4.4
121.02862	3.9
122.03583	3.6
123.04421	9.9
125.05973	9.6
128.06088	3.7
129.06956	9.6
130.04079	3.8
131.04895	7.5
131.08633	3.6
133.06374	3.7
137.05957	70.9
143.04942	3.9
144.05692	5.3
145.06445	22.6
147.04427	4.5
149.05949	7.2
151.03859	8.3
153.05449	24.1
155.07013	4.2
156.05663	15.5
156.13882	4.6
160.05164	15.8
161.05954	7.6
163.07501	5.3
165.05461	13.1
167.07034	31.5
171.06546	4.6
173.05914	22.2
175.07523	42.4
177.05402	5.6
179.07043	7.9
179.08549	8.1
181.04926	100.0
187.07495	21.3
188.08255	3.7
189.06950	3.9
190.06232	6.5
191.06987	8.0
193.04811	5.3
195.06493	6.2
199.07494	10.6
201.05464	4.2
202.06183	4.3
203.07010	22.3
205.06563	6.9
205.08560	9.5
207.06303	5.0
207.08015	7.4
208.07162	4.6
209.07886	3.7
211.07422	4.9
217.06606	2.9
217.08557	58.5
218.07306	4.0
219.08081	8.9
220.05133	8.0
221.05977	8.1
224.08240	4.5
225.07471	22.0
227.07080	4.0
231.08163	4.6
233.05952	6.7
233.08005	35.0
234.06628	9.0
235.07503	35.2
236.08339	4.9
237.09039	6.3
239.07059	5.7
240.07784	4.9
241.08559	13.4
247.07417	7.9
247.09619	5.0
249.05428	5.5
252.07695	8.2
253.08534	7.9
256.07303	4.7
263.06903	34.7
264.07791	15.7
265.08499	8.0
267.10138	31.3
269.08069	8.2
270.08694	3.6
271.09827	4.9
277.08542	12.7
278.28339	3.6
279.10104	16.6
280.07291	5.9
284.06708	3.8
285.03735	9.1
291.09964	4.5
292.07306	7.0
293.07959	6.1
295.09595	35.6
296.10449	4.1
297.11304	5.2
299.09085	38.2
300.09763	4.8
301.10690	36.6
307.09537	32.6
309.10965	8.4
311.12814	10.8
312.09677	5.5
321.10907	4.8
325.10727	10.4
327.12299	29.2
337.10632	5.8
339.12152	47.6
341.13879	8.9
351.12152	8.4
353.13742	6.1
355.11679	13.8
357.13235	15.6
369.13278	29.6
387.14462	36.8
460.78949	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	613.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45751	0.8
55.01865	1.9
56.13749	0.8
61.06866	0.9
65.03924	2.8
68.99780	5.3
70.06569	1.6
70.71201	2.6
70.71547	0.9
81.03403	1.9
81.70165	0.9
85.02896	4.7
91.05457	1.3
93.03375	2.9
95.04949	3.0
97.02843	4.3
107.04925	3.1
109.02860	2.8
111.04437	2.8
118.48645	0.9
119.04918	2.4
121.02842	100.0
122.03183	0.9
123.04422	2.6
131.04941	2.1
135.04393	3.4
137.05960	1.0
139.03941	2.1
147.04399	3.4
149.05956	1.1
151.03882	3.9
153.01852	1.6
157.06557	1.0
159.04416	2.2
161.05954	1.4
163.03886	19.1
165.01826	3.3
165.05382	1.0
171.04404	1.0
173.05952	1.9
175.03889	3.7
175.07651	1.0
177.01848	3.3
177.05482	3.7
179.03334	1.1
181.04941	2.3
183.02782	1.6
185.05864	1.4
187.03906	3.1
189.01852	2.0
189.05450	2.5
191.03354	2.8
193.04935	2.1
195.02853	7.2
197.06065	0.9
199.47432	0.8
201.05463	3.6
203.03419	4.3
203.07094	1.1
205.04912	6.0
207.02850	7.3
207.06628	0.8
213.05490	2.7
215.03444	2.8
217.04965	6.6
219.02867	8.4
221.04291	2.0
223.06052	1.9
225.03923	3.5
227.03447	1.4
228.11855	0.9
229.04912	5.3
231.02866	7.7
231.06566	1.4
233.04451	2.4
235.06024	2.5
237.03966	2.8
241.04944	1.8
243.02776	5.2
243.06361	1.3
245.04424	2.0
247.05998	4.6
249.03828	6.3
253.04822	1.0
255.02872	1.6
255.06425	1.3
257.04428	3.3
259.05927	6.8
261.03931	13.4
265.07053	2.2
269.04114	0.9
271.05957	4.7
273.03851	5.5
277.06906	1.7
283.06021	3.5
285.03986	8.1
291.04883	6.2
294.05286	1.3
295.05756	6.2
297.03793	1.8
297.07315	1.5
299.05630	1.5
300.83551	1.1
301.07077	2.6
303.04932	5.5
307.06027	4.7
308.06863	1.2
309.03799	1.2
313.07016	2.6
315.05103	2.2
319.08093	1.4
321.06714	1.7
325.06927	6.7
327.04852	5.1
337.06766	6.0
339.07263	7.8
343.08173	2.1
345.06036	2.0
349.06927	2.7
355.08041	3.7
357.05777	1.2
361.07263	1.9
363.07111	5.2
367.08209	1.8
369.06052	1.8
375.07092	2.6
379.07950	6.7
387.06744	2.4
391.07993	2.8
393.07986	4.1
397.09018	1.8
403.07864	2.2
405.08102	4.6
409.09265	5.8
421.09064	3.9
423.09213	5.0
427.10046	3.8
433.09286	3.4
439.10172	3.2
441.10275	7.4
445.10239	3.9
457.11194	12.7
459.11407	1.2
463.09937	4.0
475.12085	4.8
481.11044	4.7
493.11053	3.0
499.12567	1.3
505.10873	1.5
511.12360	7.8
523.11920	3.2
541.13171	3.8
559.14417	2.7
577.15692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01856	2.3
55.05502	16.8
57.03436	4.1
57.07064	3.1
65.03930	1.3
67.05493	28.9
69.07058	14.3
69.49449	5.1
71.04975	2.1
71.08624	2.1
71.78008	0.5
77.03914	0.7
79.05479	18.1
81.03426	0.9
81.07040	30.3
83.04975	1.6
83.08604	8.2
84.73505	0.5
85.06532	1.5
85.10149	0.8
91.05461	15.8
93.07026	18.4
95.01334	0.7
95.04951	3.0
95.08588	22.6
97.06530	3.1
97.10139	3.9
98.04907	0.5
99.08068	1.3
105.07010	18.4
105.07713	1.0
106.07342	0.8
107.05005	0.7
107.08578	12.4
109.06491	1.4
109.10133	9.9
111.08051	1.5
111.11712	0.7
112.10232	0.5
113.09613	0.7
115.05394	1.0
117.07004	9.8
119.08556	15.3
121.06464	0.7
121.10110	8.0
123.08038	1.4
123.11713	2.5
125.09625	1.9
128.06233	2.1
129.06978	9.6
129.07851	0.9
130.07808	0.9
131.08540	19.8
133.09154	0.4
133.10100	11.0
135.08058	0.8
135.11676	5.5
137.09563	1.2
141.06935	4.4
142.07724	2.6
143.08537	16.1
144.09291	0.8
145.10101	18.2
145.11218	1.1
146.10468	0.6
147.04381	1.0
147.11661	6.5
149.09633	1.8
149.13239	3.3
151.11206	0.7
151.14688	0.8
153.06960	0.9
154.07767	0.9
155.08536	10.1
156.09381	1.3
157.10107	14.9
159.11673	13.7
159.12958	0.9
160.12051	0.6
161.13251	4.4
163.11137	1.2
163.14833	1.5
165.06999	0.9
165.16396	0.6
167.08546	2.5
168.09239	0.8
169.10085	12.1
171.10226	0.9
171.11658	12.8
171.13043	0.8
173.13246	7.7
175.14844	2.4
177.16364	0.6
179.08595	0.9
179.14328	1.1
181.10094	4.7
182.10857	1.0
183.11662	10.8
185.09605	0.6
185.13219	10.7
186.13742	0.8
187.14798	5.0
189.16389	2.1
191.14465	0.6
193.10135	1.2
193.35751	0.5
195.11632	4.9
197.13200	7.2
199.13086	0.9
199.14798	7.6
201.16324	3.9
203.17944	1.1
207.11751	2.3
209.13239	4.3
211.14789	5.5
212.01576	0.6
213.16371	4.6
215.17935	3.2
217.19598	1.1
219.11710	0.7
221.13257	1.9
223.14737	2.9
225.16388	4.7
227.14377	0.7
227.18059	4.1
229.19418	2.7
233.19049	0.6
235.14787	1.5
237.16400	2.1
239.17906	3.4
241.15677	0.5
241.19528	2.3
243.17352	0.7
243.21155	1.7
249.16418	1.1
251.17978	1.8
253.19382	2.5
255.17325	0.8
255.21071	1.5
257.19070	1.7
257.22665	0.7
259.13300	0.9
259.20517	0.8
261.22049	1.1
263.17981	0.8
265.19571	1.4
267.21121	1.4
269.22665	1.6
275.20132	2.6
275.23041	0.5
277.21527	0.7
279.21146	1.0
281.18951	0.6
281.22495	0.6
283.20612	0.9
283.24194	0.9
291.21164	0.6
293.22452	0.9
295.24078	0.7
297.21964	0.8
307.24228	0.8
309.22101	0.8
311.23700	1.2
313.21606	0.7
323.23709	1.2
325.21680	0.7
325.25232	1.2
327.23077	1.0
335.25919	0.9
337.27316	0.7
339.26938	2.0
343.26355	0.6
353.24603	0.9
353.28452	2.0
365.28397	0.7
367.29962	1.5
369.27887	0.7
381.31653	0.9
391.29800	0.6
393.31674	1.1
395.33319	0.8
407.33249	1.2
409.34970	0.9
417.31699	0.7
419.33279	0.8
423.32434	0.8
425.34360	0.6
435.32144	1.0
437.33893	0.8
439.35956	1.0
449.34177	1.6
451.35580	1.0
463.35825	0.6
501.41064	3.0
517.38977	0.7
519.41974	13.3
527.36871	0.7
529.39093	0.6
537.43018	10.0
541.38599	1.1
555.43188	0.8
557.43921	0.8
575.44543	2.3
593.45581	14.8
594.45972	1.3
611.46582	100.0
612.46930	4.6
631.19366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
51.75392	0.7
53.03928	1.9
55.01866	1.9
55.05502	14.1
57.03431	4.6
57.07059	4.9
67.05495	29.7
69.03390	1.5
69.07051	16.4
70.05582	4.7
71.04961	1.9
71.08605	2.7
79.05485	15.7
80.05817	0.9
81.03393	1.8
81.06551	1.2
81.07040	24.8
83.04971	1.3
83.08607	7.1
85.06546	1.6
85.10171	1.0
89.04956	0.8
91.05464	14.1
93.06435	1.0
93.07024	20.3
93.07586	1.5
95.04960	2.9
95.08591	23.2
97.06519	2.2
97.10140	4.5
98.99380	0.8
99.08075	1.6
105.07014	16.5
107.08566	12.6
109.06514	1.5
109.10137	9.9
111.08088	1.5
117.06986	9.7
119.08559	15.1
121.10112	8.6
121.28369	1.0
123.08054	1.5
123.11701	2.7
125.09612	2.5
128.06206	2.0
129.06982	9.5
131.08560	18.9
132.08934	0.8
133.10109	10.5
135.11670	4.8
137.13263	1.0
141.06999	3.5
142.07738	2.5
143.08536	16.4
145.10107	18.1
147.11667	5.3
149.09589	1.1
149.13205	2.1
153.06915	1.3
154.07788	1.4
155.08510	8.4
156.09296	1.5
157.10126	15.0
159.11673	12.1
161.13292	3.8
163.11197	1.1
163.14909	1.0
167.08553	3.5
168.09364	1.0
169.10112	10.9
171.11662	11.0
173.11816	1.4
173.13222	8.6
175.14838	2.9
177.16388	1.4
179.08470	1.2
181.10139	2.9
182.10870	1.1
183.11656	9.1
185.13235	8.1
187.14801	4.9
189.16391	2.6
193.10304	1.0
195.11653	4.4
197.13202	6.7
199.14778	6.5
201.16432	3.5
207.11739	1.6
209.13297	3.1
211.14793	5.3
213.16360	5.6
215.18002	2.3
221.13312	1.3
223.14812	3.2
225.16368	5.1
227.17996	3.7
229.19424	1.9
233.13226	1.4
235.14822	1.1
239.17953	3.0
241.19545	2.5
243.21106	1.6
251.18074	1.2
253.19449	1.6
255.17322	1.2
255.21255	1.6
257.22684	1.1
275.20187	2.3
279.21127	1.5
281.22446	0.9
297.22165	1.3
297.94556	0.8
299.23746	1.0
301.21579	0.9
323.23654	1.1
339.26901	0.9
353.28424	1.7
367.30200	1.8
381.58121	0.9
383.22156	1.0
395.33218	1.7
421.35095	1.1
423.32281	1.0
431.32974	1.3
435.32684	1.2
449.34412	0.9
451.35626	1.3
476.76169	1.0
501.41269	1.7
519.41870	15.5
537.42999	7.5
541.38800	1.9
575.44659	1.3
593.45471	11.2
611.46625	100.0
612.46808	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	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.3
53.03929	4.0
55.01865	1.7
55.05504	21.7
57.03432	4.8
57.07060	3.1
61.30955	0.9
62.19296	0.9
65.03917	2.2
67.05495	51.1
69.07059	19.3
71.04955	2.5
79.05482	35.0
79.71064	0.9
81.07043	51.5
83.04966	1.7
83.08603	9.4
83.21149	0.9
85.06525	2.8
89.93152	0.8
91.05469	35.0
91.06042	1.7
93.07028	42.6
95.04952	3.9
95.08591	41.6
95.09204	2.2
97.06511	4.1
97.10146	4.4
105.07018	29.1
107.08574	24.7
109.06510	1.8
109.10141	18.8
111.08073	1.6
111.11751	1.2
115.05447	2.9
117.07007	16.2
119.08556	34.5
121.10126	20.3
123.08023	1.4
123.11703	4.7
125.09657	1.4
127.11258	1.0
128.06206	2.7
129.06985	11.7
130.07693	1.3
131.08549	28.3
133.10106	23.7
134.10464	1.5
135.08005	1.6
135.11687	10.8
137.00789	1.1
137.13237	1.8
141.06960	3.5
142.07800	2.7
143.08533	14.2
144.09241	1.3
145.10100	26.7
147.11667	20.2
149.13239	8.3
151.11238	1.1
151.14841	1.3
155.08528	5.7
157.10100	14.5
159.11687	16.5
161.13239	16.0
163.11079	1.1
163.14806	3.7
167.08545	2.1
168.09380	1.4
169.10129	9.4
171.11661	14.7
173.13237	15.6
175.14774	7.3
177.16325	1.5
179.08640	1.0
181.10077	4.5
182.10893	1.0
183.11655	8.2
185.13239	12.7
187.14803	8.6
187.16257	1.3
189.16336	1.2
195.11722	3.3
197.13199	6.5
199.14818	8.4
201.16312	5.9
202.37495	0.9
207.11635	1.1
209.13284	3.1
211.14806	4.6
213.16458	6.1
215.17947	3.3
221.13245	1.4
223.14780	1.6
225.00636	1.0
225.16385	2.7
227.17973	3.4
229.19508	1.6
231.17390	1.2
231.21043	1.4
237.16393	2.9
239.17909	1.9
241.19595	8.4
243.21057	1.9
257.18906	3.5
259.20560	17.3
261.22089	4.0
267.21191	1.7
271.20667	1.1
275.20126	1.1
297.22012	1.9
311.23532	1.7
313.25269	1.1
315.23123	1.8
315.26688	1.0
323.23669	2.0
327.23401	1.2
333.24127	9.8
335.25772	14.8
353.28448	2.0
393.96823	1.1
395.29419	1.4
449.34299	1.4
519.41925	8.3
520.93958	1.2
537.43097	4.4
541.38696	3.0
593.45618	8.1
611.46582	100.0
612.46887	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01844	2.4
55.05501	20.7
57.03419	4.6
57.07050	3.4
64.71790	1.4
65.03929	2.9
67.05491	47.5
69.07050	14.4
69.69736	2.3
69.70148	7.1
75.13257	1.1
79.05479	34.7
81.07042	40.9
83.04944	2.0
83.08612	7.7
85.06516	1.8
91.05461	34.7
91.63537	1.1
93.07026	33.0
95.04944	5.1
95.08588	29.3
97.06524	2.9
97.10145	3.3
99.08060	1.8
103.05453	1.8
105.07010	31.3
107.08568	22.0
109.10124	11.8
115.05412	2.1
117.06992	13.2
119.08553	26.0
121.10108	14.1
123.08078	1.4
123.11691	4.2
125.09581	1.2
128.06203	2.3
129.06958	14.0
130.07747	1.2
131.08545	21.8
133.10101	18.6
135.11665	11.3
141.06918	3.0
142.07776	2.4
143.08522	13.0
145.10097	17.6
147.11659	15.8
149.13216	5.7
149.95296	1.2
154.07784	1.2
155.08524	5.8
156.09193	1.2
157.10089	11.6
159.11646	14.4
160.17206	1.1
161.13255	9.5
161.30899	1.2
163.14799	2.2
168.09361	1.4
169.10115	6.5
171.11667	10.0
173.13229	9.1
175.14816	5.8
176.15366	1.1
181.10085	2.0
183.11690	6.4
185.13242	5.5
187.14806	6.0
191.18005	1.7
195.11668	2.1
197.13271	5.0
199.14824	4.8
201.16405	3.4
203.17880	1.3
207.11760	1.2
209.13286	1.4
211.14818	3.7
213.16408	2.7
215.18002	2.3
217.19702	1.1
225.16330	2.4
227.18164	1.9
229.19446	1.3
239.18022	1.9
241.19580	6.6
257.19055	4.4
259.20526	15.5
261.22098	3.2
275.20187	1.4
285.22141	1.6
313.25479	1.6
331.22818	1.5
333.24194	12.2
335.25778	18.5
335.29709	1.6
353.28186	1.4
519.41986	8.1
537.42902	5.1
541.39142	1.4
593.45642	10.1
599.95111	1.3
611.46576	100.0
612.46826	9.4
631.93225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.01864	2.6
55.05505	32.0
57.03429	11.2
57.07066	4.3
60.09474	1.1
63.96956	1.0
63.97356	1.0
65.03931	4.8
65.62442	1.0
67.05497	76.9
69.07056	28.6
71.04988	2.3
71.08624	1.6
71.43208	1.3
71.43544	2.1
72.81181	1.1
79.05482	60.1
81.03371	1.4
81.07045	73.3
83.04957	2.9
83.08602	9.7
85.06528	2.9
88.83641	1.2
91.05470	63.8
92.05827	1.1
93.07031	65.3
95.04964	9.4
95.08595	49.8
97.06517	4.4
97.10165	5.2
99.08058	2.0
103.05453	1.4
105.04505	1.4
105.07018	57.7
107.08581	30.5
109.06520	1.5
109.10150	21.0
111.08086	1.6
115.05444	4.0
116.06168	1.4
117.06995	21.3
119.08566	46.1
121.06538	1.5
121.10124	23.3
123.08010	1.4
123.11713	4.5
128.06184	3.7
129.06982	20.4
130.07767	2.7
131.08543	35.7
133.10118	30.9
133.11124	1.8
135.08072	1.4
135.11679	15.1
137.13292	2.1
139.11214	1.5
141.06953	4.3
142.07765	3.0
143.08545	22.4
143.21222	1.1
144.09363	2.7
145.10100	30.4
147.11664	20.4
149.09612	1.5
149.13248	7.4
155.08531	10.5
156.09328	3.1
157.10101	19.3
159.11668	20.9
161.09683	1.5
161.13235	14.6
163.14754	3.3
167.08525	2.1
168.09320	1.9
169.10083	9.2
171.11664	17.2
173.13246	13.6
175.14871	5.4
181.10129	3.5
182.10936	1.2
183.11676	11.8
185.13208	12.7
187.14818	7.7
189.16356	2.9
191.14378	1.4
195.11694	3.3
197.13254	5.6
199.14856	7.5
201.16406	3.3
203.17986	2.0
207.11647	1.4
209.13271	3.6
211.14848	4.8
213.16426	3.8
215.17969	2.7
223.14880	2.9
225.16431	2.3
227.18065	1.3
231.21089	3.3
237.16403	1.7
239.17950	2.0
241.19580	8.7
243.21088	2.3
253.19501	1.5
257.19000	2.2
259.17700	1.7
259.20517	17.4
261.22083	2.9
275.19998	1.5
299.18982	1.5
315.23218	2.7
325.25214	2.6
333.24173	11.9
335.25781	21.6
337.27554	1.7
369.28384	1.6
377.27814	1.2
437.33881	1.3
501.41293	2.3
519.41864	7.6
529.38190	1.4
537.42731	3.7
593.45361	7.8
611.46613	100.0
612.47034	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	611.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20733	1.2
52.83070	1.1
53.03930	2.5
55.01860	2.5
55.05503	12.0
57.03426	4.0
57.07061	2.3
67.05490	17.0
69.03418	6.8
69.07053	20.0
69.83817	8.4
69.87596	1.2
70.06577	4.5
71.04981	3.5
72.08122	1.7
73.02914	1.9
75.43285	1.1
78.04702	1.6
79.05480	9.9
81.03410	5.9
81.07050	20.3
83.04964	2.2
83.08608	12.1
84.08152	2.0
85.02882	8.7
85.06519	2.0
86.09695	2.2
87.00794	2.2
91.05404	6.0
93.07027	11.1
95.04957	2.0
95.08595	23.1
95.73746	1.2
97.02882	6.5
97.06514	4.1
97.10147	11.0
98.20757	1.6
99.04412	3.1
105.01847	2.5
105.07019	6.3
107.04964	2.1
107.08543	5.9
109.02872	5.2
109.10136	11.8
110.07145	1.4
111.08029	1.6
111.11705	5.6
117.06986	1.2
119.08563	6.6
121.06417	1.3
121.10107	9.0
122.03674	1.2
123.04431	1.7
123.11692	4.6
125.05859	1.4
125.09648	2.1
127.03899	9.0
129.10219	2.1
133.10056	8.3
135.04510	1.3
135.11699	10.0
137.05972	7.4
137.09596	1.7
137.13223	2.1
139.11151	3.0
145.04903	1.9
145.06409	1.5
147.11682	6.1
149.05927	2.0
149.13219	2.4
151.03847	3.0
151.14812	1.8
153.12706	2.5
161.13222	3.0
165.05467	1.3
165.12740	2.6
167.05693	1.2
167.07016	22.0
175.14816	2.1
181.04863	6.1
191.06967	2.0
193.08495	2.3
207.06622	1.3
209.08110	2.1
217.19446	8.5
231.04762	1.6
235.20538	10.2
253.21559	8.9
261.48849	1.2
309.24265	3.8
311.05264	1.3
327.25244	100.0
328.25455	3.3
345.26379	13.6
383.15039	1.3
385.12576	1.7
394.14371	1.7
459.93713	1.4
534.52118	1.4
593.31024	1.7
612.22748	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	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03929	0.3
55.05500	0.3
55.07375	0.2
57.03427	1.7
61.02913	0.4
65.03909	0.2
68.99783	0.4
69.03421	1.0
70.13860	0.2
71.04985	10.6
71.14799	0.4
71.15148	0.2
73.02882	0.3
75.04474	0.4
75.59340	0.2
81.03387	0.7
83.04967	0.5
85.02895	14.0
87.04461	0.5
93.03377	0.3
97.02875	1.3
109.02855	0.7
111.00745	0.5
111.04449	0.3
121.02824	0.7
127.03922	0.9
129.05461	3.6
137.02328	2.5
145.04938	0.8
147.06491	1.0
149.02316	0.4
153.01805	2.8
163.03860	0.4
165.01814	1.8
173.05901	0.3
182.44969	0.2
183.02861	0.8
183.04346	0.2
201.05443	1.3
219.02960	0.3
219.06514	0.3
222.91676	0.2
229.04958	2.9
247.06010	0.6
257.04398	2.2
261.68063	0.2
274.04709	0.7
285.03992	1.0
303.04950	100.0
304.05334	1.9
345.05872	0.3
358.31030	0.2
465.10660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15156	0.3
53.03917	0.5
55.01868	0.5
55.05487	0.5
57.03421	2.1
61.02908	0.9
67.05495	0.6
68.99757	0.4
69.03402	1.5
70.06570	2.0
71.04978	13.1
71.70592	0.5
72.08096	0.4
73.02897	0.6
75.04460	0.7
75.68959	0.3
81.03393	1.1
83.04951	1.1
84.04504	0.4
84.08131	0.4
85.02890	19.4
86.09705	0.4
87.04465	0.8
91.05749	0.3
93.66381	0.3
95.04955	0.5
97.02882	1.9
97.06505	2.1
99.04454	0.4
107.04931	0.4
109.02827	0.4
109.06559	0.3
110.07114	0.4
111.00802	0.4
111.04446	0.6
119.04971	0.4
120.08125	0.4
121.02841	0.9
127.03886	1.0
129.05467	3.9
131.08562	0.5
137.02313	2.9
137.05992	0.7
145.04939	0.8
147.06523	0.5
153.01787	3.2
155.04898	0.4
163.03908	0.7
165.01784	1.5
183.02914	0.8
187.03944	0.5
195.02919	0.5
195.13742	0.6
201.05408	1.6
213.14748	0.6
219.06503	0.5
228.04277	0.4
229.04961	3.8
247.06114	0.6
257.04446	2.7
273.09824	0.4
274.04642	0.6
275.05286	0.3
285.03827	1.4
287.05475	0.9
287.18451	1.9
303.04938	100.0
304.05264	1.9
307.79077	0.4
315.04813	0.4
329.06735	0.6
345.06155	0.6
449.11023	0.7
465.10278	0.7
611.21033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.9
68.99788	1.3
69.03394	1.6
70.06590	1.3
70.67461	3.8
73.79969	1.1
81.03394	2.6
81.30952	1.1
85.02901	7.7
93.03412	1.3
103.03957	2.1
107.04945	2.5
109.02863	3.4
111.04421	1.3
121.02861	3.3
123.04416	2.1
135.04433	7.7
137.02321	33.5
137.03371	2.6
139.03882	1.3
147.04453	1.9
159.04417	1.6
161.02310	5.0
163.03867	3.0
165.01767	1.7
175.03828	1.8
177.01839	3.2
179.03406	4.3
181.04935	2.5
187.03896	2.9
187.53621	1.1
189.01811	8.0
189.05391	1.6
190.02585	1.3
191.03285	6.0
195.02850	8.3
201.01649	1.7
201.05457	2.0
203.03377	12.3
205.04898	2.8
207.02888	10.0
208.03642	1.3
213.05498	2.6
215.03329	3.0
217.04898	4.1
219.02870	6.0
219.06679	1.7
221.04428	4.0
227.03278	1.6
229.04915	5.8
231.02953	1.6
233.04424	3.3
243.02669	1.5
245.04375	1.9
249.37042	1.6
253.04961	1.6
255.02823	3.2
257.04449	2.7
267.06451	2.2
273.03860	2.0
283.05945	5.2
284.06677	6.2
285.03873	3.5
295.06039	4.7
296.06775	2.1
297.07336	6.2
298.04654	1.6
299.05362	9.6
300.06378	2.5
307.05984	2.5
308.06647	1.8
309.07486	5.7
310.04709	22.2
311.05447	79.5
312.06165	8.6
313.07062	9.3
321.07700	1.7
323.05457	45.7
324.06210	20.2
325.07004	19.7
327.04834	1.6
329.06418	8.2
335.05524	8.5
336.06204	5.6
337.06995	31.1
338.07736	10.7
339.04871	4.0
339.08664	6.6
341.06506	100.0
342.06757	4.1
345.07544	1.5
349.07062	10.7
350.07864	2.2
351.04901	2.1
351.08582	15.6
352.05655	2.2
353.06503	67.9
353.09903	2.5
355.08035	2.4
361.06891	1.7
363.04782	1.8
363.08661	10.6
365.06479	34.0
366.06815	3.1
367.08060	21.6
371.07602	18.5
375.08279	1.5
377.06290	20.3
378.07040	1.9
379.08234	5.6
381.06204	1.5
381.09824	12.4
383.07471	5.1
389.06482	7.8
390.07309	3.4
391.08139	12.8
393.10153	1.5
395.07568	58.2
401.06561	2.7
403.08075	2.6
405.09521	4.9
407.07529	30.2
409.08981	2.7
413.08792	2.1
415.08020	1.6
417.09485	2.7
419.07489	25.6
425.08597	40.5
431.08508	5.0
433.08981	3.3
437.08594	21.4
443.09714	39.8
445.08542	1.6
449.08853	4.8
455.09662	27.5
461.09317	5.3
473.10751	86.1
474.10776	3.1
479.09576	4.3
485.08923	1.6
491.11890	18.4
497.10754	28.4
498.10675	1.6
503.09906	2.0
509.10718	3.5
515.11823	19.3
521.10736	6.6
527.11816	23.6
539.11749	28.2
545.12738	8.0
557.12799	26.3
575.13910	19.6
593.14752	9.2
611.16217	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71687	4.6
61.02896	5.3
69.03407	3.6
70.06592	3.3
81.03392	8.1
85.02901	10.6
91.05795	4.5
93.03410	4.3
110.07153	5.1
110.95204	3.4
111.04419	3.7
135.04398	16.1
137.02306	60.3
161.02338	6.2
161.05873	3.7
164.36942	4.1
179.03380	5.1
181.05077	3.9
185.11710	3.6
189.01796	9.4
195.02882	12.2
203.03337	9.0
205.04875	5.3
207.02882	11.6
217.05038	9.6
219.02872	13.3
221.04515	4.3
229.04941	6.5
231.02821	7.9
233.04477	5.0
241.04997	5.2
257.04471	10.3
261.03949	9.0
269.04276	4.5
271.05814	7.6
273.03906	14.1
284.06683	5.4
285.03909	9.0
287.05414	6.8
295.05972	8.1
297.03857	5.0
297.07565	10.1
299.05591	15.7
303.04858	9.4
307.06598	4.6
310.04517	20.7
311.05389	75.5
311.08701	5.4
312.06210	11.4
313.07086	12.4
323.05417	50.9
324.06345	22.9
325.03503	5.1
325.07010	13.3
329.06390	19.7
337.07053	21.8
338.07657	11.9
339.04706	6.5
339.08658	6.6
341.06488	100.0
351.08618	12.4
353.06503	56.7
360.56119	4.4
363.08472	10.5
365.06406	31.3
367.08197	25.2
371.07574	20.7
371.11972	4.5
377.06372	15.5
381.09619	12.2
383.07364	7.7
387.07431	4.6
391.07986	12.4
395.07526	47.3
407.07535	27.6
413.08905	4.3
419.07681	22.7
425.08600	35.7
431.10617	9.2
437.08752	27.9
443.09592	32.9
448.12350	5.7
449.12042	23.2
455.09729	29.7
461.09637	13.0
473.10785	92.6
479.10107	6.0
491.11914	18.9
497.10629	31.0
515.11566	13.3
521.10449	9.2
527.11908	24.7
539.11835	27.2
545.12653	6.3
557.12848	30.2
575.13788	20.1
593.14874	8.5
611.16754	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	609.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03932	6.7
55.01865	9.2
55.05502	31.2
57.03423	6.1
57.03667	1.1
57.07061	3.1
60.23190	0.8
65.03927	6.1
67.05495	76.2
69.03419	2.0
69.07055	27.5
70.07155	3.5
70.07582	1.9
71.04978	4.1
71.08622	1.5
78.08204	0.8
79.05481	75.7
81.03403	3.6
81.07043	87.3
83.04984	5.6
83.08605	12.5
85.06549	2.2
91.05461	58.2
93.07030	63.7
95.01337	1.5
95.04959	13.0
95.08589	50.5
97.06509	13.2
97.10133	5.7
99.08060	2.1
103.05473	1.5
105.04525	2.9
105.07016	52.4
107.04936	11.4
107.08574	41.3
109.06499	15.0
109.10144	18.8
111.08080	2.7
113.09634	1.2
115.05436	2.5
116.06248	0.9
117.07002	21.1
119.08561	39.4
121.06521	2.6
121.10134	26.5
123.08055	3.3
123.11667	5.0
125.09621	3.8
128.06151	1.9
129.06989	12.3
130.07811	2.2
131.08545	28.4
133.06497	1.0
133.10103	31.5
135.08025	4.7
135.11670	13.4
137.09601	3.1
137.13222	1.0
141.06956	4.6
142.07774	2.9
143.08534	13.5
144.20503	1.0
145.10095	46.0
147.08076	1.1
147.11673	19.5
149.09596	13.6
149.13240	8.7
151.11179	3.3
153.12662	1.0
154.07764	1.7
155.08536	7.9
156.09274	1.0
157.10112	12.0
159.08015	1.4
159.11665	18.8
161.09601	2.4
161.13243	7.4
163.11179	7.8
163.14804	3.0
165.08992	1.0
165.12752	2.6
167.08531	2.1
169.10109	9.8
171.11652	12.7
171.13052	1.2
173.09648	1.8
173.11803	1.8
173.13191	10.8
173.14600	1.1
175.11235	1.4
175.14870	2.4
177.12785	2.7
179.08553	1.6
179.14319	4.5
181.10127	4.6
181.12225	1.2
183.11682	12.6
185.13205	5.5
187.11098	1.7
187.14818	3.3
189.11203	2.2
189.12732	2.0
191.14336	1.2
193.10144	1.4
193.12083	1.2
195.11719	3.9
197.13199	7.3
199.14818	2.8
201.12790	1.6
203.18010	1.1
209.13292	3.7
211.14854	5.6
213.16490	1.3
215.18025	1.5
217.02197	1.0
217.15730	1.0
219.17441	0.9
221.13300	1.5
223.14803	2.2
223.33064	0.9
225.16389	2.3
227.18169	1.2
229.19438	4.8
237.16444	2.8
239.17967	7.4
241.19592	1.7
243.21051	1.6
247.20557	5.5
249.16397	1.6
253.19505	1.6
257.18933	16.7
259.20538	1.5
261.22183	3.9
262.49442	1.0
267.20938	1.3
275.20026	64.5
276.20270	1.0
277.21695	2.7
293.21173	4.1
313.21625	1.9
317.24683	1.2
331.22504	5.7
333.24344	1.0
335.25888	8.5
343.26212	1.2
349.23865	1.7
517.40399	3.0
535.41400	3.7
553.42322	2.4
573.42865	0.9
591.44061	4.8
609.45032	100.0
610.45428	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	609.4501
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03930	1.9
55.01869	1.6
55.05497	16.1
57.03428	3.2
57.07060	2.4
67.05492	26.1
69.07059	13.4
69.34894	10.1
69.35307	3.5
71.04988	1.7
74.26782	1.0
79.05477	14.7
79.28938	1.0
81.07045	27.6
83.08597	7.6
85.06522	1.8
91.05460	12.6
92.05773	1.1
93.07024	20.4
93.07578	1.5
95.08586	22.8
97.06524	1.9
97.10139	4.4
102.85178	1.0
105.07005	15.0
105.07645	1.7
107.08576	12.9
109.10136	9.9
111.08077	1.6
115.05467	2.0
117.06998	8.1
119.08551	13.6
121.10117	6.5
123.11743	2.6
125.09615	2.3
128.06183	2.9
129.06979	11.8
131.08559	13.0
133.10103	9.9
135.11691	4.6
141.06961	5.7
142.07773	3.0
143.08548	14.1
143.78058	0.9
145.10097	14.8
146.60231	1.0
147.10696	1.1
147.11681	5.7
149.13243	2.2
154.07755	1.3
155.08519	13.0
156.09326	1.1
157.10091	14.4
159.11684	10.3
161.13245	4.0
167.08519	5.5
167.94312	1.0
168.09282	2.4
169.10095	16.9
171.11665	13.6
173.13306	6.0
176.44963	1.3
179.08577	2.4
180.09306	1.2
181.10081	9.2
182.10881	1.7
183.11658	16.5
185.13229	10.5
187.14793	3.8
193.10175	3.3
194.10818	1.3
195.11679	9.8
197.13255	11.9
199.14786	6.9
201.16364	2.7
205.10123	1.5
207.11697	3.6
209.13196	9.5
211.14810	9.4
213.16377	4.1
221.13266	2.8
223.14799	6.2
225.16335	7.1
227.17999	3.7
235.14850	3.9
237.16364	3.7
239.17917	3.8
239.69707	1.1
241.19600	1.8
249.16382	2.6
251.17921	4.0
253.19511	2.5
263.17929	2.0
265.19586	1.6
267.20901	1.5
279.21054	1.9
283.20392	1.2
321.22241	1.8
337.25342	2.5
349.25183	2.0
351.26813	3.1
365.28540	2.0
377.28146	1.6
393.31485	1.5
395.29413	1.2
447.31961	1.2
449.34073	1.4
485.34515	1.3
499.39441	2.7
517.40436	15.8
524.74951	1.3
535.41321	8.4
539.37134	1.6
573.42749	2.9
591.43994	16.1
609.45001	100.0
610.44885	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	609.4501
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03929	1.6
54.00878	0.9
55.01855	1.7
55.05499	13.9
57.03417	3.0
57.07058	1.8
65.03928	1.5
67.05492	25.2
69.07050	12.4
70.01799	5.6
71.04971	2.2
76.65210	0.9
79.05482	17.8
81.07037	24.8
83.04960	1.5
83.08606	7.2
85.06526	1.1
91.05462	14.7
92.91106	0.9
93.07027	16.0
95.04963	1.9
95.08586	22.5
97.06501	2.0
97.10162	4.3
98.21473	0.9
99.08082	1.0
101.79190	1.0
105.07005	13.2
107.08573	11.3
109.06474	1.1
109.10136	10.2
111.08040	1.3
115.05446	1.2
117.07003	8.8
119.08558	16.6
121.10142	6.0
123.08080	1.7
123.11703	2.6
125.09611	1.4
128.06203	2.3
129.06953	10.4
131.08533	15.2
133.10101	8.4
135.11673	6.0
141.06958	5.7
142.07780	3.1
143.08554	13.6
145.10107	12.2
147.11661	8.6
149.13219	2.1
153.07033	1.4
154.07642	1.2
155.08514	12.6
156.09302	1.6
157.10089	14.5
159.11687	8.4
159.97032	1.0
161.13284	2.6
165.07086	1.6
166.07750	1.1
167.08556	6.2
168.09360	1.2
169.10103	16.2
170.87080	1.0
171.11673	13.7
173.13222	6.9
179.08572	2.7
181.10109	8.7
182.10883	1.8
183.11650	15.2
185.13211	9.1
187.14793	3.3
193.10165	3.2
195.11655	8.5
196.12463	1.6
197.13252	10.1
199.14749	6.7
199.98267	1.0
201.16367	2.3
207.11682	4.2
209.13182	9.5
211.14780	9.3
213.16425	4.4
219.11650	1.6
221.13228	3.0
223.14824	6.5
225.16322	7.2
227.17969	2.7
228.73155	1.0
233.13208	1.2
235.14842	1.8
237.16402	4.3
239.17973	4.6
241.19565	3.0
247.14824	1.3
249.16357	1.9
251.17842	2.7
253.19533	2.3
255.21182	1.3
263.17984	2.1
265.19562	1.4
265.28717	1.0
277.19446	2.3
290.17023	1.0
309.22272	1.8
311.23489	1.2
313.21429	1.3
321.22174	2.0
323.23465	1.3
335.23663	1.8
337.24988	1.3
351.26895	2.7
365.28342	1.7
367.26172	1.3
379.29959	1.5
387.27051	1.0
391.29874	1.9
403.29498	1.0
407.28806	1.0
433.30676	1.4
435.32394	1.3
439.32010	1.1
447.32666	1.7
461.33295	1.3
499.39560	2.1
517.40326	14.3
535.41400	8.3
539.37665	1.2
553.42883	1.4
573.42731	2.0
591.43878	16.6
609.45007	100.0
610.45227	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	609.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.3
53.03942	7.2
55.01862	8.7
55.05500	22.5
57.03440	3.0
57.07072	1.5
59.35946	1.0
59.82917	1.0
65.03923	4.7
67.05495	71.4
69.03398	1.3
69.07059	38.9
69.47238	8.8
71.04977	2.9
79.05481	67.1
81.03424	8.8
81.07043	79.2
83.04976	9.8
83.08595	10.9
85.06544	2.3
91.05465	69.9
93.07029	67.0
95.01318	15.2
95.04953	16.1
95.08593	54.6
97.06513	16.4
97.10163	4.1
98.21455	2.6
99.08104	2.5
103.05461	3.6
105.04501	2.0
105.07013	83.7
107.04938	22.0
107.08573	31.0
109.06531	9.6
109.10145	14.3
111.08094	3.9
115.05461	1.2
116.77453	1.1
117.07001	21.1
119.08562	44.4
121.06478	3.4
121.10116	20.6
123.04429	2.3
123.08056	4.3
123.11691	3.4
125.09591	2.1
128.06192	1.6
129.06998	4.8
131.08545	29.0
133.06528	1.2
133.10106	45.3
135.08069	4.8
135.11664	12.4
137.09608	3.0
141.06964	2.3
142.07695	1.4
143.08557	5.5
145.06436	2.7
145.10101	21.0
147.11684	19.8
149.09584	5.8
149.13202	8.0
149.66260	1.1
151.11200	2.1
155.08507	2.0
157.10095	5.5
159.08060	1.1
159.11671	15.7
161.09642	1.4
161.13237	5.7
163.11177	4.6
163.14844	1.9
165.09103	1.5
165.12708	1.7
169.10138	2.0
171.11656	4.8
171.16992	1.3
173.13255	5.4
175.14813	1.6
177.12761	4.9
179.14288	19.6
179.15738	1.7
183.11699	3.1
185.13283	2.8
187.11224	3.9
187.14854	1.4
195.13773	1.5
197.13243	2.6
201.12796	1.8
201.16548	1.5
205.12280	2.1
219.17400	13.6
229.19519	1.8
239.17949	2.2
241.14366	1.5
247.20546	2.7
257.18896	8.9
275.20020	100.0
293.21027	6.5
317.24762	1.4
331.22726	1.2
349.23816	3.7
405.87320	1.1
439.31723	1.3
609.45020	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.5
55.05499	4.6
57.03429	1.3
57.07061	0.7
58.38116	0.5
58.58551	0.5
61.77923	0.5
63.61166	0.5
65.03916	0.7
67.05495	12.3
69.07059	4.1
71.09553	0.5
71.09875	1.0
79.05479	10.8
81.07046	11.9
83.04962	0.7
83.08604	1.8
85.06538	0.6
91.05466	9.1
93.07034	10.7
95.04946	2.3
95.08596	8.2
97.06522	1.4
97.10155	1.1
97.36003	0.5
105.07016	8.3
107.08586	6.5
109.06471	0.8
109.10155	2.9
117.06995	4.0
119.08569	7.1
121.10139	3.6
122.09651	0.5
123.11734	0.6
125.09653	0.7
129.07008	2.0
131.08540	4.6
133.10106	5.1
135.07985	0.7
135.11688	2.0
137.69511	0.6
143.08522	2.8
145.10104	7.9
147.11646	3.3
149.09627	2.0
149.13274	1.1
155.08498	1.2
157.10114	3.1
159.11702	4.7
161.13246	1.5
163.11212	0.9
169.10114	1.7
171.11688	1.6
173.13242	1.8
178.79402	0.5
179.14287	1.1
183.11740	1.9
185.13266	1.6
187.14761	0.7
195.11699	0.7
195.90082	0.5
197.13251	1.4
199.14882	0.9
207.11732	0.6
211.12399	0.8
211.14743	1.1
229.19484	1.5
239.18062	1.5
257.18982	5.0
259.20724	1.0
270.90799	0.6
275.20026	6.8
290.67801	0.5
331.22702	1.8
335.25909	1.6
376.17691	0.9
377.17783	0.7
387.16797	0.8
389.18402	1.2
390.18924	1.4
391.19257	3.3
392.19885	2.0
400.17441	0.6
401.17499	0.9
403.19638	1.1
404.20187	0.9
405.21014	3.6
406.21445	2.3
407.22345	3.7
413.18323	0.7
414.18295	0.6
415.19366	3.1
416.20117	0.8
417.21185	1.0
418.17380	0.8
419.17838	0.9
419.22360	1.9
421.23767	5.4
429.20816	3.2
430.21585	2.1
431.23001	1.0
432.19702	0.9
433.20279	1.9
433.24951	1.1
435.21558	0.8
442.21378	1.0
443.22833	1.0
444.23083	1.5
446.21655	0.8
447.17227	3.1
449.23508	0.9
450.01672	0.5
452.22531	0.7
457.23877	2.3
458.24783	0.8
459.21872	2.2
460.23196	2.7
461.19061	5.8
462.19971	2.6
463.21289	2.0
472.22800	1.3
474.20377	1.3
475.21005	9.4
476.21802	7.8
477.22495	5.2
478.23691	1.1
479.24557	0.7
485.23544	9.9
486.19891	2.4
487.20621	0.7
488.22073	1.4
489.22870	6.8
493.22324	0.9
494.26642	0.6
497.23758	0.7
499.21451	3.4
500.22034	2.2
502.23578	1.0
503.24634	8.2
504.25433	1.3
507.23929	0.8
513.23035	1.5
515.24481	9.1
517.22546	1.2
517.40369	0.7
521.25854	3.2
522.25391	0.6
531.23834	17.7
535.23108	1.0
541.21814	1.2
548.23834	1.0
549.24677	3.1
550.25720	4.3
559.23315	7.8
577.24438	1.3
591.25934	34.5
592.26563	1.2
609.27014	100.0
609.44324	18.7
610.27350	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	609.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01855	2.7
55.05508	4.7
65.03924	0.9
67.05489	12.5
69.07060	5.9
69.65516	2.5
69.65952	2.2
79.05477	12.6
81.03403	1.0
81.07043	14.3
83.04960	0.9
83.08593	1.7
91.05458	10.2
93.07025	10.7
95.04967	3.7
95.08582	7.3
97.06528	3.2
97.10136	1.3
98.21428	1.1
98.98467	1.1
105.07007	9.3
107.04939	2.3
107.08566	6.1
109.06514	2.4
109.10140	2.6
111.08083	0.6
115.05495	0.8
117.07018	4.3
119.08567	6.5
121.06459	0.8
121.10126	4.3
129.06970	2.3
131.08542	5.7
133.10115	4.3
135.11649	2.9
137.09590	0.7
141.07002	0.6
143.08536	2.6
145.10086	4.5
147.11691	2.6
149.09605	2.6
149.13232	1.4
155.08533	2.1
157.10126	2.7
159.10542	0.6
159.11638	2.8
161.09601	0.7
161.13202	1.3
163.11183	1.5
163.14799	0.7
169.10153	2.3
171.11673	2.1
173.13208	2.5
179.14316	2.6
181.10126	0.8
183.11671	1.8
185.13231	1.6
195.11739	1.3
197.13226	2.2
199.14764	0.9
207.11719	0.7
209.13243	1.0
211.14803	1.0
213.40845	0.6
223.12317	0.8
257.19107	1.7
261.22009	0.7
275.19977	7.0
293.20865	1.1
359.81339	0.6
377.17792	1.0
390.18622	2.0
391.19223	2.0
392.19952	1.8
400.16528	1.0
401.17593	1.7
404.20245	1.4
405.20871	4.0
406.21667	1.8
407.22220	4.1
415.19159	2.0
419.18015	1.2
419.22806	1.1
420.23361	1.1
421.23871	5.6
422.24554	0.9
427.19019	0.7
428.19913	1.3
429.20740	2.0
430.21912	1.6
431.18414	1.3
432.19366	0.8
433.20123	1.9
442.21811	0.7
443.22824	1.1
444.23401	0.9
445.20224	0.8
447.17749	1.7
448.18265	0.8
449.23422	1.3
453.07059	0.7
457.24356	1.0
459.21786	1.4
460.22726	1.5
461.19257	7.1
462.20413	2.8
463.21182	1.1
471.18094	0.7
472.22659	1.0
473.19263	1.4
474.20413	0.9
475.21106	9.5
476.21811	8.4
477.22327	4.6
478.23288	1.3
485.23724	4.8
486.20569	2.6
487.21539	0.7
488.21902	1.4
489.22971	6.4
499.21036	5.1
500.22226	1.1
503.24402	8.3
504.21490	0.9
505.21185	0.7
511.37592	1.6
513.22778	1.0
515.24274	6.1
517.22247	1.8
517.40472	0.9
521.25989	3.0
531.23901	9.5
533.25543	0.8
535.23352	1.3
541.22198	0.9
549.24945	2.2
550.25665	3.7
559.23297	5.3
563.26746	2.0
577.24396	2.1
591.25952	13.9
591.43854	1.1
609.26984	100.0
609.43793	16.0
610.27173	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	608.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43990	1.3
51.79889	1.0
56.29121	1.4
67.05470	1.4
70.88792	3.7
81.07036	2.3
91.05448	1.5
224.12927	1.4
225.13840	1.4
237.10353	1.3
403.15451	2.4
404.19540	1.6
417.16989	2.6
418.17538	2.5
431.93869	1.2
432.19342	3.7
446.17047	2.0
447.17331	2.1
457.20126	1.6
460.18420	2.9
461.19714	2.3
462.20230	2.0
474.20493	1.4
475.21313	9.5
476.22037	4.3
477.22977	2.8
488.21741	1.5
489.22845	1.6
505.22232	2.1
507.23633	2.0
519.20154	2.1
520.24243	2.9
532.24609	2.2
533.21991	4.6
535.23163	8.1
548.23987	14.2
549.24677	6.5
561.21460	1.5
565.24976	2.0
576.23181	9.4
579.22699	5.5
580.26257	4.6
590.25537	1.5
591.24854	1.6
593.23706	8.0
608.26038	100.0
609.26593	5.4
634.42609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01859	10.8
55.05243	2.2
55.05506	40.7
57.03409	6.5
57.07063	3.9
65.03938	3.8
67.05493	92.4
69.03407	8.9
69.07062	34.5
71.04974	9.5
71.08614	14.0
71.23254	4.6
71.23627	3.6
73.02877	2.1
79.05022	3.1
79.05480	57.9
81.03393	26.6
81.07042	100.0
82.07407	1.9
83.04982	12.1
83.08607	21.7
83.53889	1.9
85.02899	4.5
85.06520	5.8
91.05463	54.2
93.07029	70.1
95.04955	17.2
95.08588	47.7
97.02871	6.3
97.06504	13.4
97.10155	22.8
99.04432	3.4
99.08082	10.5
105.07017	37.5
107.04931	6.8
107.08575	45.5
109.02853	3.4
109.06502	9.2
109.10136	24.3
111.04414	7.4
111.08051	8.1
113.05930	2.0
113.09612	3.1
117.06993	16.4
119.08561	27.6
121.06477	6.7
121.10112	24.6
123.08022	4.6
123.11680	8.9
125.09607	16.4
125.70947	1.9
129.06985	9.9
131.08540	22.7
133.06458	3.3
133.10106	30.4
135.08008	6.4
135.11673	19.7
137.09583	7.0
137.13200	2.9
139.11168	4.9
143.08508	8.1
145.10112	18.2
147.08018	3.8
147.11653	18.1
149.09587	5.8
149.13240	24.4
151.11153	21.9
153.09088	4.0
153.12764	2.2
155.08530	5.0
157.10098	7.2
159.11679	15.3
161.09627	4.2
161.13219	8.9
163.11201	12.2
163.14803	3.5
165.12737	5.4
167.10608	2.5
169.10081	2.6
171.11603	4.0
173.11810	2.1
173.13260	3.2
175.11105	2.8
175.14807	4.7
177.12677	13.2
179.14281	7.1
181.10078	3.0
181.12239	4.9
185.13223	5.4
188.22482	1.8
189.11230	14.8
189.12708	3.8
191.10669	2.6
193.12128	2.6
195.13747	20.3
199.14806	2.7
207.13644	2.4
209.11516	2.4
213.14714	2.9
231.21089	5.2
241.19490	4.4
251.17888	2.6
259.20480	5.8
269.17416	5.9
273.18466	2.3
275.20026	6.8
277.21579	51.7
282.26630	2.2
291.19489	6.6
291.22726	2.2
293.20953	9.0
295.22638	14.3
339.17917	4.2
365.23526	2.4
389.26749	2.1
395.20483	3.5
459.34659	2.3
463.30066	5.2
475.34317	3.4
489.35437	3.1
553.41620	2.3
571.43219	6.0
589.33936	3.0
589.44147	5.4
607.34589	23.8
607.43439	8.0
608.35309	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	607.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.34418	0.8
55.01861	4.7
55.05502	21.5
57.03425	4.1
57.07063	2.8
63.54144	0.8
65.03933	2.5
67.05495	36.9
69.03414	3.0
69.07053	17.5
70.16682	3.1
71.04982	3.7
79.05482	27.5
81.03416	6.3
81.07043	36.7
81.28653	0.8
83.04969	3.8
83.08607	8.9
83.41728	0.7
84.44335	0.8
85.06506	2.0
91.05465	28.2
93.07031	26.4
95.01295	0.8
95.04935	4.5
95.08594	24.3
95.09199	1.5
97.02887	1.2
97.06511	5.7
97.10149	5.0
98.20618	1.0
99.08108	1.1
103.05460	1.1
105.07014	23.8
105.07719	1.3
107.04951	1.7
107.08576	17.7
107.09252	1.5
109.02872	1.1
109.06515	3.8
109.10143	10.6
111.04424	1.5
111.08067	2.5
115.05428	2.1
117.06996	13.7
119.08562	18.0
121.06523	2.1
121.10133	11.0
123.04403	0.9
123.08053	2.0
123.11697	3.4
125.09614	3.3
128.06215	3.7
129.06990	10.4
131.08545	18.1
131.09448	1.2
133.10115	15.4
135.08057	2.1
135.11703	5.8
137.06017	0.9
141.06937	4.7
142.07768	3.4
143.08539	14.4
144.09242	1.4
145.06425	1.0
145.10103	15.5
147.11676	9.4
149.09607	3.5
149.13240	4.8
151.11217	1.2
153.06996	2.2
154.07698	1.4
155.08522	14.9
156.09328	1.5
157.10109	14.1
159.08022	1.4
159.11636	10.7
161.13246	4.5
163.11217	1.8
163.14890	1.1
165.06981	2.6
165.12784	1.3
166.07765	2.1
167.08537	9.8
168.09334	2.8
169.10107	13.1
171.11664	11.7
172.12401	0.9
173.09586	1.4
173.11932	1.1
173.13234	5.8
175.11139	1.4
175.14795	1.2
177.12700	1.7
178.07872	1.0
179.08528	6.1
179.14185	0.8
180.09351	2.6
181.10085	12.6
182.10931	1.2
183.11662	14.4
184.12335	0.9
185.09596	0.9
185.13228	7.0
187.14851	2.8
191.08554	1.7
192.09352	1.5
193.10110	8.5
193.11845	1.2
194.10872	2.5
195.11700	13.9
195.13615	1.6
196.12424	1.4
197.13208	10.1
199.11313	1.0
199.14842	4.6
201.16412	1.4
205.10159	3.2
205.12010	1.0
206.10880	1.4
207.11653	8.8
208.12448	2.3
209.13248	11.9
210.13882	1.2
211.14847	5.2
213.16425	3.1
219.11723	2.5
220.12292	1.0
221.13251	6.5
222.14011	1.1
223.14806	8.7
225.16362	5.2
227.17981	1.4
231.11754	1.1
233.13275	2.5
235.14836	5.1
237.16394	5.8
239.17990	3.7
241.19562	1.5
247.14842	2.5
247.20464	0.9
249.16379	3.7
251.17946	4.1
257.19043	1.3
259.20609	2.6
261.16415	1.8
263.17950	2.4
265.19470	1.9
267.21353	0.8
275.20139	7.0
277.19321	1.7
279.17523	1.0
279.21228	2.5
297.22266	1.3
300.14645	0.9
311.23444	1.1
313.21664	1.1
315.23157	2.3
321.22125	1.5
323.23813	0.9
333.21957	1.8
337.25156	1.8
339.18375	0.9
339.23187	1.5
347.23721	1.3
349.25357	1.1
351.23172	1.4
353.24506	1.2
359.23819	1.0
361.25342	1.1
363.26718	2.5
365.28366	1.4
375.26492	1.0
377.28430	1.7
391.29959	1.4
407.29727	1.0
421.31079	1.8
445.30710	2.7
459.32779	0.8
463.31351	1.9
481.32693	0.9
497.37613	1.2
515.38867	10.5
533.39960	7.7
537.36017	2.2
538.36511	1.6
551.40662	3.4
571.41559	1.2
589.42456	7.9
590.43060	1.5
607.34888	6.9
607.43488	100.0
608.44220	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	607.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.70492	0.7
55.01868	3.6
55.05504	20.2
57.03437	4.4
57.07051	2.7
65.03925	3.2
65.04724	0.8
67.05496	40.7
69.03414	5.1
69.07063	17.2
71.04984	3.8
71.08623	0.8
79.03934	0.7
79.05481	30.0
81.03408	11.6
81.07045	43.8
83.04966	5.1
83.08607	10.8
85.02869	1.3
85.06509	2.4
91.05466	25.6
91.06036	1.3
93.07032	29.9
95.04960	6.7
95.08005	1.6
95.08593	27.0
97.02869	3.2
97.06516	5.0
97.10162	4.7
97.36463	0.7
99.04439	1.2
99.08053	1.7
101.88930	0.8
103.05431	1.4
105.04472	0.7
105.07013	23.8
105.08135	0.9
107.04935	3.2
107.08579	19.7
109.02856	3.1
109.06550	3.9
109.10135	10.5
111.08049	3.0
115.05422	1.7
116.06209	1.2
117.07011	12.9
119.08565	17.0
121.06509	1.4
121.10126	12.1
123.08033	2.3
123.11688	3.3
123.44592	0.7
125.09611	2.6
127.03865	1.9
128.06203	3.8
129.05508	0.9
129.06993	13.4
130.07826	0.8
131.08549	15.8
133.06482	1.7
133.10107	13.3
135.08049	1.7
135.11635	4.3
137.09584	1.3
137.13277	0.7
141.06978	6.3
142.07756	2.9
143.08545	12.2
144.09201	0.9
145.06430	1.5
145.10117	13.8
147.08063	0.9
147.11661	8.8
149.09595	2.4
149.13243	5.1
151.11221	1.3
153.06989	2.7
154.07758	2.2
155.08524	16.3
156.09299	1.8
157.10109	11.7
159.08055	1.6
159.11684	12.2
161.09610	1.2
161.13240	3.3
163.11185	1.5
163.14841	0.9
165.06992	2.0
165.12689	1.9
166.07741	2.4
167.08522	8.5
168.09337	2.2
169.10104	15.3
170.10823	0.8
171.11676	11.1
173.09615	1.0
173.13220	5.3
175.11066	1.2
175.14731	1.3
177.12727	2.5
178.07854	1.0
179.08548	4.6
179.14453	0.8
180.09302	1.9
181.10074	14.3
181.11530	1.2
182.10901	2.6
183.11664	14.4
185.13237	7.5
187.11150	1.0
187.14807	2.9
191.08531	1.5
191.14302	0.9
192.09344	1.9
193.10074	7.3
194.10838	1.7
195.11697	14.9
195.13766	3.5
196.12309	1.2
197.13222	11.2
199.14828	4.9
201.12782	1.0
201.16269	1.3
205.10197	2.3
206.10875	1.8
207.11615	6.6
208.12469	1.8
209.13229	12.9
209.15207	1.0
210.13904	1.0
211.14815	5.3
213.12816	1.0
213.14639	1.1
213.16388	2.2
219.11736	2.8
221.13202	7.2
223.14806	8.7
225.16408	3.4
227.18048	1.1
233.13319	2.5
235.14792	5.4
237.16351	5.9
239.17935	3.3
245.18706	0.9
247.14821	2.3
249.16356	3.4
251.17949	3.0
253.19519	2.1
257.19052	1.2
259.20502	1.4
263.17957	1.6
265.19550	2.5
267.15646	0.9
269.17456	1.2
275.20236	4.3
277.19440	1.9
279.21124	1.0
285.22171	0.9
307.20435	1.1
319.20731	1.2
321.22217	1.8
323.23788	1.5
325.21497	0.9
333.21909	1.2
335.23706	1.9
337.21622	1.0
337.25259	1.4
339.18207	2.1
347.23648	1.6
349.25125	2.9
353.24777	1.2
363.26877	1.8
365.28369	1.5
367.26306	1.1
371.25052	0.9
375.27011	1.2
377.28598	1.5
381.27866	0.9
389.28198	1.0
391.30035	1.2
395.20663	1.9
403.29968	0.9
405.27863	1.0
419.29059	1.2
421.31009	1.9
445.29999	3.3
459.32675	1.1
463.30835	2.3
465.33472	0.9
473.33826	1.3
497.37939	2.1
505.39923	1.3
515.38824	10.8
519.34381	1.0
533.39801	9.1
537.35913	1.0
538.36285	1.6
551.41132	5.5
571.41113	1.8
589.42444	7.2
607.34521	14.2
607.43445	100.0
608.34888	1.9
608.43909	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75543	0.5
53.00294	0.6
53.03935	2.8
54.54854	0.6
55.01855	3.2
55.05501	17.3
57.03430	3.9
57.07064	1.4
57.55500	0.6
59.04985	0.8
65.03927	1.9
67.05498	31.3
68.05817	0.7
69.03414	1.6
69.07057	15.2
70.00908	2.8
71.04979	2.5
79.05019	1.2
79.05481	23.4
81.03415	2.3
81.07044	34.0
83.04975	2.7
83.08616	7.5
85.06539	1.9
87.61635	0.7
91.05468	22.1
93.07033	20.7
95.04950	3.9
95.08588	22.9
97.06513	3.7
97.10151	5.4
99.08082	2.1
103.05440	0.9
105.07014	20.6
107.04953	2.4
107.08578	14.8
109.06503	1.9
109.10137	9.5
111.08073	2.0
115.05462	1.8
117.07008	10.8
119.08562	15.4
120.01395	0.5
121.06462	0.8
121.10136	9.4
123.08065	1.5
123.11684	3.4
123.59983	0.6
125.09639	2.5
128.06190	3.0
129.06995	9.7
130.07787	1.4
131.08546	15.1
133.06512	0.7
133.10123	12.4
135.08061	1.3
135.11681	5.3
137.13298	0.8
141.06944	7.2
142.07779	3.8
143.08546	13.6
144.09340	1.2
145.10110	14.4
147.11682	6.8
149.09589	1.9
149.13235	2.5
151.11224	0.8
151.14754	0.6
153.07016	2.5
154.07736	1.9
155.08534	12.9
156.09335	2.0
157.10104	15.2
159.08031	0.9
159.11671	9.7
161.09599	1.6
161.13208	4.6
163.11180	1.6
163.14867	0.7
165.06956	3.8
166.07787	2.3
167.08540	10.6
168.09288	3.2
169.10112	18.2
170.10835	1.1
171.11678	10.0
171.13065	0.9
173.13242	5.1
175.11168	0.7
175.14810	1.0
177.12686	1.0
178.07817	1.8
179.08525	6.9
180.09344	2.5
181.10100	16.0
182.10870	1.8
183.11664	17.3
185.13232	6.6
187.11171	0.8
187.13301	0.9
187.14734	3.2
189.16478	0.7
191.08549	1.2
192.09438	1.8
193.10101	7.4
194.10918	2.4
195.11664	16.4
196.12459	1.4
196.99745	0.7
197.13234	11.1
197.14909	1.1
199.14806	5.1
201.16435	0.9
203.08591	0.7
203.17929	1.0
204.09306	1.2
205.10120	2.6
206.10854	1.5
207.11652	8.3
208.12485	1.7
209.13226	12.8
211.14786	7.8
213.16469	2.8
215.17886	0.7
217.10118	0.8
218.10994	0.6
219.11656	3.3
220.12483	1.3
221.13173	7.2
222.13881	1.0
223.14798	11.0
224.15553	0.8
225.16318	5.7
227.16267	0.9
232.12704	0.8
233.13228	3.4
234.14145	1.3
235.14728	5.8
237.16359	6.5
239.17998	3.9
241.19614	1.2
247.14677	2.9
249.16380	3.2
251.17900	3.7
253.19614	1.4
255.17288	0.7
257.19003	1.4
259.14655	1.4
259.20563	0.9
261.16422	2.4
261.21948	0.6
263.17886	2.9
265.19531	2.7
267.21075	0.9
275.20300	3.6
277.19565	2.1
279.21097	1.3
281.19217	0.7
289.19473	1.2
291.21121	1.6
295.20538	0.7
299.20364	0.9
305.22595	0.9
307.20807	0.8
309.22073	1.0
313.21774	0.7
315.23349	0.7
317.22446	0.7
319.20639	1.5
321.22186	1.9
330.61551	0.6
333.22110	1.3
335.23645	1.8
337.21594	0.8
337.25250	1.3
339.23239	1.3
347.23480	1.5
349.25076	2.7
351.23013	1.1
351.26901	0.8
361.25433	1.5
363.26782	2.2
365.24612	1.4
365.28705	0.9
367.26291	1.2
375.22903	0.8
375.27005	1.0
377.28430	2.2
389.28223	0.9
391.30103	1.3
403.30234	1.2
407.29419	0.9
409.31281	1.0
411.29205	1.0
419.29465	1.0
421.30984	0.8
427.29785	0.7
429.31372	0.7
433.31091	1.2
435.32651	0.9
445.30972	2.4
446.31061	0.8
447.32672	1.2
459.32523	0.9
463.31885	0.8
473.33810	0.9
495.34665	0.9
497.37851	2.4
505.40189	0.7
513.36578	0.7
515.38831	13.1
519.34753	0.7
533.39917	8.3
537.35883	1.8
538.36554	1.3
539.36462	0.8
551.41260	3.4
571.41296	1.6
589.42377	8.4
607.43506	100.0
608.44055	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	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.2
53.03932	6.9
55.01863	14.8
55.05231	2.4
55.05500	40.6
57.03426	10.3
57.07057	2.6
59.04982	2.1
65.03922	3.7
67.05492	51.3
69.03427	10.6
69.07053	17.9
69.62333	10.6
71.01326	2.4
71.05002	6.1
75.03628	1.0
75.35287	1.1
79.05019	2.3
79.05479	46.3
81.03398	25.2
81.07041	100.0
83.04965	22.1
83.08600	21.8
85.02893	6.1
85.06519	5.1
91.05463	46.9
93.07027	45.8
94.04248	1.2
95.04954	23.1
95.08589	22.1
97.02871	6.0
97.06499	8.8
97.10159	14.7
98.21468	2.4
99.00800	13.3
99.04427	4.2
99.08059	3.1
101.02383	1.3
103.05447	2.9
105.03464	1.2
105.07011	39.4
107.04935	14.6
107.08576	29.0
109.02856	11.6
109.06491	11.8
109.10122	12.6
110.10455	1.1
111.04425	20.2
111.08053	9.8
112.73402	1.2
113.05963	3.2
115.03912	1.8
115.05393	1.3
117.07005	12.8
119.05001	1.4
119.08556	24.3
121.06473	13.2
121.10126	14.7
123.04375	2.8
123.08047	25.7
123.11668	5.0
125.05975	1.8
125.09602	14.7
127.03895	5.1
128.06181	2.5
129.07005	6.4
130.07774	1.3
131.08554	14.9
133.06468	3.5
133.10101	31.9
135.04436	1.6
135.08020	8.4
135.11649	10.9
137.05975	2.9
137.09612	5.6
139.07565	2.8
139.11183	1.8
141.06955	2.1
143.08537	6.8
144.71359	1.3
145.06416	1.6
145.10081	15.8
146.07253	1.3
147.08008	9.2
147.11699	6.9
149.05988	1.3
149.09596	7.1
149.13237	7.6
151.11165	7.5
153.09084	4.3
153.12704	7.0
155.08546	2.5
157.10123	3.9
159.07982	2.4
159.11679	7.7
161.09595	19.0
161.13156	1.4
163.11151	16.8
165.09085	5.9
165.12759	2.2
167.08374	1.3
171.07974	2.9
171.10193	2.4
171.11581	2.9
173.09558	3.8
173.13287	2.9
175.11090	2.0
177.12672	2.3
179.10684	7.5
181.12213	11.9
185.13173	1.9
187.11017	1.2
189.09123	7.8
189.11192	17.3
189.12720	1.4
191.10660	9.6
193.12291	3.6
195.11845	1.4
195.13803	3.9
197.11662	2.9
207.10068	3.0
209.11638	2.6
223.13243	8.1
223.15067	1.2
225.11191	8.9
227.12721	18.1
227.14780	1.5
227.17955	1.7
243.12230	2.9
249.14818	1.7
250.60637	1.2
255.17413	3.6
267.15799	2.0
273.18430	26.9
281.13708	4.1
283.15253	5.3
283.17957	1.3
289.17877	2.4
291.19492	61.6
299.14850	38.2
309.20490	3.9
339.17871	2.5
347.22156	4.1
363.21417	1.6
365.23169	17.2
366.11514	1.2
395.20621	2.7
445.29874	1.7
463.30347	2.3
469.23935	2.0
561.33685	2.0
571.32410	2.9
589.33533	16.3
607.34631	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01857	6.4
55.05501	28.0
55.17999	1.6
57.03424	10.6
57.07062	3.6
65.03928	4.0
67.05493	76.8
69.03418	14.2
69.07053	30.7
71.04980	7.2
71.70939	2.0
73.02936	1.6
79.05482	58.0
81.03406	59.7
81.07042	100.0
83.04960	14.7
83.08604	18.2
85.02897	4.6
85.06522	7.0
88.11982	1.5
91.05463	47.4
93.07030	64.6
95.01264	1.7
95.04959	13.8
95.08595	39.8
97.02882	10.9
97.06527	12.9
97.10167	5.1
99.04443	5.4
99.08104	2.9
103.05484	2.1
105.07011	31.8
107.04949	6.3
107.08575	35.6
109.02863	13.8
109.06506	5.8
109.10123	10.0
111.04436	9.1
111.08065	7.2
113.09602	1.6
115.05448	3.6
117.07001	21.1
119.08563	21.6
121.05698	1.6
121.06487	5.7
121.10145	20.9
123.08051	2.8
123.11691	6.2
124.75297	1.3
124.76189	1.6
125.09574	1.6
127.03926	6.7
128.06215	4.0
129.06982	13.0
131.04878	2.7
131.08534	24.1
133.06442	2.5
133.10117	21.7
134.77660	1.4
135.08046	4.2
135.11678	10.4
137.09673	2.0
141.06989	6.6
142.07784	3.1
143.08530	11.8
145.06433	3.1
145.10106	10.6
147.08031	3.1
147.11667	15.1
149.05962	1.8
149.09601	3.7
149.13248	22.9
151.11115	2.5
153.06917	2.2
155.08540	9.8
157.06450	1.8
157.10109	13.4
157.13712	1.4
159.11668	19.1
161.13252	3.4
163.11197	2.4
165.12743	4.9
167.08557	7.9
168.09293	2.1
169.10124	12.8
171.11688	9.8
173.04436	3.2
173.09708	1.5
173.13277	5.1
175.11131	2.5
175.14772	1.7
177.12729	9.0
178.07755	2.0
179.08546	4.4
179.14392	1.4
181.10117	10.6
183.06598	2.8
183.11652	11.1
185.13257	5.4
187.14795	1.9
189.12708	1.8
193.10110	4.7
194.10927	1.5
195.11688	10.0
195.13812	13.9
197.13229	7.7
199.06056	1.9
199.14786	3.5
201.12706	2.6
205.10150	3.0
206.10941	2.6
207.11711	3.6
209.13206	8.2
211.14853	3.7
213.14828	4.2
213.16566	1.8
219.11676	2.0
219.13710	1.7
221.13248	5.5
223.14830	5.2
225.12585	2.0
225.16338	5.4
233.13190	2.1
233.15312	3.4
235.14789	4.2
237.16440	4.0
239.17848	2.5
247.14896	2.8
251.18071	1.8
257.67661	1.5
261.14716	2.9
267.15942	5.2
269.17471	11.5
273.14725	1.8
275.16235	1.8
277.19266	2.2
287.16168	1.5
293.17453	1.6
297.16962	1.9
303.15735	3.8
321.17032	4.8
339.18008	10.1
339.22482	1.5
341.25400	1.8
353.24368	2.0
371.25549	2.0
377.19595	3.6
377.24249	2.1
395.20502	8.7
411.19949	1.6
445.29648	6.6
463.30542	12.5
515.38959	9.0
533.39624	5.7
551.40582	2.8
553.31958	1.5
589.33502	5.6
589.42145	5.5
607.34448	65.8
607.43433	67.7
608.34705	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	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01857	6.4
55.05501	28.0
55.17999	1.6
57.03424	10.6
57.07062	3.6
65.03928	4.0
67.05493	76.8
69.03418	14.2
69.07053	30.7
71.04980	7.2
71.70939	2.0
73.02936	1.6
79.05482	58.0
81.03406	59.7
81.07042	100.0
83.04960	14.7
83.08604	18.2
85.02897	4.6
85.06522	7.0
88.11982	1.5
91.05463	47.4
93.07030	64.6
95.01264	1.7
95.04959	13.8
95.08595	39.8
97.02882	10.9
97.06527	12.9
97.10167	5.1
99.04443	5.4
99.08104	2.9
103.05484	2.1
105.07011	31.8
107.04949	6.3
107.08575	35.6
109.02863	13.8
109.06506	5.8
109.10123	10.0
111.04436	9.1
111.08065	7.2
113.09602	1.6
115.05448	3.6
117.07001	21.1
119.08563	21.6
121.05698	1.6
121.06487	5.7
121.10145	20.9
123.08051	2.8
123.11691	6.2
124.75297	1.3
124.76189	1.6
125.09574	1.6
127.03926	6.7
128.06215	4.0
129.06982	13.0
131.04878	2.7
131.08534	24.1
133.06442	2.5
133.10117	21.7
134.77660	1.4
135.08046	4.2
135.11678	10.4
137.09673	2.0
141.06989	6.6
142.07784	3.1
143.08530	11.8
145.06433	3.1
145.10106	10.6
147.08031	3.1
147.11667	15.1
149.05962	1.8
149.09601	3.7
149.13248	22.9
151.11115	2.5
153.06917	2.2
155.08540	9.8
157.06450	1.8
157.10109	13.4
157.13712	1.4
159.11668	19.1
161.13252	3.4
163.11197	2.4
165.12743	4.9
167.08557	7.9
168.09293	2.1
169.10124	12.8
171.11688	9.8
173.04436	3.2
173.09708	1.5
173.13277	5.1
175.11131	2.5
175.14772	1.7
177.12729	9.0
178.07755	2.0
179.08546	4.4
179.14392	1.4
181.10117	10.6
183.06598	2.8
183.11652	11.1
185.13257	5.4
187.14795	1.9
189.12708	1.8
193.10110	4.7
194.10927	1.5
195.11688	10.0
195.13812	13.9
197.13229	7.7
199.06056	1.9
199.14786	3.5
201.12706	2.6
205.10150	3.0
206.10941	2.6
207.11711	3.6
209.13206	8.2
211.14853	3.7
213.14828	4.2
213.16566	1.8
219.11676	2.0
219.13710	1.7
221.13248	5.5
223.14830	5.2
225.12585	2.0
225.16338	5.4
233.13190	2.1
233.15312	3.4
235.14789	4.2
237.16440	4.0
239.17848	2.5
247.14896	2.8
251.18071	1.8
257.67661	1.5
261.14716	2.9
267.15942	5.2
269.17471	11.5
273.14725	1.8
275.16235	1.8
277.19266	2.2
287.16168	1.5
293.17453	1.6
297.16962	1.9
303.15735	3.8
321.17032	4.8
339.18008	10.1
339.22482	1.5
341.25400	1.8
353.24368	2.0
371.25549	2.0
377.19595	3.6
377.24249	2.1
395.20502	8.7
411.19949	1.6
445.29648	6.6
463.30542	12.5
515.38959	9.0
533.39624	5.7
551.40582	2.8
553.31958	1.5
589.33502	5.6
589.42145	5.5
607.34448	65.8
607.43433	67.7
608.34705	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	607.2901
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
55.86945	0.6
71.20612	1.3
72.59379	0.5
292.95120	0.6
394.85275	0.6
431.18607	2.0
433.23862	4.6
434.24771	0.7
445.20120	1.6
446.20911	2.1
447.21353	2.7
459.21127	2.7
460.22501	10.8
461.23294	11.6
473.23138	1.9
487.24985	1.4
491.20187	0.8
492.25125	1.1
505.21756	3.5
518.23010	1.0
519.23639	1.5
519.28162	1.4
529.81744	0.6
547.26984	27.4
548.26874	0.8
552.27386	0.7
563.74762	0.6
575.26605	1.0
579.29608	1.1
607.29083	100.0
608.29346	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	607.29
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.90633	0.4
71.63090	1.0
78.83633	0.5
89.06719	0.5
166.74854	0.6
389.17621	1.0
390.18372	0.5
401.17706	0.6
402.18420	0.6
403.19226	3.0
404.20010	1.2
405.20898	1.6
415.19324	0.8
416.19864	1.4
417.15906	0.6
417.21265	4.2
418.21738	2.4
419.22351	2.9
430.17282	1.0
430.22272	0.7
431.18121	7.3
431.23361	0.6
432.19296	1.9
432.24081	0.7
433.23950	9.1
434.24487	1.6
445.19659	10.0
446.20444	5.2
447.21509	3.2
459.21307	4.1
460.22412	14.3
461.23322	14.6
462.24255	0.9
473.23514	3.2
474.24207	1.2
477.22745	0.5
487.24640	1.4
488.25525	0.8
489.22769	0.8
491.20773	0.6
492.25006	0.7
505.21405	2.3
506.26651	0.6
518.23639	0.6
519.27246	1.7
532.24481	1.0
547.26984	51.0
548.27460	4.2
575.26880	1.1
579.29779	1.4
607.29053	100.0
608.29425	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	607.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.4
57.03431	0.3
67.05488	2.6
69.03426	0.4
69.07053	0.9
69.96320	1.6
71.04967	0.5
79.05471	1.7
81.03409	1.9
81.07037	3.7
83.04965	0.7
83.08610	0.7
91.05473	1.6
93.07034	2.6
95.04946	0.5
95.08591	1.5
97.02906	0.4
105.07018	1.1
107.08574	1.0
108.08171	0.4
109.06471	0.4
109.10146	0.5
117.07010	0.7
119.08576	0.7
121.10128	1.0
129.07011	0.4
131.08545	1.0
133.06502	0.6
133.10117	0.7
135.11687	0.6
145.10081	0.8
149.13249	0.9
149.51787	0.4
157.10130	0.5
159.11678	0.4
169.10054	0.5
172.11833	0.4
177.12721	0.5
179.44441	0.3
199.96803	0.4
209.10536	0.4
223.12320	0.4
223.14746	0.3
268.94815	0.4
322.13547	0.6
339.18188	0.7
374.15201	0.4
375.16193	1.3
388.17145	1.1
389.17575	3.0
390.18417	1.3
391.19180	1.1
401.17993	0.7
402.14221	0.8
402.18686	1.1
403.15192	1.0
403.19516	4.3
404.20029	2.0
405.20731	3.7
406.21457	0.4
416.16342	1.2
417.16251	5.0
417.21115	1.9
418.17508	1.3
418.21677	1.4
419.22446	7.6
420.22977	1.1
430.17743	0.8
431.18164	8.0
432.19272	4.3
433.20099	4.4
435.21964	0.4
443.18454	0.7
445.20187	6.0
446.20990	8.2
447.21701	8.7
448.22693	0.5
459.17603	1.2
459.22147	1.6
460.18143	0.7
461.19370	1.9
463.25723	0.5
473.23782	0.9
474.20383	6.5
475.20993	5.3
477.22858	1.2
478.23532	1.0
487.21252	1.5
488.22018	0.6
490.23904	0.7
491.19910	2.9
501.22736	1.5
504.21396	0.5
505.22467	1.1
519.23981	17.5
520.24652	0.6
536.24396	0.5
546.22528	0.5
547.23309	13.5
548.24133	0.7
551.25977	0.6
561.25043	0.6
579.25964	5.9
580.26941	0.5
607.25439	100.0
607.33289	3.8
608.25739	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15062	0.4
53.03865	0.7
55.01786	0.4
55.05426	1.2
57.03361	0.7
65.03856	0.5
65.18011	0.3
67.05393	3.4
69.06992	0.8
70.84480	1.3
71.08549	0.5
79.05376	4.0
81.06930	6.5
81.46118	0.4
83.08530	0.9
91.05354	3.4
93.06921	3.2
95.04845	0.7
95.08578	1.9
97.06440	0.6
105.07011	3.5
107.08437	1.3
109.06364	2.2
109.10030	0.8
114.42493	0.5
117.06920	0.8
119.08568	2.5
121.10021	0.9
123.11575	0.5
129.06874	1.1
131.08430	1.4
133.10071	2.3
141.06834	0.4
143.08450	0.6
145.10086	1.9
147.11583	0.8
155.08444	0.4
157.10037	0.8
159.11511	1.2
161.13121	0.8
169.10020	0.6
171.11517	0.5
173.13104	0.8
185.13197	0.5
187.14583	0.4
195.11534	0.5
197.13123	0.4
219.17299	1.2
241.19392	0.6
247.20354	0.5
259.20453	0.5
263.53976	0.5
275.20044	3.5
276.20242	0.8
293.21103	0.5
313.27203	0.6
349.23425	0.6
362.94574	0.4
374.14963	1.2
375.15875	0.8
376.16861	0.8
378.79193	0.4
387.15848	0.8
388.16684	1.8
389.17511	4.3
390.18268	2.1
391.19031	1.6
401.17935	1.0
402.13974	0.7
402.18381	1.3
403.19366	8.2
404.19937	2.9
405.20743	3.2
415.14923	0.7
415.19760	0.5
416.15369	2.1
416.20801	0.6
417.16861	4.9
417.20822	4.0
418.17407	1.6
418.21423	1.8
419.22397	9.9
420.22729	1.3
429.21463	0.6
430.17618	1.8
431.18234	10.7
432.19156	3.6
433.20074	4.2
434.20697	0.4
444.19217	0.8
445.20145	9.6
446.20905	9.1
447.21634	13.9
448.21902	1.3
457.19742	0.6
458.21225	0.5
459.17844	2.1
459.22189	1.7
460.18774	1.4
461.19559	2.3
462.24469	0.6
463.24850	1.3
473.19565	1.6
474.20383	14.3
475.21097	14.5
476.21854	0.6
477.22806	0.7
478.23538	0.8
487.21082	3.8
488.21677	1.1
490.23508	2.6
491.20627	1.9
491.25131	1.3
501.23077	2.1
505.22055	1.1
506.22650	0.8
518.22833	0.8
519.24023	13.8
520.24280	0.8
532.20795	0.9
547.23315	79.1
548.23779	4.9
561.24878	1.7
579.26013	4.9
589.24127	1.9
606.48163	0.5
607.25427	100.0
607.43182	5.3
608.25507	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	606.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39229	0.4
55.05507	4.5
57.03417	1.3
57.07065	17.3
57.32551	0.3
65.03934	0.6
69.03091	0.5
69.03421	5.6
70.06572	0.9
70.95860	1.2
73.06548	1.1
78.00996	0.3
79.05470	0.5
81.03382	0.9
81.07030	1.0
83.08626	0.5
84.08099	0.4
85.02895	3.5
87.04459	3.4
91.05453	0.8
91.47155	0.3
93.07037	0.7
95.04941	0.4
95.08585	0.4
97.02880	5.1
100.11259	0.8
105.07012	0.4
111.04391	0.5
115.03912	4.8
119.08549	0.5
121.02838	2.0
131.08505	0.4
132.68071	0.3
133.04938	4.4
145.04865	0.4
149.02316	100.0
150.02672	1.0
154.12152	0.4
161.05946	1.2
167.03366	1.2
171.92087	0.3
175.07484	4.2
182.15398	0.7
190.04965	0.8
195.11549	0.5
203.06998	5.9
205.08571	9.5
210.14830	0.8
221.08072	1.8
223.09566	0.5
277.14313	42.7
278.14694	0.9
295.15347	3.8
364.94873	0.4
397.31607	0.4
580.54785	0.4
606.45624	0.9
608.35907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.254
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05480	0.4
79.05468	0.3
91.05440	0.4
93.07001	0.3
95.04950	0.5
151.07860	0.3
188.16612	0.2
195.09171	0.3
197.10661	0.4
209.10716	0.2
224.12993	0.2
249.10399	0.4
251.11812	0.2
309.13101	0.2
311.14145	0.2
373.14676	0.5
374.15451	0.4
375.15988	1.0
376.16721	0.5
387.16309	0.6
388.16797	1.3
389.17581	3.0
390.18332	1.4
391.19208	1.3
401.17673	0.6
402.13995	0.5
402.18344	0.8
403.15329	0.7
403.19516	4.4
404.20139	1.6
405.20709	3.4
415.19302	0.5
416.15753	1.4
416.20993	0.3
417.16150	4.3
417.21075	1.9
418.17728	1.0
418.21759	0.7
419.22424	6.1
420.22998	0.9
429.16724	0.5
430.17786	0.8
430.22638	0.3
431.18301	9.0
432.19000	2.9
433.19998	3.8
434.20352	0.2
441.17120	0.4
443.18756	0.2
444.19495	0.5
445.20078	5.4
446.20929	7.8
446.51376	0.2
447.21616	8.9
448.22644	0.4
459.17603	1.0
459.22076	1.3
460.18692	0.6
460.23004	0.6
461.19464	1.9
462.24106	0.6
463.20401	0.4
463.25696	0.3
473.19379	0.9
473.24030	0.8
474.20334	5.4
475.21011	5.1
476.21567	0.4
477.23361	1.0
478.23334	1.0
487.21490	1.4
490.23541	0.6
491.19934	3.0
492.20999	0.2
501.22653	1.1
504.21298	0.5
505.22250	1.2
506.23004	0.4
519.23975	15.9
520.24152	0.5
529.22485	0.3
532.20990	0.3
547.23297	11.7
548.23779	0.4
551.26361	0.4
561.24860	0.5
579.25903	6.1
589.24011	0.2
607.25397	100.0
608.25787	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	605.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01859	20.5
55.05504	35.3
57.03430	9.4
57.06792	3.4
57.07067	61.2
59.04997	1.8
65.03932	4.0
67.05495	81.0
69.03421	3.6
69.07055	32.3
71.04979	5.5
71.08620	37.1
71.31278	4.2
77.54626	1.7
79.05485	44.8
81.03414	3.1
81.07040	91.4
83.04976	6.3
83.08599	24.1
85.06512	4.7
85.10169	21.5
89.45560	1.9
91.05467	49.0
93.07032	42.9
95.04971	10.0
95.08588	63.9
97.06517	21.0
97.10165	17.3
105.07008	50.3
107.04940	16.6
107.08574	37.5
107.09240	2.9
109.06501	13.1
109.10137	33.5
111.08073	4.1
111.11713	2.3
115.05470	2.6
117.07016	9.9
119.08562	34.9
121.06463	5.1
121.10116	21.4
123.08056	4.5
123.11691	12.9
125.09599	7.8
129.06989	4.6
131.08534	17.0
133.10101	25.6
135.08037	6.9
135.11653	3.4
137.09639	3.1
137.13228	3.5
141.06972	2.0
142.07761	2.6
143.08551	3.4
145.10098	19.8
147.11665	20.6
149.09599	28.2
149.13242	4.8
151.11163	3.4
155.08585	2.1
157.10091	3.3
159.11650	12.6
161.09668	2.6
161.13255	4.8
163.11162	12.9
163.14803	2.2
165.12770	5.1
169.10132	3.0
171.11674	3.5
173.11818	3.1
173.13266	6.9
175.11052	2.7
177.12715	3.9
179.14328	2.4
183.11688	2.4
187.14824	2.2
189.11237	6.3
197.13196	4.9
227.12714	12.7
227.47011	1.7
229.19421	4.7
239.17940	6.9
239.23688	6.5
241.14160	2.6
244.19394	2.1
247.20526	6.5
257.18933	16.5
275.20013	100.0
293.21042	10.3
313.27325	64.9
313.30975	2.6
331.22580	3.8
349.23636	35.3
377.37094	2.1
438.88037	2.1
453.41397	1.9
483.36661	2.2
587.46490	37.0
605.48163	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	605.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.7
55.01863	13.8
55.05502	46.1
57.07068	60.6
67.05499	74.0
69.07065	48.9
71.04965	8.8
71.08617	51.0
79.05485	63.9
79.24507	4.7
81.03399	7.8
81.07043	81.5
83.04949	15.8
83.08605	46.0
83.61405	4.6
85.10161	14.5
91.05480	50.5
93.07032	50.6
95.04955	53.7
95.08586	70.9
97.06499	19.1
97.10154	18.9
98.20712	8.9
99.04453	8.7
105.07033	35.4
107.04939	15.7
107.08576	59.2
109.06526	10.1
109.10142	29.6
111.04412	10.3
111.08066	6.9
117.07033	26.8
119.08585	26.3
121.10134	19.4
123.11668	11.2
125.09595	15.5
131.08571	22.0
133.10112	19.5
135.11682	13.0
137.09602	4.9
143.08513	5.0
145.06432	19.4
145.10129	25.6
147.11658	13.7
149.09601	36.4
159.11673	14.0
161.13213	5.1
163.11147	21.9
173.11749	6.2
173.13177	9.4
189.11156	10.9
207.25563	5.3
223.13298	42.1
224.13634	6.0
227.12769	12.2
229.19365	6.2
239.17825	6.2
239.23418	6.6
239.79967	5.9
257.18924	12.7
271.16901	30.0
275.20020	100.0
293.20972	31.2
313.27350	48.9
349.23679	30.2
462.53864	5.6
587.46362	22.7
605.47858	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19008	0.4
60.30273	0.4
67.05519	0.4
70.06590	0.8
70.27258	1.3
72.08156	0.4
81.07042	0.8
82.03924	0.4
83.01093	0.8
85.02925	0.4
86.09702	0.5
91.05473	0.5
93.07040	0.4
95.01049	2.6
96.01872	1.1
101.31817	0.4
105.07038	1.3
112.01320	0.5
113.02132	2.7
119.08521	0.6
123.04348	0.4
133.06482	0.6
137.09653	0.5
157.04742	0.5
161.05965	1.4
167.03169	0.6
167.07112	0.7
168.07346	0.6
184.05034	0.5
185.04192	3.8
185.05698	0.6
201.03714	1.2
202.06146	0.5
215.06760	1.0
217.04749	2.1
217.08333	2.1
232.07034	14.9
233.07852	0.8
250.69987	0.4
257.04520	0.6
264.64828	0.4
273.03842	0.7
285.03922	2.1
303.05200	0.9
327.04993	0.5
362.08572	0.5
379.13589	0.8
395.13065	7.7
407.13242	1.1
574.20001	0.7
575.20648	1.8
605.21973	100.0
606.22430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01859	9.1
55.05492	15.4
55.05726	4.0
57.03431	22.1
61.02916	42.6
67.05487	56.2
68.97982	3.5
69.03407	39.3
69.07066	12.2
70.06578	9.4
71.04591	3.3
71.04953	7.2
71.69868	7.2
73.02902	15.1
79.05476	63.4
81.03404	37.2
81.07045	40.8
83.04958	16.0
83.08617	7.2
83.11044	3.5
84.08125	9.1
85.02890	68.4
85.06515	4.2
86.09713	5.1
87.04453	8.4
91.03961	22.8
91.05468	59.0
93.07027	61.9
95.04954	21.5
95.08592	22.8
97.02871	56.5
97.06527	8.5
97.10172	4.8
99.04433	15.6
101.02369	7.2
103.03901	5.4
103.05481	3.8
105.07008	42.0
107.04944	16.5
107.08595	19.8
109.02844	15.7
109.06480	7.4
109.10127	6.5
111.04426	3.9
115.03912	3.4
117.06999	16.5
119.08577	32.4
120.08066	3.6
121.02827	4.3
121.06500	7.5
121.10122	13.0
123.04395	4.7
123.07991	5.8
127.03886	31.3
128.06273	5.5
129.06993	24.7
131.04965	4.4
131.08537	14.5
133.06473	10.3
133.10097	11.8
135.08057	6.2
135.11612	3.6
137.05887	6.4
141.06897	5.5
143.08533	16.4
145.04945	13.4
145.06483	5.2
145.10056	16.5
147.07983	5.7
147.11658	28.3
151.07475	5.2
155.08492	5.9
157.06508	4.6
157.10155	5.9
159.08012	6.0
159.11554	5.7
161.09566	5.1
161.13235	15.1
167.07039	5.0
171.07997	6.6
171.11667	28.6
173.04475	8.8
173.13326	3.5
183.06560	3.6
189.12714	14.8
207.13785	33.2
225.14737	4.3
242.90927	3.7
257.04312	4.1
257.15503	3.9
273.03824	4.7
281.17450	100.0
285.03876	8.9
287.16495	9.2
295.19128	4.2
303.04901	8.3
323.18509	11.1
327.04694	3.6
337.02890	3.4
343.19019	6.6
351.17755	3.5
361.20087	10.6
389.19406	5.9
407.20645	5.4
425.21512	9.4
443.22617	5.8
559.83051	3.7
630.05951	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	605.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45835	0.4
53.03932	0.6
55.01864	0.6
55.05494	2.3
57.03423	0.9
64.96945	0.4
65.03929	0.7
67.05496	22.0
69.03415	1.9
69.07061	1.3
69.43829	4.1
70.06569	0.7
78.47620	0.4
79.05483	2.5
81.03397	1.3
81.07047	10.2
85.02898	0.5
91.05464	2.6
93.07040	2.6
95.04951	3.2
95.08591	5.3
97.02872	0.6
99.08049	1.0
103.03954	0.7
107.01291	0.7
107.08601	2.1
109.02847	0.8
109.06493	1.9
109.10139	36.9
110.10457	1.0
111.11137	0.4
117.07024	0.6
119.08589	3.2
121.10085	0.7
126.06992	0.4
127.03908	0.8
129.10194	0.4
137.09592	67.8
138.09929	1.4
155.04893	1.5
155.10692	1.1
165.09094	37.2
166.09389	0.7
167.07130	0.5
183.04427	1.4
183.10143	2.7
186.42833	0.4
189.16284	0.5
190.29616	0.4
201.05461	1.4
201.11136	2.1
205.04729	0.5
211.03868	6.5
219.02919	0.7
220.23059	0.4
225.05481	1.2
229.04909	3.9
239.03386	1.2
245.04538	1.0
253.04919	0.8
255.02974	0.4
256.03680	0.5
257.04410	39.8
258.04755	1.1
260.03119	1.5
261.03894	5.7
267.02820	3.2
271.06003	2.5
273.03903	22.5
274.04541	1.5
281.04437	0.5
285.03894	100.0
286.04315	2.4
287.01895	1.0
287.04834	0.6
295.06033	1.3
297.03918	2.4
297.06909	0.5
298.04538	0.6
299.05420	7.2
301.03558	0.7
303.04953	32.4
304.05283	1.2
309.13361	1.5
311.05502	1.6
313.07114	1.2
323.05359	1.5
325.03519	0.7
327.04971	11.3
327.14417	1.7
339.04922	4.2
341.06296	0.8
345.15280	1.0
351.05005	2.7
357.06012	1.9
369.06003	8.5
387.07007	5.6
405.08075	4.7
428.43777	0.4
455.83047	0.4
467.13245	2.8
485.14410	7.3
587.16711	0.6
605.18970	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	603.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01868	4.2
55.05505	31.7
57.03413	3.0
57.07056	8.8
65.03927	3.0
67.05494	52.7
69.03416	3.6
69.07049	30.0
70.09198	2.1
71.04964	3.6
71.08617	26.1
71.69939	3.4
79.05479	35.0
81.07043	59.8
83.04961	4.2
83.08606	23.5
85.06519	5.5
91.05460	28.1
93.07024	50.9
94.07375	2.7
95.04960	5.4
95.08587	37.0
97.06501	4.5
97.10143	22.3
99.08075	15.3
103.05485	2.2
105.07007	39.6
106.07326	5.4
107.08573	40.0
108.08915	5.4
109.06493	4.3
109.10122	23.1
117.07000	11.9
118.09112	2.2
119.08560	51.6
120.08890	3.5
121.06422	2.4
121.10125	21.9
122.10463	2.4
123.08061	5.4
123.11701	6.7
125.09610	17.6
127.11175	2.8
129.06975	8.4
131.08536	22.8
132.08864	3.9
133.10120	17.9
134.10414	3.7
135.08083	6.7
135.11697	10.1
137.09589	3.9
141.06989	3.2
143.08537	8.7
145.10081	29.2
146.10474	4.8
147.11670	7.8
148.11929	2.5
149.09610	5.1
149.13211	3.3
151.11189	2.8
153.09035	3.9
155.08476	4.9
156.09334	2.9
157.10106	15.8
158.10410	3.1
159.08095	3.0
159.11688	13.3
160.11920	2.6
161.09610	3.3
161.13187	6.2
163.14844	3.8
167.10698	6.9
168.11070	3.4
169.10109	6.3
170.10533	3.9
171.11673	9.0
173.11777	2.6
173.13261	8.0
175.14816	12.5
177.16322	3.6
181.10077	3.3
183.11687	6.6
185.13274	6.3
187.14769	6.5
189.16449	3.1
195.11682	4.4
197.13196	7.9
199.14827	9.3
199.41925	2.2
201.16396	8.3
203.12784	7.3
209.13225	2.6
211.14838	5.4
213.16284	3.6
215.14349	2.5
215.17978	5.3
221.76952	2.1
223.14847	2.6
233.15352	4.1
234.15762	2.7
253.19522	3.8
273.18652	2.2
287.23590	2.9
305.24634	2.4
331.26367	3.0
333.27734	4.2
346.34045	2.2
371.33029	5.2
403.35583	25.2
407.33011	20.8
425.34052	21.8
439.35840	4.9
444.71204	2.4
457.36835	10.6
473.39636	3.7
477.39349	4.6
489.39331	100.0
503.41248	5.2
521.43347	5.3
553.46027	5.9
571.47113	13.0
578.37958	2.6
585.49036	21.2
603.39600	2.4
603.49384	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	603.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
61.02920	3.5
65.34095	0.7
66.23891	0.7
68.05018	13.9
69.07069	0.6
69.64795	4.6
70.06579	100.0
71.06915	1.3
72.08141	15.2
73.02905	1.5
81.90638	0.6
82.52349	0.6
85.02898	3.3
86.06052	45.6
86.09692	5.8
91.03952	2.0
94.26293	0.6
96.04457	1.1
97.02880	1.9
98.06042	8.7
100.07593	1.0
113.07143	1.1
114.05508	3.0
114.09161	0.8
126.05470	3.3
127.03979	0.9
128.07082	2.9
132.10252	1.1
142.05020	1.5
169.13330	18.1
181.13342	1.2
183.11293	0.6
183.14893	1.1
197.12820	27.9
198.13202	0.6
199.14400	4.0
211.10849	1.4
211.14445	2.5
227.13934	0.6
231.13423	3.5
239.13947	1.0
245.14932	44.1
248.11356	0.8
287.16037	2.6
299.49673	0.6
328.18839	1.7
342.20148	15.2
393.18704	2.2
407.20148	23.9
408.20364	0.8
441.26999	22.1
442.27612	0.9
457.04105	0.6
483.28250	1.6
490.24158	1.8
498.20105	0.7
504.25467	23.2
505.26001	1.0
603.32147	8.3
604.32275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.9
61.02919	3.5
68.05019	10.8
69.03419	1.0
70.06579	100.0
71.06897	0.5
71.69356	0.8
72.08138	5.6
73.02904	1.5
81.03400	0.4
84.08132	0.7
85.02882	3.0
85.25463	0.4
86.06051	41.2
86.09689	13.9
86.10202	0.9
87.06390	0.4
91.03951	2.9
95.73450	0.4
96.04491	0.9
97.02880	1.9
98.06036	6.9
100.07623	0.7
106.29243	0.5
110.05958	0.4
112.07600	0.5
114.05540	1.9
118.08683	0.7
126.05503	3.0
127.03934	0.8
128.07060	3.0
128.10770	0.6
132.10233	0.4
142.04984	0.7
145.05013	0.5
155.15530	0.5
167.11829	0.9
167.15489	0.5
169.13342	5.1
176.80249	0.4
183.11288	0.5
183.14896	13.8
185.12801	2.9
197.12811	6.8
199.14449	1.3
211.14383	20.6
213.12334	0.8
227.13982	0.8
230.14175	0.7
231.13353	31.8
232.13777	0.9
245.14948	10.6
248.11162	0.6
253.15520	1.0
273.14417	1.5
324.19351	0.8
328.18610	9.4
342.20172	2.9
357.16626	0.7
393.18610	17.2
407.20190	5.7
408.20981	0.4
421.22137	0.5
441.27023	22.9
442.27289	0.6
483.28180	2.6
490.23837	13.3
504.25330	5.6
560.57294	0.5
585.06494	0.7
603.32245	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.7
55.01860	4.5
55.05502	25.2
57.07062	11.4
62.18595	2.8
65.03934	5.2
67.05491	32.9
69.03406	15.3
69.06733	3.0
69.07058	29.6
70.28488	2.5
71.04984	5.1
71.08598	2.9
71.70249	4.6
79.05476	40.5
81.03403	6.0
81.07040	51.9
83.04961	21.6
83.08617	17.3
85.06516	3.6
87.04433	6.1
89.06034	2.6
91.05463	61.7
93.07027	76.3
95.04952	24.8
95.08588	47.4
97.06498	14.9
97.10164	3.2
103.05451	4.3
103.43396	2.3
105.04483	3.7
105.07010	100.0
107.04966	2.7
107.08574	82.0
107.26847	2.8
109.06507	15.2
109.10135	38.3
111.08067	7.3
111.11687	6.7
113.09588	5.4
115.05443	6.6
117.06995	22.0
119.08562	94.6
121.06523	13.3
121.10127	83.7
123.08039	12.8
123.11680	11.6
125.05978	2.9
125.09620	15.8
128.06197	11.6
129.06979	16.5
130.07744	10.2
131.08543	48.6
133.06435	5.2
133.10107	59.9
135.08063	14.6
135.11658	20.2
137.09579	13.5
139.11183	4.5
141.07027	6.6
142.07791	18.2
143.08522	44.0
144.09297	9.3
145.06465	5.4
145.10104	68.9
146.10580	2.6
147.07961	7.5
147.11653	22.3
149.09581	19.3
149.13210	3.9
151.07501	3.7
151.11197	6.6
153.06955	6.6
154.07578	3.4
155.08530	18.1
155.10629	6.4
156.09360	17.5
157.10103	57.8
158.10866	6.5
159.08093	14.8
159.11673	39.1
160.08731	2.7
161.06049	3.6
161.09572	13.2
161.13260	7.5
163.11154	11.1
165.06923	6.0
165.09070	6.4
166.07744	3.9
167.08530	11.3
167.10657	61.5
168.09355	7.7
169.10118	27.3
170.10843	8.8
171.11671	36.2
172.12421	4.1
173.09570	6.9
173.13228	25.7
175.11174	13.8
175.14751	14.7
179.08505	12.0
180.09267	5.4
181.10135	17.0
181.12137	4.7
182.10857	9.0
182.12488	3.0
183.11676	20.4
185.09616	4.7
185.13177	18.2
187.11166	5.9
187.14798	9.3
189.12756	5.5
191.14322	5.5
193.10124	10.0
193.12050	2.4
194.10876	7.8
195.11623	19.6
196.12428	8.7
197.13242	24.1
198.10521	3.8
198.13914	3.4
199.11166	4.5
199.14722	13.8
201.12724	6.2
201.16367	5.9
203.14322	5.0
205.10156	5.2
206.10916	4.1
207.11655	12.3
207.13519	2.9
208.12508	5.9
209.13220	28.3
209.15089	4.7
210.13760	2.7
211.11113	3.3
211.14803	12.6
213.12759	4.0
213.16412	3.4
215.14261	5.0
217.15813	4.0
219.11662	4.3
220.12390	3.9
221.13237	14.4
221.15321	15.9
223.11188	3.7
223.14772	15.7
224.15518	5.1
225.12657	4.5
225.16359	7.0
225.66270	2.9
226.19456	2.6
227.14188	4.6
229.15948	4.2
231.11586	2.8
233.13229	5.4
233.15340	25.2
234.13884	3.7
235.14771	9.6
237.16359	8.3
245.13237	5.4
247.14764	6.7
249.16267	9.2
251.17902	6.0
255.17455	4.2
259.14694	4.6
261.16312	7.6
263.17749	4.6
265.19528	6.0
269.18918	6.2
273.16061	3.1
275.17737	4.0
277.19553	5.9
281.18988	4.7
285.18536	5.7
287.20209	3.6
299.20276	3.3
331.24448	3.3
365.24472	3.8
373.43192	3.6
506.25589	2.7
565.40076	5.6
583.41284	5.8
601.22552	3.6
601.41608	18.6
602.23053	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.1
51.04948	2.0
53.03936	3.7
55.01858	3.2
55.05505	26.3
57.03408	2.4
57.07062	13.6
57.32845	2.7
59.04978	5.2
60.82676	2.0
65.03921	5.2
67.05187	2.7
67.05498	32.5
69.03413	19.6
69.07056	21.5
71.58052	2.1
73.52885	2.0
77.08591	2.3
79.05085	3.0
79.05482	36.0
81.07044	50.1
83.04971	17.2
83.08604	16.2
84.77169	3.3
85.02872	2.2
85.06527	5.4
87.04457	4.1
91.05464	63.8
93.07030	72.6
95.04951	28.0
95.08591	43.1
97.06509	13.3
99.08039	2.6
103.05442	4.8
105.07014	100.0
106.07273	3.4
107.04912	7.6
107.08579	73.5
109.06511	23.0
109.10142	31.9
111.08041	5.6
111.11694	3.2
113.05923	3.6
115.05424	7.6
116.06223	3.0
117.07001	25.6
119.07732	4.7
119.08567	90.9
120.08871	2.4
121.06458	11.0
121.10129	82.2
122.66540	2.8
123.08054	23.2
123.11684	9.9
125.05943	5.0
125.09615	13.7
128.06180	12.2
129.07001	18.2
130.07813	11.1
131.08557	41.7
133.06461	5.3
133.09177	3.8
133.10115	62.9
135.08072	19.5
135.11681	22.1
137.09616	16.4
137.13043	2.7
139.11096	4.1
141.06935	8.2
142.07771	24.7
143.08543	47.7
144.09335	10.8
145.06462	2.9
145.10106	63.6
146.07231	3.8
146.10460	2.6
147.08046	20.0
147.11678	21.7
149.09601	17.7
149.13206	3.3
151.07500	9.2
151.11133	4.6
153.06912	3.0
154.07762	4.2
155.08575	17.9
155.10670	3.6
156.09314	18.0
157.10104	59.2
158.10779	8.3
159.08005	12.2
159.11656	38.7
160.08801	3.7
160.12352	3.6
161.09579	14.8
161.13184	9.4
163.11151	12.7
165.07030	5.9
165.09113	26.3
166.07684	2.4
167.08519	9.8
167.10658	47.7
168.09332	6.4
169.10121	29.8
170.10823	9.9
171.11667	36.3
172.12259	3.4
173.09579	4.6
173.13228	19.1
174.10286	3.4
175.11139	11.0
175.14809	12.3
177.12703	4.2
179.08490	13.2
180.09261	6.3
181.10138	17.9
181.12190	9.2
182.10835	7.6
183.08003	2.8
183.11661	27.1
184.12360	4.7
185.09581	7.6
185.13211	22.8
187.11125	7.3
187.14789	6.9
189.12666	8.3
191.14236	8.4
192.09363	5.1
193.10144	12.9
193.11864	2.3
194.10815	8.2
195.11688	23.6
195.13451	3.9
196.12399	8.1
197.13237	22.3
199.11131	7.0
199.14810	16.5
201.12726	5.1
201.16350	3.8
203.14288	15.5
206.10863	8.2
207.11650	16.4
207.13792	8.1
208.12355	9.5
208.14195	2.8
209.13216	21.6
209.15225	5.5
210.13913	6.3
211.14804	18.7
212.11774	3.0
213.12646	5.1
213.16307	6.6
215.14308	3.7
217.15889	6.7
219.11621	6.6
220.12312	3.8
221.13235	10.8
221.15315	76.5
222.13866	4.7
222.15793	5.4
223.14796	13.7
225.12799	3.2
225.16299	10.1
227.14351	3.9
229.88057	3.0
231.11586	6.1
232.12274	4.6
233.13155	6.3
233.15356	19.8
234.15945	3.5
235.14774	8.5
237.16353	7.7
238.15117	4.1
239.14217	4.6
239.17824	3.5
241.15958	2.7
245.13158	4.7
247.14717	8.3
247.16997	3.5
248.15584	2.9
249.16368	3.8
251.17926	3.8
253.15906	5.2
253.19431	2.5
256.17664	3.3
257.18964	3.8
260.15399	2.9
261.16263	5.6
261.18777	2.6
263.17981	5.2
265.19458	8.6
266.81345	2.4
269.19006	6.5
273.16171	4.1
275.17691	3.4
277.19479	4.5
279.17542	3.3
281.18817	4.3
283.20474	7.9
285.18579	5.3
287.19983	8.8
289.19470	4.0
291.19492	4.2
295.20578	5.8
299.20108	4.4
300.20691	3.4
301.21533	6.4
303.19656	4.6
304.19861	4.3
311.20078	3.9
317.22610	3.3
325.21396	2.8
330.28372	2.3
331.24176	3.5
347.23221	3.3
349.25122	5.6
352.23792	8.7
353.24451	14.2
353.28372	2.5
361.25195	4.6
365.24637	5.6
366.24985	3.6
367.26242	7.7
377.24460	3.4
473.34079	2.8
503.34821	3.4
508.34805	3.3
521.35577	10.1
565.40247	6.2
583.41559	17.3
601.42322	36.4
601.51379	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.0
53.14704	2.3
55.05507	22.6
57.07065	9.1
59.05006	2.4
65.03929	5.4
67.05490	35.4
69.03423	15.9
69.07059	29.9
69.41448	18.7
69.41856	6.3
70.62606	2.2
71.04983	3.4
79.05477	31.6
81.07042	48.5
83.04967	20.7
83.08621	16.9
85.06509	3.2
87.04456	4.5
90.86569	2.3
91.05466	62.0
93.07029	78.7
95.04950	30.4
95.08589	37.7
96.66698	2.2
97.06522	10.5
103.05450	5.5
105.07015	100.0
107.04871	2.8
107.07910	4.5
107.08582	70.2
109.06509	16.2
109.10148	31.2
111.08085	4.1
113.05909	2.3
113.09585	4.4
115.05466	8.3
117.07008	24.2
119.08561	92.8
121.06475	9.9
121.10130	82.0
123.08067	15.3
123.11682	9.6
125.09617	12.8
128.06232	12.0
129.07028	15.5
130.07761	8.9
131.08557	45.9
133.06560	3.3
133.10109	64.5
135.08040	16.3
135.11681	23.2
137.09583	10.9
139.04080	2.3
139.11163	8.6
141.06970	9.7
142.07756	21.0
143.08539	40.7
144.09348	11.8
145.10094	72.3
146.07298	3.1
147.08015	9.9
147.11665	26.7
149.09576	20.2
149.13197	6.4
151.11116	4.3
153.06963	3.0
155.08539	16.4
155.10619	5.7
156.09363	17.1
157.10106	54.5
158.10832	8.3
159.08026	18.4
159.11681	39.6
161.09612	13.5
161.13257	7.5
163.11182	9.2
164.01508	2.6
165.06993	7.6
165.09079	8.7
167.08530	10.1
167.10652	57.5
168.09366	8.1
169.10080	33.8
170.10872	10.2
171.11638	33.4
173.09619	10.0
173.13229	25.4
175.11224	8.9
175.14833	14.9
179.08482	12.3
180.09276	5.6
181.10092	15.2
181.12334	3.2
182.10913	7.7
183.11670	29.1
184.12392	7.3
185.09515	4.2
185.13245	20.3
187.11189	7.6
187.14851	11.0
189.12746	7.5
191.14323	6.6
192.09450	3.0
193.10138	10.2
193.11827	2.6
194.10870	9.8
195.11702	21.6
195.13431	3.7
196.12440	10.5
197.13228	21.1
199.11188	6.2
199.14796	15.1
201.12753	6.7
201.16302	6.0
203.08458	2.6
203.14354	6.7
205.10124	3.3
206.10852	7.8
207.11617	18.5
208.12413	6.9
209.13234	25.8
209.15097	4.4
210.13902	3.9
211.11278	3.0
211.14790	11.7
213.12779	5.9
213.16382	5.1
215.14349	8.1
217.09955	2.7
217.15776	3.5
219.11656	5.0
220.12488	5.5
221.13237	14.4
221.15372	18.6
222.13940	3.6
223.14792	13.9
224.15495	3.6
225.12720	3.4
225.16373	4.5
227.14279	6.6
229.15964	3.7
231.11684	4.3
231.17224	2.5
233.13176	7.0
233.15263	29.8
234.13892	3.2
235.14833	11.2
236.15393	2.9
237.16389	7.0
239.18004	4.3
241.15712	3.2
245.13120	4.8
247.14767	6.3
247.17043	3.5
249.16362	7.1
251.17912	5.9
253.19516	2.9
255.17435	4.1
257.18866	4.3
259.14740	5.7
260.15472	2.5
261.16327	6.1
263.17984	6.5
265.19412	4.3
269.19019	10.8
273.16083	3.7
275.17603	3.2
277.19540	3.2
283.20483	6.8
285.18640	5.3
291.21198	4.0
295.20325	3.1
299.20239	5.7
311.20178	3.5
315.67664	2.9
329.22678	2.8
349.25296	4.1
361.25275	3.8
377.24539	2.8
469.12784	2.6
565.40387	3.0
583.41193	11.6
601.42108	8.8
627.52185	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	601.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
61.02901	0.5
67.05489	1.0
69.03422	0.4
70.06572	0.8
70.48063	0.6
70.48413	1.2
79.05489	0.7
81.03394	0.7
81.07037	0.6
83.05012	0.4
84.08127	0.5
85.02872	0.5
91.05473	1.5
93.07038	0.4
94.13412	0.3
95.04922	0.4
95.08585	0.7
97.06516	0.4
100.45924	0.4
105.07000	1.0
106.43356	0.4
107.04939	0.3
107.08582	0.4
119.08572	0.4
121.02833	0.4
137.05968	0.6
147.11722	0.4
149.05849	0.4
151.03900	0.4
171.26248	0.4
203.05234	0.9
245.65678	0.3
257.04462	0.6
259.07870	1.3
267.14322	0.4
273.03864	0.5
285.03949	1.6
303.04968	0.6
331.10083	0.6
365.22446	1.1
431.18790	1.6
439.26654	1.7
501.22629	0.8
503.24854	1.7
531.23975	1.3
571.30817	0.5
591.19873	0.4
601.31873	100.0
602.32275	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.4
55.05497	17.3
57.07058	7.7
57.84346	2.1
59.04990	3.7
64.05151	2.2
65.03923	4.9
66.12439	1.9
67.05490	30.6
67.68034	2.0
69.03421	16.4
69.07057	24.4
79.05482	30.4
80.76201	2.1
81.07043	44.0
83.02917	2.2
83.04957	19.2
83.08609	16.4
85.06525	6.0
87.04438	3.3
89.73301	2.0
91.05461	62.6
93.07027	78.2
95.03915	2.2
95.04960	20.7
95.08595	37.4
97.06515	12.9
98.20561	5.0
103.05451	4.0
104.58961	2.2
105.07010	97.1
105.07721	5.0
107.04956	2.7
107.08578	75.1
109.06496	21.9
109.10140	25.2
111.08058	5.2
111.11701	2.3
113.09602	6.2
115.05412	4.2
115.96313	2.3
116.06188	4.2
117.07021	20.8
119.08562	100.0
121.06475	9.0
121.09250	4.5
121.10128	85.4
121.66212	2.5
123.08097	13.9
123.11652	11.3
125.05957	2.6
125.09621	18.0
128.06242	13.4
129.06993	22.5
130.07758	7.6
131.08542	43.1
133.06476	3.5
133.10106	58.2
135.08035	17.9
135.11685	19.8
137.09610	8.3
139.11185	6.6
139.43008	2.6
141.06973	7.9
142.07767	18.9
143.08534	42.3
144.09317	9.9
145.10100	67.1
147.08032	10.3
147.11655	19.6
149.09587	20.3
149.13298	3.4
151.07535	2.5
151.11160	3.4
153.06967	4.8
154.07823	2.7
155.08533	18.2
155.10677	6.5
156.09311	16.4
157.10100	53.2
158.10812	5.5
159.08069	15.3
159.11684	33.3
161.09564	15.7
161.13210	9.3
163.11171	10.0
165.06992	5.5
165.09084	7.0
167.08582	12.5
167.10666	70.3
168.09355	7.6
169.10114	23.9
170.10924	9.4
171.11656	37.1
172.12482	3.0
173.09607	4.6
173.13211	21.1
175.11176	7.3
175.14815	16.4
176.15135	2.1
177.12758	2.8
179.08553	10.7
180.09244	6.3
181.10100	11.5
181.12189	3.4
182.10872	7.9
183.11647	25.1
184.12325	3.4
185.09610	5.1
185.13246	15.4
187.11153	7.1
187.14813	11.4
188.96448	2.6
189.12735	5.9
191.14377	5.7
192.09334	6.8
193.10077	14.5
194.10880	12.2
195.11626	19.9
196.12431	7.5
197.13216	25.1
199.11180	3.8
199.14796	14.4
201.12759	6.2
201.16319	3.5
203.14246	5.2
205.10065	3.4
206.10831	6.5
207.11758	13.8
208.12462	6.1
208.74451	2.4
209.13234	21.9
210.13892	4.7
211.11195	3.2
211.14799	12.9
212.15392	2.3
213.12671	4.2
213.16257	4.2
215.14345	5.1
217.15887	4.2
218.10753	3.9
219.11685	4.5
220.12482	6.2
221.13168	11.0
221.15353	14.0
223.14803	17.1
225.12714	5.3
225.16348	8.5
227.14299	5.7
229.91162	2.8
233.13144	5.9
233.15353	26.0
235.14812	10.2
236.15462	2.9
237.12750	3.2
237.16350	6.9
238.16960	2.7
239.17891	5.6
241.19466	2.8
245.13185	4.4
246.13899	3.5
247.14815	4.9
249.16354	5.4
250.17007	3.0
251.17909	9.9
253.15790	4.1
255.17484	3.3
256.17688	2.8
257.18933	3.1
258.13818	2.9
259.14853	4.4
260.15408	3.8
261.16327	7.2
263.18073	5.4
265.19525	5.9
269.18979	7.0
275.17896	3.5
277.19556	4.9
279.20883	2.4
281.19150	5.4
283.20483	4.2
285.18564	3.4
287.20032	6.5
289.19315	2.5
295.20612	3.5
297.22125	2.7
299.19949	4.8
301.19098	2.4
311.20337	2.7
317.22797	2.8
349.24988	3.6
367.26199	2.7
491.35220	4.0
565.40039	5.1
573.98267	2.4
583.41235	9.5
601.42310	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44441	0.7
55.01862	0.6
55.44870	0.7
56.96556	1.1
57.03439	0.6
59.88401	0.7
67.05486	0.7
70.06568	1.2
72.08142	1.4
79.05492	0.9
79.65266	0.6
81.07029	1.6
83.07008	0.6
84.08147	0.6
85.02871	0.7
91.05463	1.4
105.07028	0.7
107.04921	0.9
118.47666	0.7
125.18014	0.7
137.05927	0.8
147.04276	0.6
149.01192	1.1
219.54137	0.6
270.47559	0.8
285.03970	1.5
365.16367	0.8
583.27283	0.8
601.26147	100.0
602.26691	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	601.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54660	1.2
54.91480	1.4
55.01856	2.7
55.05479	1.6
57.03419	2.3
65.03922	2.0
67.05468	3.7
68.99760	1.2
70.06581	3.7
70.47892	5.8
72.08126	2.0
77.13403	1.3
79.05463	2.4
81.03409	1.9
81.06992	1.2
83.04971	8.2
84.08110	2.7
85.02892	4.9
85.04143	1.2
86.09687	3.1
91.05460	12.7
95.04956	3.1
98.21352	1.7
102.04639	4.1
103.05435	3.0
105.07030	12.5
107.01295	1.5
107.04900	2.2
109.02830	2.2
109.10098	1.5
115.05451	3.4
118.04107	3.3
119.04940	11.5
121.02837	2.1
130.04144	7.2
131.04904	3.0
133.02776	2.1
133.06445	6.3
133.10088	3.8
137.05946	15.0
146.03595	41.7
147.04393	21.1
148.05103	4.1
149.05911	2.3
150.06734	1.9
151.03897	2.6
151.07452	3.0
159.04404	1.3
161.05952	57.1
161.09494	1.4
162.06743	15.6
163.03922	1.4
167.07014	34.2
168.07312	12.9
171.04343	1.6
179.10558	3.2
193.08545	4.9
194.08931	3.7
197.11760	1.4
199.03899	3.6
201.01811	1.5
201.05374	2.8
211.03839	3.1
211.09659	2.1
212.09995	1.6
215.03334	6.3
217.05003	3.6
219.02740	1.5
225.05600	3.2
227.03375	4.3
228.04056	6.5
229.04863	7.2
231.02847	3.3
237.05466	2.3
239.03343	1.5
241.04933	8.7
243.02870	28.3
244.03546	4.6
245.04402	13.8
246.05177	3.2
249.05524	1.4
252.04193	1.4
253.04889	5.4
254.05698	2.7
255.02800	5.6
255.06421	2.4
256.03629	5.5
257.04431	24.4
258.05139	2.3
260.03116	2.3
261.03891	4.6
266.05862	1.4
267.02795	3.2
269.04440	8.5
270.05148	3.2
271.02432	7.9
271.05936	5.6
272.03149	16.8
273.03885	78.0
274.04559	5.5
277.04831	1.9
278.05734	2.0
281.04514	5.9
283.02356	4.8
283.05917	6.0
285.03922	30.2
285.07098	1.5
287.05353	2.3
293.04340	3.4
295.06055	2.4
297.03897	9.2
298.04587	6.3
299.02112	2.7
299.05371	17.0
301.03424	3.3
302.04120	3.9
303.04907	28.5
309.03873	6.1
310.04684	3.1
311.05301	6.1
312.06091	3.7
313.03763	1.4
313.06894	7.1
315.04858	2.0
321.03821	5.2
323.05411	2.5
324.06125	1.4
325.03278	1.9
326.04126	2.9
327.05008	8.7
338.04123	4.1
339.04910	11.8
350.04089	2.2
351.04813	3.9
357.05988	3.1
368.05157	1.8
369.05972	5.1
389.06467	1.7
403.07739	1.8
413.06543	2.3
418.06573	1.7
420.08069	2.1
421.09180	10.3
431.07245	9.4
433.09106	33.1
434.09387	1.7
439.09924	3.8
445.08981	2.7
447.10715	3.1
451.10165	100.0
452.10437	3.6
455.07645	3.4
459.10721	7.6
463.10037	16.6
473.12064	4.6
481.10992	61.2
482.11435	3.5
487.10019	11.5
491.12833	1.6
497.08508	1.9
499.10092	5.8
505.11221	69.4
506.11078	2.3
517.10834	12.3
519.12628	2.0
529.11273	16.1
535.12311	24.4
547.12201	36.4
548.12244	2.2
565.13354	56.3
566.13513	2.8
583.14191	25.1
601.17621	2.7
601.27869	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	601.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
57.03419	1.5
64.98593	0.7
69.03402	2.1
70.06571	1.5
71.26846	1.1
71.27175	1.3
81.03422	1.3
84.08156	0.9
84.13853	0.7
85.02911	4.1
86.09731	0.9
97.02877	1.8
109.02843	0.9
121.02814	0.9
137.02310	1.0
143.16768	1.1
153.01756	2.8
169.01254	1.1
196.85669	0.7
203.03369	1.6
215.03432	1.2
217.04910	1.9
227.03413	1.1
231.02789	3.5
235.02251	1.2
237.05513	1.3
241.04993	1.8
243.02824	1.2
245.04454	4.5
247.02217	1.1
255.02809	2.8
257.04358	2.0
259.02371	6.9
259.04929	0.9
259.05832	0.8
261.03961	5.7
265.04935	1.3
269.04333	4.0
271.02213	1.5
273.03873	27.9
274.04196	1.1
276.02576	10.6
277.00311	1.9
277.03387	40.0
278.03775	1.3
283.02344	3.7
283.05771	1.0
284.03024	1.0
285.03873	2.1
287.01865	5.1
287.05420	7.1
289.03372	100.0
290.03909	3.8
291.04202	0.9
293.04349	1.6
297.03909	7.6
298.04666	0.8
299.05396	1.9
301.03409	14.8
301.06744	1.1
303.04984	3.4
309.03973	1.4
311.05380	3.8
313.03363	3.6
313.06821	1.7
315.04944	25.0
319.04431	69.3
320.04752	1.7
325.03244	1.9
327.04916	3.0
329.02985	1.0
329.06448	5.1
335.39798	0.9
339.05057	4.2
343.04422	44.8
349.03394	0.9
355.04318	11.1
357.06033	1.9
367.00134	1.3
367.04428	15.1
373.05499	19.6
385.05481	20.4
403.06522	22.8
421.07584	23.5
439.08548	7.0
440.09656	1.0
451.08789	4.4
481.09537	3.7
505.09625	2.7
535.11035	1.9
547.10699	1.5
565.11475	1.9
583.12225	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88943	2.8
55.05492	3.6
57.07061	11.0
59.04998	3.2
67.05495	15.4
69.03423	10.6
69.07056	8.3
69.82439	11.2
69.82867	10.2
76.32468	3.3
79.05480	17.7
81.07054	26.3
82.07383	3.2
83.04964	7.9
85.06531	4.9
89.06021	7.0
91.05461	22.3
93.07034	32.8
94.07330	3.2
95.04942	11.7
95.08598	23.0
97.06516	6.8
99.77117	3.2
102.74409	3.3
105.07008	47.0
107.08553	22.7
109.06507	11.5
109.10155	8.8
110.46608	2.8
117.06997	9.2
119.08560	60.4
120.08869	3.1
121.06483	9.0
121.10131	19.8
123.08073	18.4
125.05992	6.8
128.06203	5.0
129.06985	8.5
130.07770	4.1
131.08560	16.6
133.06439	4.8
133.08585	4.9
133.10092	15.1
135.08040	14.3
135.11754	3.8
137.09605	9.7
139.07521	4.6
141.06976	3.1
142.07791	9.1
143.08530	16.0
144.09361	6.5
145.10110	30.8
147.08038	30.6
147.11676	7.2
149.09587	13.6
151.07542	11.4
155.08493	8.1
156.09317	7.0
157.10098	26.1
158.10823	3.6
159.08015	5.8
159.11678	21.2
161.09579	11.1
161.13261	5.6
163.11192	18.3
165.06996	4.0
165.09088	47.7
166.09468	6.5
167.08578	4.3
168.09250	4.8
169.10071	15.2
170.10765	4.5
171.11646	14.9
173.09596	6.7
173.13257	7.9
175.11157	15.4
175.14842	3.4
179.08484	4.8
180.09399	3.2
181.10150	5.5
181.12225	15.3
182.10982	3.8
183.11668	14.7
185.13271	9.7
187.11169	5.0
187.14854	7.6
189.12740	5.2
190.13518	9.1
191.10611	4.0
193.10213	5.6
193.12259	9.9
195.11641	10.7
196.12358	4.3
197.13252	8.6
199.11148	7.6
201.12773	6.2
203.14297	19.5
207.11894	3.6
207.13840	8.9
208.14558	5.6
209.13228	10.0
211.14703	6.4
213.12743	4.1
219.13762	7.6
221.13354	6.5
221.15320	100.0
222.13809	4.6
222.15739	11.7
223.14655	3.6
227.14249	3.6
234.16115	19.6
235.14706	4.2
247.16919	31.7
248.17461	3.4
265.15814	3.4
274.19339	11.1
277.15945	3.0
287.20001	10.8
299.20029	14.8
312.20724	6.9
313.21552	9.7
325.21603	10.4
326.22064	3.6
327.23090	5.3
339.23105	6.5
340.20203	3.4
340.23853	19.1
352.23941	27.0
365.24527	4.4
366.25198	4.0
387.25375	6.0
413.26797	5.5
419.29532	8.4
425.26740	5.8
427.28238	14.2
440.29065	44.1
508.34772	6.1
520.35339	25.0
600.41510	34.0
601.43152	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	600.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	1.1
55.05496	4.0
56.05022	0.6
57.03431	0.7
57.07067	0.7
58.99583	1.1
67.05490	9.4
69.03413	0.7
69.07054	3.3
69.23950	0.5
70.06561	0.6
70.86816	1.7
71.04987	1.1
74.00638	2.8
76.02208	1.9
79.05482	7.8
80.05008	1.4
81.03398	1.2
81.07045	19.4
82.06616	0.6
83.04974	1.6
83.06092	1.5
83.08614	2.6
84.04492	4.5
85.01109	1.2
85.06522	0.8
86.00644	1.3
88.02185	0.5
91.05461	6.3
93.07022	8.5
94.06545	1.0
95.04962	2.6
95.08590	10.8
96.08107	0.7
97.01095	1.8
97.06535	1.5
97.10136	0.8
99.01402	4.1
99.02658	0.6
99.05550	1.0
100.02186	7.4
105.07014	7.0
106.06537	0.6
107.04953	2.1
107.06106	0.4
107.08569	5.2
108.08111	1.2
109.06499	3.9
109.10130	4.3
109.79745	0.5
111.02671	1.2
111.08071	0.6
112.02174	7.0
113.02956	0.9
113.04202	0.9
113.72268	0.5
114.03736	7.6
116.01658	1.9
117.07004	2.2
119.08561	5.7
120.08088	1.1
121.06501	1.5
121.10131	3.1
122.09686	0.7
123.02657	0.6
123.08035	0.8
125.04211	1.4
125.09632	0.8
126.03738	2.5
129.06628	2.3
130.04988	1.7
131.08554	3.4
133.10097	3.4
134.09636	0.9
135.08003	1.4
135.11687	1.1
137.09576	0.7
138.03696	2.6
139.03207	0.8
139.05750	0.9
140.05280	5.9
141.07152	0.5
143.08553	1.0
144.01183	0.5
145.06297	0.6
145.10094	3.1
147.07997	0.7
147.11650	4.4
149.04153	0.5
149.09612	1.0
149.13242	1.9
151.05771	0.8
151.11189	0.9
152.01657	0.5
152.05283	2.0
154.06857	1.9
155.05238	0.5
157.10112	0.9
159.11656	1.4
161.09503	0.5
162.02220	0.7
163.11165	1.5
165.12738	0.9
166.06761	0.7
168.08392	15.5
169.10182	0.7
171.11716	1.0
173.13222	2.6
175.11198	0.8
177.12717	0.7
179.04883	1.1
180.08401	0.8
181.06445	0.5
185.03816	2.3
185.89780	0.5
187.05411	0.6
189.12752	0.7
191.14349	1.1
202.04033	1.3
205.12213	0.5
209.15349	1.9
215.04820	1.1
216.05620	2.1
229.19431	0.6
231.04272	3.4
233.05911	1.4
234.65694	0.6
236.14536	1.0
236.16570	0.9
241.06361	1.1
248.16463	0.6
255.07982	2.5
257.18930	1.3
264.14108	6.1
269.09567	1.7
270.10315	7.7
270.13138	0.7
271.11020	1.6
275.20010	7.0
281.14349	2.4
282.15192	28.9
283.15631	0.9
293.21091	1.5
308.09030	1.4
323.16129	0.5
324.20013	0.5
332.20224	0.7
333.18768	2.3
339.17471	0.9
347.12921	1.1
350.21402	9.5
351.19815	2.2
368.22491	11.5
378.21005	1.6
384.17093	13.8
385.17737	3.1
453.24133	100.0
454.24503	3.9
479.25116	0.5
525.26233	5.6
526.67432	0.5
582.28357	2.0
600.29517	2.7
600.38068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51837	0.4
53.03933	0.7
55.01869	1.9
55.05501	5.7
56.05030	0.7
57.03423	0.4
57.07066	1.0
57.98792	0.6
58.99576	16.3
60.56028	0.4
61.01163	0.5
64.74812	0.4
65.79408	0.4
67.05498	8.3
69.03416	1.3
69.07054	6.6
70.06576	1.2
71.04980	1.1
71.67157	0.6
73.01103	0.6
73.69189	0.4
76.02216	79.3
76.03973	2.8
77.38386	0.4
78.03759	0.5
79.05486	7.1
80.05010	0.7
81.03443	0.6
81.06601	0.9
81.07050	12.7
83.04977	2.5
83.06100	1.6
83.08616	3.0
84.04491	15.3
84.08116	0.6
85.02927	0.6
86.63496	0.4
86.99031	4.0
88.02216	1.7
91.05475	8.0
93.07028	9.3
95.04960	2.8
95.08599	7.8
97.06522	1.5
97.10153	3.7
99.05582	1.3
102.05537	0.6
105.07017	9.7
107.04955	2.7
107.08581	8.9
109.06503	4.4
109.10139	3.6
111.08067	1.0
114.03735	1.0
116.01661	23.8
117.06988	3.0
119.08564	6.5
121.06524	3.6
121.10160	3.9
123.08037	2.0
123.11671	1.0
125.09628	2.6
129.06668	1.9
130.04988	7.1
131.08562	5.7
133.06479	1.4
133.10107	7.1
135.08018	1.5
135.11702	1.4
137.09583	1.1
141.04790	1.3
142.03197	8.7
143.08533	1.5
144.01123	12.5
144.92833	0.4
145.06154	1.4
145.10106	5.8
147.07999	2.3
147.11684	4.5
149.09616	2.4
149.13245	1.7
151.11192	1.7
155.08577	1.1
157.10094	1.8
159.08025	1.4
159.11696	3.0
161.09570	1.7
161.13255	1.6
162.02177	43.6
163.11159	2.4
169.10130	0.8
170.02629	3.5
171.11664	1.6
173.09657	0.9
173.13243	1.9
175.11203	1.1
177.12741	0.8
179.04825	100.0
179.14255	0.6
180.05151	0.9
183.11685	1.3
185.13173	1.1
187.05342	3.0
187.11151	1.1
188.03709	0.7
189.11194	2.1
189.12698	0.7
191.14203	0.7
197.13242	0.6
201.12836	1.2
207.13757	2.9
213.16299	0.5
215.04807	2.1
215.17827	0.6
219.13683	1.6
227.04979	0.7
229.19504	0.9
233.05869	13.9
233.15207	0.6
237.88745	0.5
239.17909	1.3
245.05919	4.0
247.20509	0.9
255.17300	0.6
257.19049	3.7
272.06638	0.7
273.18536	2.6
275.20029	31.9
276.20309	0.9
290.07956	0.9
291.06317	2.9
291.19543	3.0
293.21066	22.1
308.09052	31.0
333.18854	0.6
368.22507	11.4
378.21021	1.0
453.24066	5.3
471.25131	2.3
479.25647	0.7
507.24936	0.7
525.26062	4.1
582.27905	1.3
600.30078	11.7
626.10858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
61.02907	0.7
62.95467	0.6
63.72246	0.5
64.15026	0.5
67.05498	0.9
69.03406	1.0
70.06581	2.8
71.04984	0.8
71.70486	0.5
73.02886	0.6
84.08125	1.0
85.02885	2.4
86.09703	3.6
90.94712	0.5
91.05470	1.5
97.02882	1.1
100.11180	1.0
101.76893	0.5
105.03436	0.6
105.06982	0.9
107.04935	1.5
111.04413	0.6
115.05424	0.6
117.07021	1.1
117.60109	0.5
119.04888	0.5
121.02859	2.8
126.17123	0.5
128.06186	2.1
129.06978	5.3
130.07776	0.7
131.04895	0.6
131.08551	6.7
133.06459	1.4
137.02380	0.6
137.05946	2.4
140.55824	0.5
141.06973	2.4
143.08565	1.0
144.05627	2.7
145.06476	2.5
146.07281	0.8
149.05978	0.9
151.03891	2.0
153.06993	0.8
157.06461	3.6
158.07230	1.0
159.08032	13.3
161.05925	0.8
161.09616	2.4
167.07033	5.7
167.77454	0.6
168.07411	0.8
169.07629	0.7
170.07205	2.7
171.08028	2.1
172.05153	1.0
173.05942	1.3
174.06705	0.7
175.07516	1.2
177.05420	0.7
178.06078	0.7
182.15398	0.9
186.06808	0.8
187.07523	8.1
188.08189	0.7
189.05406	0.8
189.09081	3.5
193.08554	0.8
198.06581	1.0
199.07487	1.4
201.05504	0.5
203.07045	1.9
204.07819	5.8
206.09398	0.8
210.14876	0.9
216.07764	2.3
217.08658	0.8
218.09279	0.7
219.10118	5.4
221.11676	1.1
231.10110	3.4
233.11797	1.2
237.11200	1.3
249.11189	100.0
250.11462	1.5
251.12781	1.7
257.04419	0.9
267.12131	1.8
273.03793	1.0
285.04068	1.2
297.03912	0.6
299.05225	0.6
342.06070	0.8
370.12616	0.5
599.40411	0.7
600.13385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.47352	0.2
60.45897	0.2
61.02914	0.3
69.03415	0.4
71.04929	0.6
71.05271	0.4
78.04682	0.9
79.05488	0.7
81.03396	0.7
85.02885	1.2
86.99312	0.3
89.03909	1.2
90.04222	0.4
91.05470	0.8
93.07040	0.4
95.04946	0.6
97.02899	0.5
99.04451	0.3
103.05425	0.4
105.07002	2.3
106.04140	0.7
107.04937	1.1
108.99236	0.3
115.05418	0.9
117.03379	2.9
118.03666	1.0
121.06483	0.6
123.04406	2.4
124.05190	1.3
133.06462	2.4
134.03587	0.8
135.08031	0.3
137.05962	0.9
145.02824	6.6
145.06493	0.4
146.03160	2.7
149.05942	1.8
150.06317	0.5
151.03918	0.6
152.04666	1.4
161.05966	3.9
163.07532	0.3
167.07011	100.0
168.07346	1.2
177.05441	9.8
178.05779	4.6
179.07117	0.4
181.08556	1.0
190.80272	0.3
193.08574	9.6
211.09616	14.7
239.09167	0.6
241.10663	0.3
249.75009	0.3
257.04425	0.9
258.04608	0.4
262.04010	0.3
273.03937	1.0
274.04208	0.6
285.03854	1.2
286.04129	1.0
295.11731	0.4
303.04895	0.5
304.05328	0.6
319.11722	0.4
337.12793	0.4
355.14056	0.3
385.11185	0.3
411.31580	0.3
440.06070	0.3
462.09009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59408	3.5
50.77056	3.1
53.03928	7.5
55.01863	30.5
55.05277	4.6
55.05503	60.3
57.03426	4.0
57.07050	5.2
59.04988	4.1
65.03923	3.5
67.05149	5.1
67.05494	84.1
69.03419	7.7
69.06697	4.3
69.07053	58.3
69.36879	4.1
69.37228	40.5
71.04965	9.4
79.05486	54.1
81.07043	100.0
83.04974	11.1
83.08614	33.8
85.06541	7.0
91.05460	56.6
93.06431	4.1
93.07027	76.6
94.24232	2.9
95.04932	14.8
95.08590	80.4
97.06518	39.4
97.10130	21.6
99.08070	4.1
103.05418	3.5
105.07011	73.7
107.04950	5.6
107.08570	59.8
107.43336	3.7
108.20257	3.2
109.06474	8.5
109.10130	39.7
111.08012	9.1
113.09606	8.0
117.07003	26.9
118.07822	3.8
119.07740	6.3
119.08559	74.3
121.06416	3.7
121.10122	39.6
123.08029	11.0
123.11668	11.2
125.09607	19.1
128.06195	5.8
129.06978	20.2
131.08539	53.0
133.10114	42.4
135.08014	6.1
135.11707	22.7
137.09566	10.5
139.11122	11.3
141.06946	8.5
142.07738	8.8
143.08557	33.6
144.09286	5.9
145.10097	54.9
147.07986	3.9
147.11652	29.4
149.09567	11.6
149.13225	9.3
151.11227	4.8
155.08516	15.3
155.10567	3.7
156.09280	7.2
157.10120	37.7
159.11662	39.4
161.09590	7.1
161.13213	16.5
163.11124	6.4
163.14909	3.3
167.08542	7.9
167.10667	16.9
168.09315	4.8
169.10097	29.3
171.11691	33.1
173.09590	3.6
173.13243	28.9
175.11145	6.3
175.14763	8.0
181.10106	13.9
181.12135	5.9
183.11646	21.0
185.09644	4.1
185.13176	20.1
187.11253	3.8
187.14703	17.1
189.07950	3.3
189.12692	5.9
189.16432	4.3
194.10887	3.9
195.11649	14.4
196.12489	3.7
197.13222	15.8
199.14772	13.8
201.16333	8.5
203.12735	6.6
206.15038	3.7
207.11656	4.8
209.13226	9.5
211.14777	9.5
213.16331	7.2
221.13217	5.9
221.15305	7.3
223.14819	10.8
225.16385	7.4
227.17920	6.4
233.15385	11.4
237.16319	6.7
239.14377	4.6
239.18034	4.7
241.19424	4.2
251.17877	4.3
268.40964	4.0
269.18976	4.3
277.21594	4.1
289.21719	5.3
291.23068	5.9
299.20050	5.3
299.23553	4.2
303.22998	5.2
317.24805	8.1
329.24844	7.9
331.26114	4.5
335.23611	4.9
343.26202	4.8
383.29282	4.2
399.32352	13.2
405.31418	7.1
423.32574	18.7
447.32901	4.7
455.34912	14.9
479.34821	4.4
487.31168	6.0
487.37820	88.2
501.39078	4.8
517.40289	8.2
535.41193	9.2
541.41589	4.5
549.42853	8.9
567.44208	28.2
581.45685	48.6
599.48010	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01855	6.3
55.05502	20.4
57.07060	5.7
59.04992	5.3
65.03945	3.2
67.05489	27.0
69.03419	13.0
69.07050	19.6
71.04971	3.5
71.69885	4.5
77.03911	3.1
79.05481	25.8
81.07040	33.8
83.04971	9.3
83.08596	21.5
85.06526	5.5
91.00952	2.1
91.05468	38.2
93.07027	57.3
93.73592	2.4
95.04964	28.2
95.08591	33.0
97.06516	19.0
103.05441	3.1
105.07010	67.4
107.04936	3.6
107.08582	48.5
109.06527	11.8
109.10142	18.7
111.08088	5.1
113.09610	7.3
113.92023	2.9
115.05398	2.6
116.06236	3.8
117.06986	12.8
119.08567	63.2
121.06453	12.2
121.10114	76.9
123.08039	22.5
123.11705	10.9
125.09608	12.8
128.06215	7.0
129.06970	13.6
131.08521	26.9
133.06465	5.0
133.10110	38.9
135.08012	16.4
135.11670	14.3
137.09602	7.1
139.00352	2.4
139.11163	10.0
141.06999	7.2
142.07744	16.5
143.08554	27.2
144.09349	4.2
145.06404	3.2
145.10075	37.0
147.08028	12.0
147.11649	14.4
149.09601	20.1
149.13231	4.5
151.07526	20.5
151.11220	3.5
153.08945	3.1
153.12668	2.9
155.08537	11.4
155.10619	4.9
156.09251	11.8
157.10103	40.3
158.10883	4.1
159.08051	9.6
159.11691	24.2
161.09610	12.3
161.13248	6.1
163.11192	8.7
165.07074	4.3
165.09102	11.2
166.07878	2.5
167.08521	6.7
167.09119	4.7
167.10654	98.9
168.09279	4.2
169.10062	18.5
170.10901	5.6
171.08083	3.7
171.11656	24.3
172.12485	4.1
173.09569	6.9
173.13252	22.1
175.11174	5.6
175.14720	12.5
179.08600	8.7
179.14320	3.5
180.09300	3.5
181.10130	9.1
181.12239	9.9
182.10944	4.9
183.11671	19.8
184.12471	4.2
185.09604	5.9
185.13252	12.8
187.11205	6.7
187.14819	10.6
189.12708	9.8
191.14334	5.4
192.09277	2.8
193.10152	8.7
194.10938	7.6
195.08055	3.7
195.11725	16.4
195.13762	2.7
196.12448	5.8
197.13211	15.9
199.11224	5.3
199.14841	9.4
201.12831	3.9
201.16412	3.6
203.14299	9.0
205.10193	4.2
205.15956	4.0
206.10938	3.7
207.11681	10.2
207.13765	9.3
208.12404	4.2
209.13245	15.5
209.15152	4.0
211.11275	3.6
211.14804	9.4
213.12762	3.7
215.14317	7.9
217.15860	5.0
219.11743	4.4
221.13255	10.9
221.15379	28.1
223.14828	6.8
225.16405	5.8
227.14336	4.5
231.11722	4.1
233.13225	6.1
233.15295	40.2
235.14862	7.3
237.12747	3.8
237.16393	4.3
239.14470	2.6
239.33258	3.1
247.14868	6.6
247.17049	5.2
249.16383	3.6
251.18068	3.6
253.15916	2.9
255.17244	3.1
259.14740	3.4
260.15509	3.2
261.16321	5.9
263.17856	6.1
273.18686	3.6
275.17853	3.3
281.18893	3.7
285.18689	4.6
285.21793	3.4
295.20297	3.2
299.20111	9.0
311.20074	5.6
365.24899	3.7
373.25363	4.4
377.24698	6.1
393.24509	4.8
408.46954	2.8
563.38629	5.9
571.41315	3.1
581.39618	23.5
599.40875	100.0
600.41241	4.3
610.80951	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
55.05495	0.7
62.08860	0.5
63.38039	0.4
69.03407	0.6
70.03770	0.6
70.06572	2.2
71.23457	0.7
71.23798	0.9
72.08120	0.9
78.04687	1.3
79.05463	1.6
81.03413	0.5
81.07035	1.1
84.08139	0.6
84.35097	0.5
86.09704	0.9
89.03893	4.5
91.05479	1.3
93.07052	0.7
95.04951	1.0
96.05691	0.5
100.11212	1.0
103.05463	1.1
105.07000	1.3
106.04169	1.2
107.04913	1.7
107.08569	1.1
109.06475	0.8
111.04409	0.8
117.03345	4.8
117.07020	0.6
119.04847	0.8
120.08086	0.7
121.02824	0.7
121.06495	0.9
122.03610	0.7
123.04445	4.7
124.05202	2.2
131.04980	0.9
133.06505	0.6
134.03618	1.0
135.04388	2.3
137.05954	8.0
143.04956	0.8
145.02835	13.7
145.06395	1.1
147.04279	0.6
149.05952	4.3
151.03876	1.8
152.04637	1.6
156.05643	1.0
157.06371	0.5
160.05128	0.5
161.05959	1.3
163.03844	2.7
164.92900	0.6
167.07016	100.0
168.07355	2.1
173.06032	0.5
175.07452	0.6
177.05447	32.5
178.05945	0.7
181.04901	0.6
181.08546	1.0
187.07492	0.8
193.08620	3.8
210.14735	0.7
211.03941	0.6
211.09648	4.0
217.08565	4.3
238.18674	0.5
247.09715	0.8
251.07146	0.6
257.04425	2.4
261.03717	0.8
273.03986	3.0
285.03925	4.1
285.06848	0.6
299.05435	0.8
303.05063	2.8
309.11185	1.0
326.11435	0.9
327.05078	0.9
341.13861	3.1
351.05280	0.7
353.13864	2.0
369.05988	1.2
371.14941	2.6
433.09128	0.7
461.08408	1.4
519.08923	0.7
549.14630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77977	0.7
50.98110	0.7
53.03931	2.2
53.70131	0.6
55.01861	1.7
55.05499	2.1
55.23095	0.7
57.07068	0.8
65.03924	1.9
67.05503	4.0
69.03404	2.5
69.07054	3.7
70.06588	1.7
71.70515	0.9
72.08140	0.8
79.05477	12.8
81.03410	2.1
81.07048	25.0
83.04961	1.9
84.08106	0.9
85.02885	2.6
86.09668	0.9
89.03929	0.7
91.05469	12.3
93.07027	24.5
95.04955	3.4
95.08591	4.0
97.02879	1.9
97.06503	6.0
99.04433	1.4
103.03870	0.9
103.05462	1.0
105.07021	6.4
107.04929	0.9
107.08577	23.8
109.02876	1.3
109.06517	1.6
112.98335	0.7
117.03343	1.3
117.06982	2.3
117.96344	0.7
119.08554	4.5
120.08080	0.9
121.06502	2.4
121.10127	8.2
123.08018	1.7
127.03934	0.7
129.06990	1.7
131.08546	3.3
133.10091	5.9
135.08035	0.9
135.11665	11.3
137.05954	1.4
139.07492	1.2
144.09338	1.5
145.02789	2.1
145.10132	1.1
147.11621	0.9
149.06003	0.8
149.09584	1.5
149.13232	13.9
153.01801	1.4
155.04880	1.1
157.10063	1.3
159.11671	7.4
167.07025	5.0
173.06015	0.8
175.11185	1.6
177.05515	4.2
177.12724	24.9
183.04317	1.5
195.13802	3.2
201.05608	1.0
201.12564	0.7
211.03886	9.6
215.03424	0.8
219.02948	2.0
225.05350	2.6
229.04921	5.3
239.03403	1.0
245.04469	1.6
253.04939	1.4
257.04410	39.4
260.03241	1.6
261.03989	6.0
261.14850	0.7
263.01917	1.0
267.02869	5.1
271.05933	3.7
273.03894	55.1
274.04605	2.9
281.04291	1.4
285.03897	100.0
286.04269	1.5
287.02063	1.1
287.05481	3.2
295.05927	1.5
297.03799	4.8
299.02054	1.3
299.05377	11.8
301.03427	1.2
303.04944	40.0
311.05435	1.2
313.07065	2.1
315.04984	0.9
317.62119	0.7
323.05432	2.7
325.03253	0.8
327.04944	20.7
330.14255	0.7
339.05087	5.0
339.17874	1.8
351.04886	5.1
354.93210	0.8
357.06070	4.7
369.05981	13.6
387.07095	8.5
405.08090	11.1
423.09134	1.4
461.15823	1.4
479.17072	6.6
581.19611	1.1
599.20703	1.3
599.27100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34667	5.9
50.56835	4.0
53.03928	5.0
54.23608	4.3
55.01850	6.9
57.03427	4.5
59.34992	3.8
61.02906	5.5
67.05486	7.8
69.03408	14.7
70.06572	22.0
71.69600	5.8
72.08147	6.7
74.06026	3.7
75.04469	4.2
79.05482	5.2
81.03409	8.9
83.67358	4.2
84.04471	7.0
84.08118	11.8
85.02884	42.5
86.09680	11.2
86.31082	3.9
88.03953	4.8
91.05447	4.4
95.04944	13.2
97.02843	9.0
103.03922	10.7
109.02843	9.6
110.07127	9.1
112.46229	3.7
121.02835	10.0
127.03901	5.0
127.07512	9.4
129.10211	6.1
132.99229	4.4
137.05968	7.5
147.04384	5.4
151.03893	4.8
154.55415	4.2
155.06966	8.4
156.07526	4.8
156.13838	4.7
157.73114	5.1
163.03894	8.9
165.01875	7.3
167.06987	10.1
175.07550	6.2
177.05449	5.7
181.04886	5.9
183.02852	9.7
189.05475	4.7
195.02858	7.6
205.04947	5.2
225.05391	6.1
228.04190	5.9
231.02864	4.8
241.04880	10.9
243.06360	7.2
249.09247	4.4
251.07159	5.3
253.04984	10.3
253.08556	9.5
254.05757	5.5
255.02977	4.8
255.06487	9.5
256.03638	6.2
265.08615	6.7
267.06485	11.8
267.10049	7.1
269.08032	13.6
270.05344	4.9
270.08569	5.1
271.05939	24.4
271.08759	3.9
272.03159	10.3
273.03821	6.1
277.08456	16.8
278.05951	4.5
279.06342	10.4
280.07224	8.8
281.04977	6.1
281.07910	23.2
283.06186	7.2
283.09558	9.8
284.03040	5.7
285.07397	9.6
287.05435	77.1
288.06042	5.5
291.06424	6.8
292.07025	4.3
293.07974	16.3
295.06091	10.9
295.09653	19.2
297.04269	9.2
297.07535	21.6
298.04770	11.1
299.05380	30.5
299.08713	8.4
303.04999	6.9
305.08185	9.6
307.06067	11.1
307.09589	14.3
309.04037	8.0
309.07578	16.4
309.10892	5.2
310.04837	5.8
311.05453	18.1
311.09131	17.9
312.06161	8.4
313.06934	20.3
313.10391	6.9
315.04965	5.0
317.06439	100.0
319.09692	8.1
321.07578	26.5
321.10947	6.2
323.05359	9.9
323.09039	29.2
325.07010	18.7
325.10394	9.2
327.04953	8.6
327.08481	42.8
329.06464	7.0
333.07544	8.5
335.09030	10.2
337.07074	10.5
337.10663	7.8
339.04944	8.1
339.08640	19.3
341.06491	41.6
341.10330	13.9
347.09167	9.9
349.06931	7.3
351.04800	6.7
351.08569	23.8
351.12390	8.3
353.06381	13.6
353.10135	40.3
355.08078	26.7
357.09567	18.9
363.08661	9.6
365.06244	11.0
365.10193	12.7
367.07819	27.9
367.11490	8.1
369.09567	9.5
371.07642	15.0
375.08801	8.7
379.08038	10.2
381.09561	17.4
383.07318	11.6
383.11551	32.1
385.08957	34.5
389.10104	6.4
393.09467	16.5
395.06772	6.0
395.11411	5.4
397.08984	30.7
399.10553	36.2
401.08200	20.7
407.11200	12.2
409.08896	11.5
411.10611	19.1
413.12302	17.1
419.09689	32.1
421.09033	22.5
423.10547	6.0
425.12485	6.4
429.06381	5.9
429.11752	52.9
431.12851	5.6
435.10681	8.7
437.11884	6.6
443.13211	34.6
449.12219	4.8
451.10306	13.3
453.11752	43.5
457.11484	6.2
463.09973	7.2
465.11871	9.4
467.13345	22.4
469.11044	7.8
475.12277	9.6
477.12195	7.8
481.11206	7.4
483.12683	18.7
485.14194	14.5
486.19119	5.1
487.12131	9.7
495.12601	13.9
497.14282	16.7
499.12250	14.5
503.15353	66.0
505.13416	37.1
509.14178	8.9
513.13654	27.2
517.13123	59.8
527.15234	16.1
531.14600	32.9
545.16425	33.1
549.16351	6.8
563.17047	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	599.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67705	3.5
55.01869	4.7
55.59870	3.8
57.03419	5.7
61.77798	3.3
67.05500	6.4
69.03407	13.8
69.67654	6.2
69.68061	25.3
70.06575	22.6
71.04962	4.9
72.08145	7.5
73.02924	3.9
81.03416	9.9
84.08125	8.4
85.02892	35.1
86.09700	14.4
91.05472	4.7
93.04545	3.5
95.04942	10.1
95.54655	3.9
97.02878	11.3
97.36650	3.7
103.03944	10.9
107.04951	4.6
109.02875	7.0
110.07146	9.0
121.02825	9.6
126.97141	3.7
127.03909	5.7
127.07545	8.3
129.10214	6.1
131.04866	7.4
137.05920	6.8
149.06010	3.6
155.07121	3.8
156.13818	6.6
157.38902	4.1
163.03844	4.1
163.07545	3.8
165.01903	8.0
167.07054	13.0
179.03409	6.7
189.05194	3.6
192.11150	3.6
195.02901	4.8
201.05469	8.2
203.03502	5.8
205.05069	6.1
215.07069	5.2
217.05122	4.4
225.05521	6.8
229.05006	8.0
239.07050	6.5
241.04965	7.3
243.06581	10.7
253.08501	8.1
255.06560	7.5
256.03595	6.8
257.04446	4.8
257.08118	4.4
263.07019	5.1
265.08679	5.2
267.06583	13.8
267.10327	4.7
269.04453	6.2
269.08099	15.4
270.05463	6.5
270.08798	4.9
271.05988	29.8
272.03186	14.9
273.03973	7.3
275.44846	4.0
277.08499	8.6
279.06534	11.9
279.10016	6.9
281.04877	8.2
281.08148	23.6
283.05966	10.8
283.09613	7.3
284.02985	4.9
285.03992	7.0
285.07538	12.7
287.05490	72.4
288.06171	6.0
289.08304	4.5
290.05753	5.2
291.06964	4.1
291.10165	6.4
293.04950	5.5
293.07953	21.6
294.05249	7.2
294.08789	8.0
295.06293	8.8
295.09726	18.9
297.03833	10.8
297.07571	24.6
298.04626	8.8
299.05481	24.1
299.09247	10.7
299.77698	4.6
305.08160	10.9
307.06042	12.3
307.09735	10.0
308.06781	4.7
309.07602	11.3
309.11093	8.3
311.05740	6.7
311.09140	16.0
312.06442	5.8
313.07101	32.7
313.10614	5.8
317.06509	100.0
319.06094	6.9
319.09637	11.8
321.07690	18.1
323.05487	8.5
323.09149	27.2
325.07022	18.2
325.10440	8.9
327.05042	6.9
327.08517	45.4
329.06516	6.5
333.07352	5.1
335.09158	9.3
337.06976	13.0
337.10760	10.3
339.05136	8.7
339.08621	15.8
339.12128	5.3
341.06607	45.0
341.10229	8.0
343.08286	4.6
347.09161	9.3
349.06888	7.6
351.08643	19.4
353.06427	23.8
353.10251	37.0
355.04190	4.9
355.08044	19.0
355.11807	7.6
357.09705	14.2
361.10944	5.3
365.06409	8.9
365.10233	13.0
367.08017	26.5
367.12003	8.6
369.05597	6.3
369.09848	10.7
371.07541	16.3
375.08789	6.9
377.10126	5.3
379.07788	9.1
379.12009	4.8
381.09650	16.7
383.07278	15.2
383.11716	17.8
385.09070	28.5
393.09680	10.7
395.11157	9.1
397.09085	29.4
399.10706	29.3
401.08588	12.3
407.11240	15.6
409.09158	8.5
411.10754	14.2
413.12296	19.0
417.09726	6.7
419.10001	30.8
421.09183	12.9
423.10669	4.6
429.11798	47.0
431.12848	10.7
435.10834	6.6
443.13324	36.7
449.12033	6.9
451.10315	10.2
453.11761	31.9
461.14560	4.7
463.10117	6.9
467.13464	17.6
469.11115	5.9
477.11813	6.5
481.11377	7.4
483.12610	22.0
485.14432	12.3
487.12164	10.4
495.12991	18.7
497.14224	13.5
499.12360	12.1
503.15320	55.2
505.13669	30.0
509.14301	7.8
513.13635	21.3
517.13336	47.8
527.15192	13.4
531.14911	29.3
545.16669	29.8
549.15643	7.6
555.30725	5.6
563.17505	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
54.06002	0.2
54.46730	0.2
55.05497	2.1
63.02394	0.8
70.06580	0.7
70.81163	0.3
70.81500	0.5
78.04708	0.4
82.06575	0.5
83.04976	0.4
83.08166	0.2
83.08598	1.3
84.08150	0.5
89.03902	10.4
91.05466	0.6
100.07590	1.7
100.11237	4.9
103.05444	0.5
106.04169	0.6
111.04427	2.1
112.07629	0.5
115.05456	0.4
117.03361	28.3
119.04922	0.6
124.05188	0.4
126.09180	0.4
127.18353	0.2
128.07057	1.6
131.04912	0.3
134.03641	1.7
135.04379	2.0
137.05946	0.4
140.07050	0.7
145.02824	63.3
146.03210	0.3
147.04327	0.4
149.05954	8.7
151.03876	1.5
151.04935	0.3
153.01845	0.4
153.25900	0.3
155.04916	0.5
158.05968	0.4
159.04387	0.8
161.05962	0.5
163.03903	0.8
167.07033	0.9
175.07541	0.5
177.05441	100.0
178.05768	0.8
182.15382	6.5
183.04364	0.6
186.05467	1.2
187.03812	0.3
189.05469	0.7
201.05421	1.0
209.16458	1.1
210.14839	7.2
211.03867	1.3
219.02882	0.4
219.06549	1.5
220.71814	0.3
225.05402	0.3
227.17451	0.4
228.15900	1.1
229.04900	1.1
243.02917	0.3
243.06386	0.4
245.18501	0.5
257.04422	8.8
260.03168	0.3
261.03900	3.0
263.01746	0.5
267.02847	0.6
271.05710	0.6
273.03888	9.1
274.04596	0.7
279.08630	0.3
281.04395	0.4
285.03906	13.4
285.07251	0.5
287.01837	0.4
295.06091	0.5
297.03909	0.6
298.04492	0.4
299.05453	1.7
303.04959	10.4
311.05344	1.0
313.06863	0.6
321.09634	0.5
323.05444	0.6
325.03491	0.4
327.04907	2.9
336.22528	0.6
337.21167	1.6
339.04871	1.1
339.10861	1.2
341.06461	0.3
347.04990	0.3
351.05020	1.0
353.06366	0.3
354.23502	0.3
355.22119	2.0
357.06000	0.7
361.07004	0.4
369.01816	0.3
369.06073	4.0
373.07199	0.4
387.06888	0.7
400.06085	0.5
401.06314	0.6
405.08035	1.5
415.07864	0.3
417.05835	0.6
418.06671	0.6
423.08987	0.7
433.04120	0.3
433.09207	2.1
436.31369	0.6
443.07642	0.4
453.34177	0.5
454.32526	0.8
461.02609	0.4
461.08670	6.2
479.09335	1.0
563.37506	0.9
581.38934	3.3
599.39972	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	597.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03924	1.6
55.01862	2.3
55.05463	0.4
57.03407	0.5
65.03931	2.8
67.05480	0.7
70.06559	1.3
70.52467	1.0
71.04970	0.5
72.08118	0.8
75.04463	3.8
77.03912	0.4
78.04700	2.5
79.05468	2.1
79.40704	0.5
81.07038	0.7
82.39168	0.4
84.04426	0.4
84.08121	1.0
85.02900	3.4
86.09664	0.7
87.04457	3.4
89.03883	1.5
89.06037	0.9
91.05463	11.9
93.03392	12.7
93.07030	6.0
95.04958	5.4
97.02873	0.5
97.06508	3.0
103.05453	5.5
105.04477	0.7
105.07003	1.0
106.04156	29.2
107.04939	2.6
109.02860	0.5
109.06448	1.1
111.04379	0.6
117.03373	1.0
118.04104	0.6
119.04891	1.6
120.05674	0.5
120.08081	0.4
121.06487	27.5
122.07259	0.5
123.02560	0.5
123.04395	1.6
123.08033	1.0
124.05146	0.5
125.05971	7.9
129.10205	0.5
131.04887	1.9
133.06470	0.8
134.03613	5.2
135.04376	1.4
135.07985	0.6
136.07567	0.5
136.31749	0.4
137.05951	4.6
138.06689	1.4
139.07527	2.6
145.02795	1.6
148.05186	2.6
149.05956	45.5
151.02058	0.5
151.07515	1.8
153.05420	1.5
153.09084	12.7
163.03926	0.8
163.07495	2.2
165.05508	0.6
166.06192	1.1
167.07027	2.9
177.05441	23.5
179.01585	0.5
180.90585	0.5
181.08562	19.9
184.47894	0.4
190.00899	0.5
191.06998	2.4
193.08482	0.5
207.08894	1.0
209.08057	100.0
210.08574	1.7
211.04221	0.5
213.04482	0.5
223.04202	4.9
257.04422	2.0
258.04761	1.7
259.04990	1.0
265.09842	0.4
273.03894	0.9
274.04300	0.6
275.04391	0.5
285.03967	3.0
286.04361	2.5
287.04431	2.6
295.10855	0.6
303.04810	2.7
304.05258	1.1
305.05521	1.7
321.08459	0.6
339.09451	0.8
369.10739	0.5
389.13574	0.4
401.15826	0.5
477.09232	0.7
547.14966	1.3
579.18091	0.5
597.20245	0.5
597.30182	0.6
622.25452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05487	0.9
55.55612	0.7
57.03409	2.4
58.98141	0.9
61.53643	0.8
67.05483	1.8
69.03419	1.3
69.07039	1.3
69.58270	0.8
70.06567	3.3
71.04953	1.0
71.09790	2.7
77.03994	1.2
79.05465	1.7
81.03394	2.1
81.07046	1.5
84.04496	0.8
84.08137	1.6
85.02898	4.7
86.09660	1.2
91.05444	2.6
93.07021	1.3
95.04961	1.4
97.02870	1.8
99.04452	1.0
103.03913	0.7
105.06998	1.5
107.08588	1.0
109.02891	2.1
109.10095	1.2
121.02847	2.7
121.10130	0.8
131.04912	1.4
137.05939	2.9
141.07033	1.0
145.10068	1.0
151.03792	1.4
164.84097	0.8
165.01796	6.2
167.07001	10.0
168.52460	0.9
179.03358	2.2
181.08458	1.0
181.63972	0.9
183.02878	1.5
187.03865	2.1
197.05978	4.0
209.08035	1.6
211.07466	3.7
212.04515	0.9
213.05501	2.0
221.05913	1.2
223.03870	1.2
225.05440	19.6
227.06902	1.9
228.04143	2.0
229.04916	1.5
231.02788	1.9
234.06766	1.0
235.07510	1.5
237.05443	1.4
238.06029	1.5
239.07005	7.8
241.04913	35.1
242.05695	8.3
243.06461	3.9
245.04279	2.5
249.05522	1.1
251.03227	1.1
251.07069	1.4
252.04063	6.0
253.04933	16.8
253.08499	2.2
255.02827	3.7
255.06462	15.4
262.06238	2.0
263.07056	2.8
265.04910	7.6
266.05655	5.6
267.03098	6.1
267.06424	9.7
269.04398	3.4
269.08350	1.1
271.05945	4.2
272.03143	1.3
277.05154	0.9
277.08536	1.3
279.02826	3.1
279.06454	3.5
281.04395	3.6
281.08069	4.0
283.02832	1.8
283.05945	17.2
285.03964	2.4
285.07474	6.4
287.05490	3.9
289.04837	1.0
291.06427	3.5
293.04379	2.8
293.07831	1.3
294.05261	1.9
295.05878	3.2
295.09195	1.5
297.03857	7.9
297.07535	5.9
299.05453	100.0
300.06033	4.3
301.03360	1.1
307.06116	7.0
307.09467	1.7
309.07507	4.7
311.05472	14.9
311.08850	1.5
313.03452	1.4
313.06992	2.3
315.04977	1.2
318.05457	1.0
319.05939	8.3
321.03888	4.4
321.07507	5.4
323.05783	4.1
323.09195	1.6
325.03284	3.3
325.06955	22.4
329.06516	58.8
337.06955	5.3
339.04910	1.3
339.08521	8.6
339.12360	2.0
349.07144	5.0
351.04544	2.0
351.08585	1.4
353.06500	24.1
363.04892	2.0
365.06494	12.4
367.08008	1.5
369.13446	1.1
377.06467	12.7
381.06125	1.1
383.07626	7.1
395.07513	13.5
397.09088	1.4
413.08490	9.5
427.10117	1.5
429.11774	19.5
431.09784	8.5
447.12610	1.0
449.10590	2.8
459.12805	29.3
460.13113	1.8
477.13885	5.7
483.12723	18.0
501.13873	1.5
507.13327	1.3
513.06677	1.7
513.13788	20.8
525.13696	11.0
531.14545	1.3
543.14874	20.2
561.15942	26.5
568.22748	0.9
579.16833	7.4
597.18024	2.5
597.27667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1804
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.56282	0.6
55.01844	2.0
57.03420	1.4
59.93986	0.7
61.02888	1.1
67.05466	1.3
67.60868	0.7
69.03403	1.9
69.87790	1.9
69.88206	3.8
70.06554	1.9
71.04973	1.0
79.05462	0.9
81.03394	1.1
81.07016	0.7
84.41611	0.8
85.02893	4.5
86.09637	1.0
91.05454	2.5
93.07027	1.1
95.04946	1.0
97.02876	1.5
97.06442	1.0
98.21429	1.7
99.04382	0.8
105.07008	1.4
107.04937	1.0
107.08527	0.8
109.02843	1.7
119.08512	1.2
121.02853	1.3
121.10101	0.8
123.04427	1.3
127.03885	1.1
131.04953	0.9
131.07018	0.8
137.05930	2.6
141.07086	0.9
145.10086	1.4
152.04573	0.9
159.11649	0.8
165.01802	5.7
167.07021	7.0
179.03345	1.2
181.04950	1.6
181.06473	0.8
181.08485	1.6
183.02823	0.7
187.03835	0.9
193.08546	1.2
197.05934	3.4
209.06046	0.9
209.07997	1.2
211.07483	3.4
213.05443	2.2
223.03813	1.8
225.05441	18.6
227.07053	2.2
228.04126	1.9
231.02811	1.8
233.05902	1.2
234.06778	0.8
237.05397	3.0
238.06181	1.2
239.03380	1.3
239.06956	7.2
240.07233	0.8
241.04919	31.2
242.05664	7.3
243.06445	2.9
245.04424	2.4
249.05406	1.0
251.03423	1.2
251.07018	1.5
252.04195	5.0
253.04884	15.3
253.08557	1.7
255.02872	3.5
255.06454	14.4
262.06268	2.3
263.07010	2.7
265.04950	7.3
265.07877	1.0
266.05670	5.4
267.02884	6.5
267.06393	7.6
269.04413	3.4
269.07986	0.9
270.05103	1.3
271.05951	4.8
279.02823	4.9
279.06421	2.5
280.07034	1.2
281.04297	2.5
281.08044	4.2
283.05939	17.5
285.03827	2.7
285.07501	9.4
286.07712	1.0
287.05472	5.9
291.06467	2.7
292.06955	0.9
293.04306	3.6
293.07953	1.8
294.05118	1.2
295.05890	3.1
295.09161	1.9
297.03851	6.7
297.07495	7.6
299.05435	100.0
300.05911	5.4
301.03391	1.0
307.05969	9.2
309.07468	4.0
311.05466	12.6
311.08804	1.4
313.06870	1.3
318.05496	0.9
319.05978	5.3
321.03851	5.8
321.07510	4.4
323.05411	3.5
323.08881	1.4
324.06116	1.6
325.03360	2.6
325.06946	23.1
327.04892	1.1
329.06485	55.0
330.06793	1.9
337.07037	4.9
339.08554	8.6
339.12253	1.1
341.06558	0.9
345.04077	1.1
349.06952	3.4
351.04785	1.5
351.08536	1.8
353.06503	26.5
354.06693	1.5
365.06479	12.6
367.08197	1.3
369.09689	0.9
377.06439	10.5
381.05829	1.3
383.07547	7.2
387.14270	0.9
395.07504	12.0
397.09164	1.5
399.06995	1.5
413.08557	8.6
417.12015	0.8
427.10355	0.8
429.11679	19.5
430.12088	1.0
431.09647	7.3
447.12778	1.9
449.10648	2.4
459.12775	26.8
460.12997	1.0
477.13937	3.1
483.12827	20.4
495.12927	1.4
501.13571	1.5
513.13824	22.7
514.13971	1.1
525.13947	10.5
531.14661	0.9
543.14905	20.5
544.14911	1.3
561.16003	24.8
579.17102	6.2
597.17859	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	596.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01863	7.7
55.05506	47.1
57.03432	18.3
57.07054	2.6
59.04988	6.2
61.02907	7.5
67.05496	100.0
68.05839	1.9
69.03409	3.4
69.07059	13.6
70.37249	4.1
70.37669	2.9
71.04986	4.8
73.02910	3.2
75.04474	1.9
79.05482	25.7
80.85238	1.4
81.03415	15.7
81.07045	33.6
83.01302	3.0
83.04976	12.1
83.08613	20.7
85.02901	23.1
85.06541	3.2
87.04456	9.2
91.03942	2.5
91.05463	14.6
93.07040	15.9
95.04967	6.7
95.08604	13.0
97.02871	7.3
97.06499	6.7
97.10159	33.7
98.20728	1.4
99.04429	1.8
99.08111	2.0
103.03938	12.2
105.07034	7.1
107.04934	5.4
107.08585	21.3
109.06522	2.4
109.10144	71.4
111.04453	2.9
111.08084	4.2
117.07002	4.3
119.08562	9.4
121.06500	2.3
121.10124	6.2
121.76500	1.3
125.09619	43.3
129.07010	2.3
131.08571	3.3
132.68625	1.3
133.10110	3.1
134.15569	1.5
135.08061	1.9
135.11688	9.5
137.09608	4.3
143.10670	8.4
145.10121	5.5
147.08003	1.8
147.11732	2.0
153.12746	11.5
155.10654	4.6
159.49948	1.4
163.11160	15.2
173.04405	1.9
173.09598	2.2
173.10013	2.1
173.11707	36.0
173.14043	1.6
181.12238	6.4
181.43030	1.3
184.48041	1.6
189.11206	4.1
191.10695	5.8
193.12245	3.4
199.13275	12.5
202.36511	1.8
209.11742	10.8
211.13388	2.2
211.72275	1.4
217.14316	4.9
227.12752	12.7
229.14334	59.6
245.13893	3.0
257.13837	21.4
264.70129	1.4
283.15305	14.8
301.16425	35.6
309.20212	1.8
319.17450	9.9
399.23709	3.3
491.84808	1.6
546.68689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91210	0.4
53.03918	0.3
55.01862	0.6
55.05503	0.8
57.03414	0.9
59.14784	0.3
61.02907	0.3
61.99266	0.4
62.04919	0.3
65.03918	0.7
67.05498	1.8
69.03410	0.9
69.07049	1.0
70.06576	0.7
71.01342	0.5
71.70022	0.4
79.05477	1.7
81.03389	0.8
81.07036	1.6
83.04996	0.6
83.08606	0.8
84.04507	0.4
84.08100	0.5
85.02866	1.1
91.05460	2.0
93.07027	1.9
95.04948	1.4
95.08626	1.0
97.02874	100.0
97.06517	1.2
99.08106	0.5
105.07021	0.9
107.04935	0.5
107.08556	1.1
109.06515	0.6
109.10143	0.9
111.04428	0.6
119.08533	0.5
121.02844	13.0
121.10137	0.7
124.07558	0.4
124.13158	0.4
131.08548	0.5
135.08022	0.8
137.05945	1.4
145.10216	0.4
149.09576	0.5
151.03870	1.9
156.13783	1.9
158.78966	0.4
167.07004	0.5
167.10570	0.4
181.04932	2.5
182.05331	0.6
193.12236	2.4
193.13712	0.4
217.04918	8.5
229.14317	1.2
235.05981	4.2
253.06952	3.2
289.18036	1.4
291.10059	0.4
308.09729	0.6
340.12656	0.5
363.21600	1.0
370.13370	0.5
381.22913	0.9
399.23788	2.4
407.82846	0.4
596.21472	0.5
596.38361	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
56.19334	1.8
57.03426	3.4
61.02922	2.4
65.03936	4.1
67.82643	1.9
68.99799	2.6
70.04787	6.8
70.05195	4.5
70.06609	2.2
71.02048	1.9
80.45145	1.9
81.03397	3.6
85.02895	9.1
91.05443	3.7
93.03365	2.9
95.04928	3.0
97.02882	3.1
103.03910	4.3
107.04932	4.6
109.02853	6.0
119.04916	10.3
121.02850	90.3
121.06502	3.0
130.05002	4.2
135.04395	4.7
139.03915	6.1
145.02826	3.0
147.04370	3.0
151.03918	2.3
152.28690	1.7
153.01810	2.2
155.01593	2.8
159.04448	2.5
161.06091	2.9
163.03932	11.8
165.01855	2.3
173.02344	3.7
175.03903	6.0
177.01816	5.8
177.05476	3.1
179.03421	3.7
181.05035	2.1
187.03867	4.2
189.01761	11.1
189.05521	1.9
191.01717	2.2
191.03387	5.6
193.47855	2.0
195.02859	9.1
201.01904	2.2
203.03365	10.0
205.04950	6.8
207.02936	11.7
213.05391	2.1
215.03336	4.5
217.04997	10.1
219.02898	7.8
221.04395	6.2
229.04950	8.5
229.06950	2.0
231.02885	6.6
233.04393	4.4
241.05060	2.4
243.02789	4.5
247.05963	2.9
249.04103	3.2
255.02870	4.1
257.04361	6.0
259.05920	3.3
261.04007	5.2
267.06311	2.5
268.07220	4.7
271.06027	5.3
273.03854	6.8
279.06323	5.0
280.07141	3.1
281.08017	5.4
283.05991	11.4
284.06696	3.3
285.03897	7.1
291.04898	3.3
293.07962	4.5
294.05267	20.4
295.05969	85.5
296.06747	8.9
297.07632	10.8
303.04980	3.0
305.08026	2.6
307.05972	52.8
308.06702	13.8
309.07361	14.6
313.06952	9.0
319.05887	6.2
320.06586	3.3
321.07541	26.8
322.08340	8.6
323.05682	2.6
323.09134	4.1
325.07022	100.0
327.04901	4.5
329.07916	5.7
333.07571	11.6
335.05499	2.7
335.09018	16.0
336.06110	2.7
337.07010	64.3
339.07837	2.9
345.07074	3.3
347.09299	12.2
349.06989	33.1
350.07559	3.5
351.08588	23.2
355.08075	20.8
361.06879	20.0
361.10303	2.4
363.08392	7.3
365.10312	13.2
367.07938	6.3
373.07025	6.4
375.08691	11.9
377.06381	2.7
379.08032	55.7
385.07080	3.9
389.10336	3.5
391.08057	31.7
393.08560	3.9
399.08276	2.4
401.10098	3.7
403.08017	26.5
405.07974	4.2
409.09158	47.9
415.09052	2.8
417.09637	5.1
421.09091	26.8
423.09085	3.8
427.10242	43.6
433.09146	5.2
439.10196	31.6
441.10117	7.0
445.10565	7.3
457.11276	82.5
458.11685	6.1
463.10223	8.3
475.12491	18.3
481.11169	29.1
493.11008	4.5
499.12335	15.2
505.11026	7.6
511.12384	19.1
523.12396	22.2
529.13379	7.5
541.13452	24.1
559.14594	23.8
577.15295	8.4
595.16400	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	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03932	0.3
55.01839	0.2
55.05486	0.3
57.03428	1.8
60.63230	0.2
61.02904	0.5
65.03915	0.2
68.99767	0.3
69.03423	1.2
70.25985	0.9
71.04981	12.1
73.02897	0.5
74.72000	0.2
75.04450	0.4
79.57955	0.2
81.03381	0.6
83.04945	0.8
85.02892	16.3
87.04455	0.5
91.03963	0.2
93.06983	0.2
96.75327	0.2
97.02879	1.3
99.04430	0.2
104.96503	0.2
107.04936	0.3
109.02847	0.4
111.00784	0.7
111.04389	0.5
120.36771	0.2
121.02859	2.2
127.03918	0.8
129.05455	3.7
133.02818	0.3
137.02332	0.6
145.04932	0.7
147.04398	0.6
147.06468	0.8
151.03870	0.2
153.01804	2.7
157.06487	0.3
164.29910	0.2
165.01765	1.5
183.02901	0.6
185.06015	0.3
197.06088	0.2
213.05435	1.3
231.06535	0.7
241.04939	0.8
258.05225	0.9
259.06100	0.3
269.04437	0.3
287.05453	100.0
288.05807	1.2
299.05432	0.3
329.06421	0.4
371.94260	0.2
449.10730	0.4
595.09924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
50.81716	1.5
55.01865	1.8
57.03416	4.3
69.72172	11.0
69.72570	2.6
79.16087	1.5
81.03405	3.1
85.02893	5.8
103.03883	1.9
104.19793	1.9
119.04939	7.2
121.02850	27.6
145.02820	2.9
163.03778	2.0
173.02338	2.3
173.06041	2.3
177.01941	2.1
179.03441	2.0
181.04880	1.9
187.03915	3.2
189.01787	5.8
191.03413	5.4
195.02908	6.5
200.31598	1.7
203.03270	10.0
205.04901	2.1
207.02858	7.8
215.03468	2.5
217.04958	6.0
219.02914	4.7
221.04521	1.8
229.04933	5.4
255.02721	2.6
267.06570	2.8
268.07300	3.6
273.03906	2.8
279.06531	4.8
280.07361	2.5
281.08005	5.7
283.05859	10.0
284.06815	1.9
291.06454	2.5
293.07990	4.2
294.05179	15.5
295.05960	79.6
296.06543	8.6
297.07611	4.9
305.08005	2.4
307.05951	50.3
308.06711	16.4
309.07489	15.6
313.07068	5.8
319.05896	4.3
320.06717	3.8
321.07541	29.2
322.04922	2.8
322.08304	12.4
323.05392	2.2
323.09052	4.7
325.06995	100.0
326.07391	3.4
329.07959	2.4
333.07364	10.0
335.09067	16.6
336.06201	2.6
337.06982	59.9
337.10953	3.9
338.07504	2.9
339.08575	2.4
345.07492	2.7
347.09055	12.7
349.07031	32.6
351.08597	26.5
355.07990	24.5
361.06973	16.4
363.08597	7.1
365.10217	14.0
367.08212	5.2
373.06921	6.0
375.08429	9.8
377.10382	2.2
379.08047	66.3
380.08578	2.1
385.07007	4.5
387.08655	2.4
389.10184	4.2
391.08051	36.6
401.10175	4.0
403.08032	27.3
409.09082	49.8
415.08194	2.0
417.09607	2.8
421.09152	26.9
427.10236	45.9
429.09439	2.0
433.09125	3.8
439.10129	34.0
445.10419	7.3
457.11224	98.7
458.11710	3.9
459.10318	2.0
463.10098	6.4
475.12204	19.2
481.11258	27.8
487.10425	2.9
493.10907	4.0
499.12305	23.3
505.11417	9.2
511.12119	22.6
523.12280	29.5
529.13312	7.9
541.13165	25.2
559.14435	21.5
577.15393	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
76.92476	0.4
172.19290	0.5
217.67776	0.5
230.79677	0.7
388.16580	0.5
389.17172	0.9
401.17673	0.5
402.18280	0.9
403.19281	3.1
404.19839	0.9
405.20624	1.5
408.53970	0.4
417.16241	0.9
417.21423	2.8
418.21408	1.9
419.22351	2.9
420.22623	0.5
430.17786	1.4
431.18124	8.1
432.18127	2.3
432.23950	0.8
433.24100	7.8
434.24628	2.0
441.54123	0.5
444.19156	0.6
445.19901	9.0
446.20605	6.2
447.21582	5.8
448.22281	0.7
459.21536	4.4
460.22446	18.6
461.23178	15.2
462.23691	1.0
473.23364	3.2
474.23993	1.3
476.25748	2.3
477.21930	0.6
477.27185	0.7
487.24921	1.7
491.24808	1.0
492.24911	1.8
493.25900	0.5
505.21994	7.8
518.22961	1.2
519.24030	0.8
520.24701	0.6
533.25421	58.3
534.25909	4.6
564.23785	0.6
565.28070	1.0
575.26392	0.9
577.25781	0.5
593.27496	100.0
594.27924	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	595.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66982	0.3
53.03936	0.7
55.01866	0.5
57.03436	0.7
67.05499	1.1
69.03406	1.8
70.06581	0.8
70.28394	0.7
70.28788	0.6
79.05487	2.2
81.03410	1.1
81.06603	0.6
81.07045	8.1
83.04971	0.6
84.04463	0.5
85.02896	3.9
85.06533	1.1
86.09692	0.8
87.04453	53.6
88.04777	0.4
91.05466	0.9
93.07044	1.1
97.02873	1.4
98.21449	0.4
99.04459	0.5
103.03905	0.5
107.04984	0.3
109.02869	0.7
109.06508	8.2
110.81113	0.4
111.04411	1.9
113.06004	0.4
119.04911	1.0
120.08097	0.7
121.02834	0.7
127.03916	1.7
127.07512	1.6
129.05489	0.5
137.05946	10.0
145.04950	0.8
153.05406	1.0
155.04887	1.4
155.06973	2.2
165.01717	0.5
171.06450	0.4
173.04539	0.7
173.08073	5.8
181.04884	0.4
183.04381	1.7
201.05479	2.0
205.04944	0.4
211.03867	7.8
213.07564	1.0
217.04869	0.4
219.02892	1.3
225.05414	1.1
229.04922	5.9
231.08617	0.5
239.03294	1.2
245.04384	0.6
253.04930	0.5
256.03653	0.9
257.04410	51.5
258.04700	1.1
260.03143	1.4
261.03903	4.9
263.01947	0.5
267.02811	3.0
267.05890	0.7
271.05923	2.3
273.03891	21.3
274.04623	2.5
281.04465	0.8
281.08002	0.4
283.06006	3.7
284.06775	0.8
285.03894	100.0
286.04297	1.5
287.02014	0.5
287.05475	1.9
289.03281	0.7
295.05890	1.3
297.03888	2.3
299.02182	0.5
299.05432	5.0
301.03494	0.6
303.04947	59.7
304.05139	1.2
309.07486	1.1
311.05377	1.1
313.07001	6.9
323.05484	1.0
323.09128	0.6
325.06918	0.4
327.04901	8.9
335.09665	0.8
337.06900	2.0
339.04984	3.0
341.06677	0.4
343.08072	1.0
349.07053	0.8
351.05054	1.8
357.06003	2.6
367.08002	1.0
369.06055	4.5
371.07361	0.5
379.08121	0.7
387.07065	4.0
389.08539	0.7
397.08936	1.2
405.08124	5.3
415.09991	1.3
423.09061	0.9
431.09613	0.4
433.11316	0.6
475.07803	8.6
577.12341	0.4
595.15405	1.8
608.55945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.05570	0.4
195.73395	0.5
229.86014	0.5
265.36823	0.6
387.15997	0.6
389.17645	2.0
401.17776	0.7
402.18436	1.8
403.19165	4.1
404.19852	1.4
405.20496	2.2
415.14847	0.5
415.19766	0.5
416.15417	0.6
416.20251	1.2
417.16632	1.7
417.21555	4.7
418.21457	1.9
419.22244	5.9
430.17484	1.2
431.18027	9.1
431.23428	0.9
432.18561	3.5
433.24091	6.6
434.24597	1.9
444.19122	0.7
445.19846	13.8
446.20648	6.6
447.21652	5.6
449.23148	0.7
453.51254	0.4
459.21445	4.5
460.22369	12.1
461.23248	9.5
462.20422	0.7
463.20929	0.7
473.23712	2.3
474.23935	0.7
476.25912	0.9
477.22919	1.4
487.24860	0.8
491.24457	1.5
492.25107	0.8
505.21973	5.8
515.24255	0.5
519.23657	0.7
533.25403	21.0
534.26086	1.3
547.27014	0.5
561.24902	0.5
564.23218	0.9
565.27997	0.9
593.27460	100.0
594.27814	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	593.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03941	8.3
53.86712	1.1
55.01865	16.8
55.05276	1.5
55.05507	20.9
56.19126	1.3
57.03422	10.6
57.07052	1.6
61.02909	3.8
65.03922	2.9
67.05497	47.1
69.03420	25.3
69.07059	27.5
69.35361	14.8
70.06583	1.9
71.04965	7.1
71.52232	1.2
72.67300	1.4
73.02903	23.2
73.95941	1.1
75.04452	1.4
79.05028	1.9
79.05486	34.7
81.03410	19.5
81.07045	87.3
83.04970	11.8
83.08615	15.8
85.02892	17.5
85.06515	4.4
91.05457	38.3
93.03386	1.6
93.07031	32.3
95.04955	13.6
95.08598	26.7
97.02872	8.5
97.06510	14.1
97.10175	5.7
98.20589	2.1
98.58617	1.3
99.04437	9.9
99.08080	5.0
105.06336	2.3
105.07016	34.8
107.04922	8.8
107.07906	2.0
107.08579	21.5
109.02864	28.9
109.06507	20.9
109.10154	12.9
110.03624	5.7
111.04428	25.6
111.08035	7.4
113.05985	1.5
115.05447	2.2
117.07007	7.8
119.08556	29.7
121.06479	5.4
121.10131	16.5
123.04396	1.3
123.08062	10.1
123.11657	9.4
125.09598	3.3
127.03893	13.3
127.07494	1.7
129.06985	4.5
131.08545	14.7
132.87178	1.4
132.99550	9.2
133.06448	2.1
133.10098	19.3
135.08031	8.1
135.11687	9.7
137.09607	5.1
142.07674	1.9
143.08549	3.4
145.06488	1.6
145.10092	16.7
147.08029	2.3
147.10558	2.3
147.11667	28.9
149.09595	10.4
149.13240	10.4
151.00569	3.3
151.11179	4.3
153.12730	1.6
154.29163	1.7
155.08540	1.5
157.10089	7.2
159.11673	12.5
161.09605	2.9
161.13235	5.5
163.11162	11.9
163.14763	1.9
165.12756	10.6
169.10124	2.7
171.11642	3.5
172.98941	2.5
173.09581	2.8
173.13220	7.2
175.11156	6.5
177.12737	5.0
179.14296	2.7
181.10057	1.6
181.12167	1.5
183.11700	4.0
183.13683	2.1
185.13184	1.4
186.51921	1.2
187.14841	2.4
189.11147	2.6
191.00081	10.4
191.10658	1.9
191.14371	1.4
193.12210	4.9
195.13795	2.6
197.13223	2.3
201.12717	2.5
201.16342	1.2
205.12224	2.5
207.13826	2.4
209.01144	3.3
211.13268	3.2
221.15419	1.2
223.13237	2.1
227.12785	2.8
229.14297	2.6
229.19437	3.7
239.18002	4.2
247.20575	5.9
257.18954	13.5
267.15872	1.9
275.20029	100.0
276.20325	2.0
285.16879	3.5
291.19342	3.7
293.21078	37.2
331.22562	1.4
349.23679	25.1
365.23218	1.8
367.24756	20.1
391.24496	2.0
575.25000	7.9
575.34271	2.1
593.25958	17.4
593.36603	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	593.2617
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.03926	8.6
55.01870	22.0
55.05281	1.8
55.05506	25.6
57.03426	11.9
57.07045	2.3
59.25373	1.8
61.02912	2.3
65.03936	4.1
67.05138	2.8
67.05492	51.5
69.03418	26.9
69.07056	26.3
70.06555	4.2
71.04975	5.6
71.70309	2.9
73.02914	19.3
75.04466	2.3
79.05476	49.0
80.02003	1.7
81.03400	21.6
81.07042	78.9
83.04955	14.1
83.08603	14.0
84.08125	2.8
85.02879	17.3
85.06509	3.5
91.05448	36.6
93.07027	40.2
95.04939	15.3
95.08589	34.1
97.02846	8.7
97.06508	21.6
97.10152	15.3
99.04427	7.4
99.08043	4.6
105.07008	41.1
105.35683	1.9
107.04924	16.0
107.07902	3.5
107.08570	36.0
109.02854	25.6
109.06498	16.4
109.10134	20.0
110.03626	5.0
111.04422	24.0
111.08041	5.7
115.05360	2.5
117.06992	12.4
117.39983	2.1
119.08556	37.5
121.06475	9.1
121.10132	17.0
123.08031	8.4
123.11682	11.9
125.09619	12.5
127.03905	11.1
129.06982	4.6
131.08546	23.7
132.99533	9.8
133.06464	2.4
133.10094	33.2
135.08003	8.1
135.11664	7.6
137.09581	7.1
139.11162	3.7
141.07028	2.8
143.08519	2.3
145.10086	25.9
147.08032	2.4
147.11668	23.5
149.09619	20.5
149.13226	6.1
151.00713	2.1
151.11185	3.1
155.08496	2.7
157.10109	7.8
159.11678	18.4
161.09592	4.5
161.13251	6.7
163.11179	16.1
165.12711	9.0
171.10236	3.0
171.11664	4.4
173.11807	2.8
173.13235	8.8
175.11177	5.7
177.12717	5.9
179.14287	3.7
181.12500	1.8
183.11613	2.9
185.13132	2.5
187.14807	2.6
189.11255	10.9
191.00020	7.0
191.14345	2.1
193.12224	3.1
195.13811	4.0
197.13239	2.6
203.36247	1.9
205.12219	3.1
209.21028	1.9
213.16446	2.9
223.13228	4.6
227.12747	12.6
229.19456	4.7
239.17885	5.0
245.13834	7.8
247.20561	4.7
253.17952	2.3
257.18988	17.7
265.21692	2.0
267.15985	3.4
269.17273	2.9
273.18341	2.7
275.20010	100.0
285.16629	2.2
293.21069	26.6
304.33704	2.0
308.18552	2.1
311.22107	5.2
317.21326	2.1
331.22647	2.7
349.23712	64.5
367.24731	25.0
575.25018	10.2
575.34125	2.3
587.68433	2.6
593.26556	10.3
593.37048	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	593.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
55.01826	1.8
55.02073	0.5
55.05503	16.6
56.80353	0.4
57.03415	0.5
59.04970	0.5
61.02914	0.5
64.07359	0.4
67.05502	3.0
69.03421	2.5
69.07053	2.7
69.58883	2.7
69.59293	0.8
70.06544	1.1
79.05472	4.5
81.03371	1.2
81.07044	3.1
83.04924	1.3
83.08604	10.5
85.02848	1.0
91.05470	1.0
93.06973	1.6
94.51803	0.4
97.02831	0.6
97.10155	20.3
101.31083	0.4
101.46928	0.4
103.03824	0.5
107.01303	0.5
107.08599	4.3
108.21766	0.4
109.02831	0.8
117.06902	0.5
125.09608	15.6
127.03828	1.4
129.07190	0.4
135.08002	0.9
136.97577	0.4
137.05899	0.8
143.10574	0.5
153.01828	0.7
153.09056	1.3
155.04913	1.1
171.10088	1.6
175.34727	0.5
183.04404	1.9
183.30353	0.5
189.11186	22.1
201.05428	1.2
211.03873	7.2
225.05420	1.0
229.04926	4.7
239.03387	1.1
245.04379	0.5
253.05177	0.5
256.03568	0.9
257.04413	45.1
258.04742	0.5
260.03116	1.6
261.03879	5.0
267.02820	3.3
267.05463	0.6
271.06058	2.2
273.03900	21.6
274.04581	2.3
275.05273	0.5
281.04422	0.9
285.03894	100.0
286.04266	2.1
287.01740	1.0
287.05069	1.0
289.03360	0.7
295.06082	1.0
297.03833	3.0
297.13373	0.9
299.02191	0.9
299.05450	6.7
301.03455	0.6
303.04953	59.8
304.05264	0.8
311.05511	1.0
313.06851	0.9
315.04932	0.8
315.14346	1.7
323.05374	1.6
327.04962	11.3
333.15359	1.7
339.05005	2.8
345.88245	0.5
351.04953	2.1
357.06030	1.5
369.05981	8.6
387.07086	4.8
405.08185	4.8
409.12787	0.7
437.12320	0.7
455.13010	2.3
473.14389	12.9
493.22543	0.6
557.16669	0.5
575.17676	0.8
590.43927	0.5
593.18628	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01852	0.9
55.05494	1.0
55.33847	0.3
57.03408	0.9
59.08530	0.4
61.02925	0.7
63.92702	0.4
67.05486	0.4
68.99782	0.7
69.03416	5.3
69.07037	0.4
69.42698	2.2
69.43135	2.1
70.06567	1.2
71.04990	0.5
72.08147	0.9
73.02888	1.2
78.07472	0.4
79.05456	0.4
81.03403	3.3
81.07018	0.6
83.04961	1.8
85.02892	7.4
86.09676	0.8
91.05449	0.5
93.06995	0.4
97.02872	1.0
99.04443	5.2
103.03928	8.4
107.04910	0.8
109.02868	3.4
111.04435	5.7
119.04919	0.4
119.11625	0.4
121.02864	1.1
123.04375	0.6
125.05977	0.7
127.03898	6.2
129.05457	9.9
135.04395	2.4
136.05231	0.5
137.02322	6.1
137.06003	0.8
139.03798	0.5
141.01814	0.7
145.04932	2.9
147.29056	0.4
149.02354	0.8
151.03876	0.8
153.01801	0.9
161.02357	1.4
163.03893	1.4
165.01791	3.6
167.03383	1.8
171.02953	0.5
171.06557	0.8
173.05916	0.5
177.01793	1.2
179.03384	0.7
181.04816	0.4
183.02866	2.2
183.04359	0.5
187.03795	0.6
189.07590	0.9
191.03305	0.8
195.02867	2.2
211.03894	1.4
213.05434	0.5
215.03346	0.7
217.05019	0.8
219.02867	0.5
227.06929	0.7
229.04967	1.8
229.07062	0.5
243.02911	0.5
243.15775	0.6
244.07179	0.5
247.08072	0.7
255.06480	0.8
257.04419	8.1
258.04935	0.5
259.06274	1.0
261.03922	1.9
271.06027	2.9
272.06683	3.5
273.03928	5.2
274.04453	0.6
281.04498	0.4
283.06021	2.9
285.03897	26.6
286.04572	1.8
287.02463	0.3
287.05481	8.9
287.10266	1.2
295.06009	1.0
297.04190	0.9
297.07520	1.5
299.05457	29.4
300.06226	16.1
301.06827	1.6
303.04962	11.2
311.05463	23.5
312.05960	0.6
313.03513	0.8
313.06967	5.0
315.05164	0.9
321.07568	1.3
323.05554	2.7
324.06195	1.6
325.03366	0.9
325.06958	5.6
327.04999	2.9
329.06516	100.0
330.06860	2.2
333.11929	0.5
339.04837	3.0
339.08618	4.0
341.06482	2.1
349.07062	2.6
351.04916	1.0
353.06512	17.8
354.06583	0.5
357.06143	0.8
359.07617	0.9
365.06369	0.8
367.08032	1.7
369.06146	1.1
371.07727	0.7
377.06525	4.4
383.07529	1.1
387.07083	1.2
395.02573	0.8
395.07599	16.2
396.07880	0.5
405.08136	0.9
413.08548	5.4
431.09680	6.9
449.10559	0.5
473.10849	4.2
495.12442	0.8
513.14056	2.9
539.11462	1.9
557.12769	5.6
575.13855	9.8
593.14789	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	592.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01853	18.5
55.05493	37.4
57.03416	12.8
61.02917	10.2
62.74648	5.7
65.03919	7.1
65.32489	5.8
67.05492	74.8
69.03410	16.8
69.07054	35.2
71.04973	9.1
71.71463	12.2
79.05479	57.2
80.05819	13.9
81.03397	22.5
81.07045	87.2
81.47359	6.6
82.07355	16.7
83.04950	15.6
83.08598	26.3
85.02872	20.6
85.06521	7.2
91.05462	51.4
92.05785	13.2
93.07019	55.9
94.07372	7.7
95.04939	26.9
95.08560	35.7
97.02824	8.5
97.06485	17.3
97.10168	30.3
98.71525	6.0
99.04418	7.7
105.07007	50.9
106.07347	8.9
107.04911	19.3
107.08591	47.6
109.02857	11.7
109.06475	14.9
109.10127	23.1
111.04408	25.8
111.08044	10.4
117.06995	18.9
119.04806	7.1
119.08556	42.3
121.10139	32.6
123.08060	8.3
125.09595	19.2
127.03867	12.0
129.07004	12.8
131.08531	26.5
133.10101	26.4
135.11626	11.3
145.06430	8.5
145.10110	29.1
147.08022	21.0
147.11650	13.7
149.09607	23.9
157.10065	10.7
159.11690	16.1
161.09572	6.1
163.11148	23.9
173.09557	8.8
177.12682	10.7
181.12206	6.7
183.11621	12.7
189.11160	26.7
191.10603	10.1
209.11691	6.5
223.13260	12.5
227.12700	37.9
245.13875	14.3
257.18921	17.0
265.14355	9.2
266.14709	9.9
269.17462	13.2
273.18463	24.3
274.18765	18.6
275.20044	61.2
276.20309	7.6
283.15280	9.4
284.15805	8.7
291.19473	29.8
292.19708	30.1
293.21149	11.3
348.22244	9.3
349.23688	100.0
366.23376	13.0
367.24564	21.2
479.15756	7.4
574.34406	9.6
592.36218	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	591.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59655	2.6
53.03930	4.0
55.05508	17.3
57.03425	11.8
57.06805	3.9
57.07067	41.7
64.31795	2.7
67.05494	58.4
69.07062	16.9
70.13273	12.2
71.08621	32.2
73.83144	3.4
79.05482	43.5
81.07040	62.1
83.08623	17.7
83.09009	2.9
85.06520	3.7
85.10165	18.4
91.05471	19.1
93.07018	50.2
95.08590	56.4
97.10145	7.4
105.06999	13.1
107.08569	29.8
109.10118	19.1
117.07001	6.4
119.08557	11.4
121.10098	27.1
121.72134	3.0
123.11697	3.9
131.08540	12.9
133.10100	7.7
135.11671	17.0
137.13228	5.4
143.90909	3.4
145.10052	14.7
147.11696	6.3
149.13220	10.3
151.14738	2.9
159.11691	4.2
161.13234	7.6
163.14784	12.3
173.13226	10.3
177.16348	5.5
187.14793	4.0
201.16580	3.5
203.53740	3.0
233.22476	3.4
239.23499	3.8
243.21069	26.5
261.22107	51.5
313.23889	6.3
313.27335	100.0
317.24637	12.9
335.25754	64.3
336.26178	3.3
399.54257	3.5
573.48566	17.8
591.49530	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	592.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.2
55.05508	12.7
57.03447	5.3
67.05493	23.2
68.05822	4.2
69.07061	10.1
70.06603	5.9
71.04992	3.4
79.05472	26.7
81.03412	7.8
81.07040	41.0
81.07406	3.4
81.55976	3.2
82.07376	4.2
83.04983	6.5
83.08653	8.3
85.02879	5.5
90.04544	3.3
91.05475	17.1
93.07044	17.7
95.04972	9.2
95.08590	9.0
97.06542	6.6
97.10213	3.7
98.20586	5.8
105.07039	15.0
107.00946	3.7
107.04966	4.2
107.08617	10.5
109.06520	16.5
109.10157	8.2
111.04458	4.6
117.06981	5.5
119.08575	16.5
121.10152	10.8
123.08053	5.2
131.08563	7.5
133.10117	7.8
135.08110	3.8
135.11696	5.6
145.10152	10.5
145.70979	3.4
147.11690	8.4
149.09602	7.6
149.13341	3.6
159.11679	6.0
161.58168	3.6
163.11179	4.7
167.32790	3.3
227.12836	5.2
229.83717	4.6
241.35945	3.6
275.20087	43.2
291.19543	3.5
292.19873	5.1
293.21164	6.1
349.23715	82.7
367.24768	100.0
368.25015	6.1
443.37375	3.4
455.24268	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	591.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91394	1.0
53.03921	1.6
53.48199	1.0
53.82927	0.9
55.05503	12.4
57.03428	10.4
57.07066	30.6
58.19593	1.0
65.03923	1.6
67.05495	51.0
69.07061	14.5
69.43064	12.0
71.08617	22.4
75.91106	0.9
76.59756	0.9
79.05478	32.4
80.16041	1.1
81.07044	63.2
83.04974	1.1
83.08611	12.1
85.06544	2.1
85.10178	11.6
85.88893	1.0
89.06004	1.3
91.05458	18.0
93.07027	36.4
95.04952	2.4
95.08588	51.3
97.06497	1.9
97.10162	5.3
99.08090	1.2
105.07025	11.2
107.08573	21.9
109.06514	1.2
109.10136	23.0
111.08086	1.1
111.11709	1.4
117.07023	5.0
119.08551	11.0
121.10114	19.7
123.08128	1.0
123.09341	1.2
123.11691	11.9
131.08543	10.8
133.10107	8.9
135.11665	13.0
137.13242	4.1
145.10094	8.4
147.11664	8.3
149.13240	10.1
151.14787	1.6
159.11682	6.8
161.13211	6.1
163.14742	5.1
173.13242	9.4
175.14859	2.2
177.16296	3.0
187.14783	3.5
201.16344	1.1
233.22614	2.6
239.23616	4.9
243.21008	12.7
257.24588	1.2
259.20566	1.3
261.22104	60.3
277.21445	2.0
279.23184	3.1
313.27313	100.0
314.27786	2.3
317.24680	13.9
323.99545	1.2
335.25732	61.9
336.25955	1.7
450.28656	1.3
499.44885	2.4
573.48773	19.4
591.49371	7.0
609.06677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.3
53.00293	9.2
53.03948	10.9
55.01859	20.3
55.05234	3.6
55.05502	73.8
57.03426	11.8
58.51997	2.0
59.04987	6.9
59.58630	2.0
65.03921	5.3
67.05492	87.9
69.03411	9.1
69.07053	32.7
70.05840	10.8
71.01353	4.6
71.04974	12.0
71.08620	2.5
73.02923	1.9
79.05479	79.0
81.03398	19.2
81.07041	91.4
82.07326	2.1
83.04971	28.6
83.08603	44.3
85.02888	9.5
85.06532	8.7
85.54352	2.1
91.05463	87.6
93.07032	75.0
95.04955	85.3
95.05569	2.2
95.08598	37.8
97.02885	9.4
97.06521	15.2
97.10155	19.4
99.00810	22.2
99.04455	15.8
99.08049	3.0
103.05494	3.8
105.04516	3.3
105.07015	78.6
107.04942	30.2
107.08574	69.1
109.02857	20.4
109.06498	24.8
109.10138	33.5
111.04435	27.4
111.08057	13.5
113.05961	3.4
115.03917	3.9
115.05390	2.5
117.06992	21.7
119.04942	4.4
119.08565	49.3
121.02915	2.4
121.06489	23.3
121.10123	32.7
123.04440	2.7
123.08046	12.8
123.11735	13.3
125.09614	25.1
127.03909	4.6
128.06206	6.0
129.07024	9.5
130.07719	2.3
131.08545	26.7
133.06499	6.1
133.10107	79.9
135.08043	12.6
135.11653	16.1
137.05937	5.6
137.09636	7.2
139.07611	2.2
139.11209	2.8
141.07014	2.6
143.08594	15.1
145.06502	3.5
145.10094	31.7
147.08017	6.0
147.11656	18.7
149.09589	37.5
149.10664	3.3
149.13138	3.0
151.11163	18.1
153.09135	4.0
155.08408	4.7
157.10124	4.7
159.11676	16.0
161.09601	32.9
161.10857	3.5
161.13278	6.3
163.11163	30.3
163.14818	2.7
165.09145	3.2
165.12711	4.7
169.10114	5.7
171.08037	5.7
171.10129	3.5
171.11647	4.2
173.09610	4.5
173.13158	4.8
175.11240	4.3
175.14859	3.5
177.12732	5.8
179.09076	3.3
179.10628	17.2
181.12202	6.0
183.11771	3.3
187.11163	6.5
189.09123	15.2
189.11069	13.3
197.11583	5.1
201.12810	2.6
205.12262	9.9
207.10197	4.0
209.11674	4.0
211.13228	3.3
217.15804	2.3
223.13261	78.9
225.11208	21.3
227.12827	7.5
229.19484	6.5
239.17921	5.0
257.18881	13.1
257.90506	2.1
267.16162	2.7
273.18546	6.6
275.20029	98.5
276.20212	3.1
281.13898	9.2
281.17352	2.7
283.15372	3.3
291.19547	5.4
293.21057	47.1
293.24094	3.2
299.14999	12.8
311.22263	3.5
322.59427	2.3
334.04468	2.1
347.21939	2.6
349.23630	15.7
367.24850	4.3
545.34418	3.1
573.34155	15.4
591.35193	100.0
592.35547	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	589.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.01859	2.5
55.05276	2.1
55.05502	28.1
57.03419	10.7
57.07065	63.0
59.07234	1.8
65.03922	2.6
66.76070	1.8
67.05145	3.5
67.05492	67.4
69.07048	29.8
70.84370	6.0
71.04961	4.3
71.08256	2.7
71.08617	44.4
79.05477	45.1
80.06259	2.4
81.03405	3.8
81.07039	67.8
83.08599	23.6
85.06537	3.7
85.10163	21.4
91.05462	59.6
93.07024	53.3
94.07351	1.9
94.10629	1.8
95.04969	9.2
95.08005	4.1
95.08587	58.9
96.29031	1.8
97.06501	3.5
97.10149	8.9
99.08073	8.9
105.07013	64.6
107.08571	31.2
109.06487	3.9
109.10128	24.9
111.08035	2.5
111.11737	2.4
117.06976	18.0
119.08550	54.0
121.06480	2.0
121.10114	24.1
123.11676	8.1
125.09553	2.3
129.06967	10.4
131.08549	15.4
133.09175	3.4
133.10109	47.0
135.11641	19.8
137.09540	3.0
143.08492	8.9
145.10104	21.3
147.11653	52.1
149.09572	3.0
149.13206	16.6
151.11223	4.4
157.10097	11.4
159.11671	19.2
161.09637	2.5
161.13223	37.2
163.11072	3.9
163.14735	5.3
170.98666	1.8
171.11674	14.2
172.96428	2.2
173.13200	13.2
175.11119	2.9
175.14774	18.4
177.12714	3.4
179.14262	4.0
185.13235	8.5
187.14803	4.4
191.14244	2.3
199.14792	5.6
201.16487	2.2
213.16156	2.9
217.19614	1.9
231.20987	11.5
239.23694	8.6
241.19475	46.2
259.20523	95.6
275.20016	3.3
277.21561	19.9
313.27298	100.0
315.23178	10.0
333.24149	56.8
351.25400	3.1
433.11511	2.0
476.09152	1.9
497.43594	3.9
571.47003	11.0
589.48083	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
51.78401	1.5
53.03925	2.9
55.01860	2.0
55.05502	18.9
57.03425	14.1
57.06794	2.7
57.07070	51.7
63.40054	1.3
67.05495	51.2
69.07060	22.7
69.61475	5.4
69.61909	7.5
71.04993	2.4
71.08618	30.4
78.77684	1.3
79.05486	39.8
81.07043	49.5
83.08615	16.5
85.06562	2.4
85.10172	16.1
89.06014	2.2
91.05466	49.7
91.50043	1.5
93.07034	43.7
95.04971	4.8
95.08591	43.1
97.06531	2.5
97.10151	10.5
98.20731	2.9
99.08064	4.5
103.05492	1.9
105.07014	55.5
107.08581	22.8
109.10131	18.5
111.11708	2.1
113.09629	2.4
117.07006	10.2
119.08566	53.5
121.10121	19.1
123.07996	1.9
123.11661	7.2
129.06984	9.5
131.08548	21.4
133.10107	39.2
135.11684	16.2
137.09656	2.1
137.13248	2.1
143.08546	7.7
145.10094	19.3
147.11668	47.8
149.09583	2.0
149.13242	12.1
151.11169	3.6
157.10118	8.5
159.11670	18.1
161.13243	44.2
163.11221	4.5
163.14839	2.9
171.11665	13.9
173.13254	13.7
175.11198	1.7
175.14809	17.2
177.12747	2.6
179.14290	3.2
185.13251	9.9
187.14832	2.8
189.12758	2.0
199.14807	8.2
201.16440	1.7
213.16281	3.4
215.17871	2.2
231.21005	10.3
239.23663	5.8
241.19493	42.6
257.24692	2.2
259.20538	94.4
277.21640	8.8
288.38403	1.5
313.27313	100.0
315.23138	9.2
333.24210	54.3
333.27356	1.2
438.17758	1.6
571.47321	9.1
589.48175	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.05500	19.9
57.03411	9.3
57.06805	3.4
57.07066	57.7
59.97180	2.3
65.03915	3.1
67.05493	42.3
69.07056	24.6
71.08614	34.3
79.05479	31.5
81.07043	53.7
83.08596	17.7
85.06479	3.5
85.10172	19.5
89.05968	3.6
91.04906	3.9
91.05461	40.6
93.07040	32.0
95.04949	7.2
95.08591	47.9
97.06512	3.3
97.10136	11.2
99.08088	5.0
105.07017	47.0
107.08579	22.9
109.10146	21.6
111.08051	2.9
113.09535	2.4
117.07017	10.9
119.08557	37.0
121.10159	14.5
123.11664	5.2
124.83199	2.2
128.06168	3.1
129.06946	6.9
131.08540	17.8
133.10097	33.8
135.11667	16.9
143.08549	5.3
145.10120	15.0
147.11650	32.3
149.09627	2.3
149.13199	10.1
151.11189	4.1
157.10100	6.9
159.11594	13.7
161.09607	2.6
161.13228	30.8
163.11171	2.7
163.14867	2.8
165.16310	2.2
167.24745	2.1
171.11650	12.1
173.13225	6.6
175.11118	2.3
175.14790	14.9
179.14241	5.3
185.13194	5.8
187.14650	2.6
199.14821	5.6
213.16425	3.9
231.21051	6.1
239.23653	5.0
241.19449	30.6
243.21165	3.0
259.20538	79.5
277.21472	16.3
284.75513	2.9
313.27304	100.0
315.23154	2.9
333.24164	40.6
351.25198	3.1
465.31000	2.7
519.98505	3.0
521.63684	2.3
571.47046	5.8
589.41022	2.3
589.48206	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05504	39.3
57.03417	9.0
57.07068	46.1
67.05499	52.7
69.07056	39.6
69.40190	38.1
71.04989	4.6
71.08623	31.0
79.05480	47.8
81.07046	57.0
81.07491	5.3
83.04929	5.6
83.08614	26.8
84.57352	3.1
85.10162	15.4
91.05472	47.2
93.07034	34.9
95.04937	6.4
95.08593	56.2
97.06512	12.6
97.10157	12.5
98.21471	6.4
103.52973	3.4
105.07013	52.6
105.87565	3.3
107.04939	9.1
107.08566	30.0
109.06462	3.0
109.10130	27.4
111.08109	4.3
111.11720	3.5
117.07019	14.7
119.08562	31.4
121.10135	14.9
123.11710	6.1
125.09589	6.1
129.07005	9.1
130.07770	3.6
131.08528	25.8
133.10110	28.3
135.08041	3.7
135.11708	12.6
143.08559	13.9
145.10106	48.3
147.11662	31.0
149.09592	14.2
149.13298	6.6
157.10135	11.1
159.11649	22.4
161.13211	17.8
163.11171	7.2
169.10110	6.1
171.11646	10.4
173.13280	8.7
175.14807	7.2
179.14346	7.5
183.11644	9.0
185.13260	7.4
197.13289	7.1
199.49306	3.3
201.16309	3.3
211.14790	4.8
237.22194	5.1
239.17949	11.7
239.23912	3.5
241.19548	10.6
257.18961	34.0
259.20572	24.5
275.20032	48.2
293.20972	5.7
302.63696	3.8
311.25827	26.3
313.27377	27.1
315.23483	3.5
331.22708	10.3
333.24258	15.2
458.51553	3.6
569.45782	6.6
587.46680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
53.03941	3.5
55.01863	1.0
55.05502	2.7
55.09540	0.6
57.03427	2.3
59.44706	0.5
65.03939	0.7
67.05489	2.6
69.03416	4.9
69.07050	1.2
70.95676	1.7
75.04489	3.6
77.03915	1.0
79.05484	16.5
81.03394	0.9
81.07053	6.6
85.02887	1.2
90.63140	0.7
91.05465	19.0
93.07030	78.9
94.07407	0.7
95.04950	7.7
95.08597	4.0
97.02884	1.7
97.06516	1.4
103.05461	1.5
105.04485	1.0
105.07017	9.7
107.01311	0.7
107.04849	0.8
107.08576	9.4
109.02868	1.1
109.06480	1.1
111.04416	0.6
111.08039	3.5
115.05437	0.8
116.06228	1.1
117.54895	0.6
119.08559	2.7
121.02863	0.8
121.06480	2.8
121.10127	56.6
123.08037	2.4
125.05964	1.1
125.09583	1.6
127.03910	1.0
129.06955	1.3
131.08546	6.2
133.07565	0.6
137.09598	0.8
139.11166	2.4
149.09596	14.5
151.03867	0.7
155.04871	0.8
167.10663	2.4
174.43504	0.6
183.04390	1.6
201.05475	1.9
211.03891	8.9
219.02797	0.8
225.05482	0.8
229.04941	5.1
239.03297	1.3
243.02788	0.9
253.04950	1.3
256.03583	1.5
257.04416	41.7
258.04776	1.2
261.03918	5.6
263.01733	0.9
265.40417	0.8
267.02820	3.5
271.05981	2.4
273.03897	35.2
274.04596	1.0
281.04373	1.0
285.03897	100.0
286.04224	2.0
287.01736	0.9
287.05386	1.3
295.05948	1.9
297.03818	3.8
299.02097	1.0
299.05408	8.7
301.03345	1.2
303.04959	24.0
304.05606	0.7
311.05405	1.6
311.14905	3.1
313.06931	2.3
323.05402	1.6
325.03363	0.9
327.04953	17.3
329.15924	0.8
339.04901	5.0
341.06641	1.0
351.04922	4.7
357.05969	3.4
369.05978	12.3
387.07074	5.9
405.08237	6.9
405.13071	1.2
423.09073	2.0
433.12808	1.1
434.04272	0.6
451.13812	6.8
469.14655	1.4
535.16010	1.1
571.18018	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	589.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66586	1.4
51.02357	2.1
53.03941	9.4
53.79888	1.3
55.01863	13.6
55.05240	2.4
55.05502	39.8
57.03428	9.9
57.07064	2.6
59.04992	1.7
65.03921	2.9
67.05495	67.0
69.03405	5.6
69.07057	19.6
70.46364	1.4
71.04987	8.3
71.08630	3.7
71.71535	2.5
77.03925	1.5
79.05482	73.2
81.03414	14.6
81.07045	100.0
82.07404	1.8
83.04966	21.1
83.08606	17.7
85.02887	5.2
85.06511	6.2
86.09676	6.3
91.05468	59.7
91.06045	3.2
92.05790	2.4
93.07031	61.0
95.04954	28.8
95.08003	2.6
95.08591	35.3
97.06514	9.7
97.10152	18.8
99.04429	3.4
99.08054	5.3
102.41761	1.5
105.07012	47.5
107.04945	13.0
107.08578	31.9
109.02798	2.2
109.06496	13.7
109.10141	16.9
111.04426	13.8
111.08060	7.6
113.09616	2.0
114.54999	1.5
115.05458	2.2
117.07004	19.3
117.82063	1.5
119.04919	1.9
119.08569	35.6
121.06477	8.2
121.10127	14.0
123.08049	19.1
123.11668	1.9
124.99969	4.7
125.09608	17.8
127.07508	2.5
128.06136	1.4
129.06992	14.0
131.08553	19.1
133.06454	3.5
133.10097	17.1
135.08044	8.1
135.11690	10.9
137.09598	4.1
139.11168	1.7
141.06932	3.1
141.09032	1.8
142.07733	2.4
143.08543	12.6
145.06396	2.2
145.10098	20.0
147.08020	11.9
147.11667	27.5
149.09595	6.3
149.13248	3.0
151.11128	5.1
153.09084	3.4
153.12701	5.6
155.08511	3.0
157.10075	4.9
159.07986	3.4
159.11626	8.2
161.09572	7.3
161.13239	9.8
163.11177	15.6
165.09111	4.8
167.08630	1.8
169.10115	2.1
171.10179	3.1
171.11647	19.7
173.09563	4.4
173.13240	2.0
175.11130	3.3
177.12715	2.4
179.14290	1.9
181.09996	2.3
181.12215	6.1
183.11562	2.3
184.07303	17.3
185.07613	4.7
185.13243	3.5
187.11140	2.2
187.14751	2.3
189.11191	16.7
189.12762	6.9
191.10667	5.5
193.12157	1.8
195.11623	1.9
201.12714	2.2
205.12241	2.2
207.13815	16.1
209.11552	2.7
219.14006	1.6
223.13237	9.0
224.07623	1.4
227.12744	14.9
227.17926	1.7
230.80946	1.4
231.17587	1.5
241.14253	1.5
245.18985	5.1
247.20906	1.4
249.14906	1.8
253.14445	1.5
255.17415	3.3
271.20575	1.8
273.15631	2.8
273.18457	30.2
275.19968	3.0
277.21573	5.1
279.15833	2.1
281.17432	31.2
283.15344	3.7
291.19501	49.3
292.19745	1.9
293.21051	2.0
295.22736	2.9
297.17093	1.6
299.14941	2.6
308.91684	1.7
327.22964	2.2
329.21106	1.5
347.22150	6.4
365.23276	12.2
403.32190	2.4
451.26788	3.4
479.31143	1.7
539.94183	1.5
547.19836	1.7
553.34760	5.3
571.36401	23.2
589.37317	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	587.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01855	10.5
55.05499	27.7
57.03420	7.3
57.07068	41.7
63.42582	2.7
65.03922	3.9
67.05489	54.2
69.07052	47.7
69.60564	10.9
69.60997	15.4
70.21801	2.6
71.08617	32.1
77.03963	3.4
79.05479	42.8
81.03403	8.7
81.07040	72.1
83.04969	9.7
83.08601	27.3
85.06493	3.8
85.10161	10.2
91.05465	54.3
93.07021	35.6
95.01318	11.7
95.04955	10.8
95.08585	60.7
97.06540	18.3
97.10152	13.0
98.20722	6.5
99.08047	4.0
101.06098	3.2
105.07016	70.6
105.87957	2.9
107.04925	18.8
107.08568	23.3
109.06493	8.2
109.10109	18.9
111.08027	3.2
117.07015	13.4
119.08566	41.2
121.10114	15.0
123.11719	5.4
131.08536	23.3
133.10101	42.4
135.07997	4.8
135.11668	10.0
135.18942	2.8
137.09668	3.7
143.08534	3.6
145.10110	20.2
147.11713	17.0
149.09653	8.4
149.13222	7.0
151.11179	7.4
153.69458	3.6
155.08505	3.2
157.10159	5.8
159.11713	20.1
161.13226	7.3
171.11571	4.3
173.13252	6.1
177.12706	4.6
179.14259	24.2
219.17424	25.0
239.17952	4.9
239.23619	5.2
257.18948	10.6
275.20010	97.6
276.20358	4.3
277.21585	6.4
280.56018	2.8
293.21072	5.4
442.57257	3.5
479.96936	4.6
534.75574	3.0
587.46533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01852	2.1
61.02915	0.7
61.21954	0.5
65.03930	2.9
67.05470	0.7
70.06577	2.6
70.87325	1.2
70.87678	0.9
75.04454	2.7
78.04693	2.1
79.05464	2.1
81.03390	0.7
81.07034	0.6
82.71991	0.5
85.02892	4.7
86.09689	1.9
86.99380	0.5
89.03883	1.0
89.06019	1.2
91.05463	9.8
93.03391	10.1
93.07042	4.9
95.04952	3.6
97.02874	0.6
97.06505	2.3
98.97562	0.9
102.05521	2.2
103.05459	5.5
105.07000	4.7
106.04153	21.8
107.04968	1.2
109.06512	0.8
111.04416	0.8
115.05403	0.8
117.03365	1.0
119.04908	2.0
120.08056	0.6
121.02832	1.0
121.06485	25.1
123.04401	0.9
123.08062	1.0
124.05156	0.5
125.05974	6.9
127.07455	0.6
131.04883	2.4
133.02832	3.6
133.06477	3.6
134.03618	3.0
135.04361	1.1
137.05923	3.8
138.06735	1.2
139.07512	2.3
145.02811	1.1
147.04349	2.0
148.05139	2.2
149.05952	41.6
150.06253	0.6
151.03923	0.7
151.07521	1.6
153.05420	1.5
153.09084	11.9
161.05951	8.4
163.03876	1.0
163.07489	2.8
165.05424	1.7
166.06203	1.6
177.05444	21.4
177.06999	1.1
177.08990	1.0
177.90376	0.6
179.06984	1.4
181.08560	19.9
191.06995	12.2
193.08592	7.9
209.08054	100.0
210.08372	1.9
211.14359	0.5
286.04156	0.6
303.04990	0.6
304.05164	0.7
353.42737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	9.8
55.01848	7.2
55.05492	34.0
57.03421	11.3
57.07064	33.1
65.13461	5.7
67.05493	54.0
69.07059	33.3
69.40179	17.8
69.40601	52.9
71.08621	26.0
79.05482	40.2
81.07045	68.6
83.08599	38.0
85.10178	12.0
88.17540	6.0
91.05452	38.4
93.07033	42.5
95.04933	12.4
95.08590	53.8
97.06507	12.6
97.10159	15.1
101.56934	5.7
101.81754	6.2
105.07000	44.4
107.08574	25.1
109.10151	24.2
113.56999	6.1
117.07032	11.5
119.08560	33.9
121.10104	27.0
123.11660	7.4
129.06976	9.4
131.08536	17.9
133.10121	29.2
135.11681	14.6
145.10107	43.2
147.11646	20.4
157.10097	8.8
159.11621	29.2
161.13210	14.1
163.11197	8.4
169.10104	6.5
171.11758	6.7
173.13277	12.9
183.11766	6.5
237.22110	9.2
239.17911	7.0
257.18964	25.3
259.20627	18.5
275.19952	31.7
277.21539	10.9
290.99762	5.9
311.25790	26.8
313.27383	20.7
331.22687	10.6
333.24124	11.9
499.70551	8.8
587.46472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03388	3.0
70.06568	6.9
71.69057	5.2
72.08116	3.2
79.05479	9.1
81.07067	3.2
84.04472	3.8
84.08134	6.6
85.02896	10.1
91.05469	6.4
97.02890	12.2
103.05455	6.2
103.83741	3.2
107.04934	18.7
110.40336	3.1
111.04512	2.8
115.05424	5.7
117.07004	5.4
121.02871	7.5
128.06226	5.9
129.07010	15.3
129.10228	5.9
131.04932	15.5
131.08559	6.3
133.06505	4.1
137.05963	100.0
137.07011	5.8
142.75659	3.1
143.04849	3.7
144.05724	6.1
145.04990	2.7
145.06480	9.5
151.07513	3.9
156.05714	12.2
157.06505	11.5
159.08072	10.2
160.05136	3.5
161.06007	6.5
163.07550	3.3
167.05603	3.3
167.07021	63.0
172.05161	5.4
173.05986	9.0
174.06789	4.5
175.07549	24.6
185.06020	3.3
187.07536	31.5
189.09018	18.2
199.07703	3.3
201.09068	3.7
202.06108	3.8
203.08572	3.9
205.08517	18.8
209.08029	5.8
217.08578	90.9
218.07179	3.5
219.10149	12.5
221.09676	3.4
233.09692	5.6
235.09659	4.6
241.08792	3.1
245.08133	5.8
247.09654	14.5
249.09076	6.8
261.09189	8.6
263.07037	3.1
266.09464	3.5
274.04230	4.1
277.08475	7.2
278.09332	6.3
281.11691	3.3
289.08652	3.1
293.11761	3.1
296.50125	3.1
300.09915	8.4
309.11176	6.8
321.11292	8.1
326.11597	4.3
341.13837	31.7
353.13824	41.1
371.14886	57.2
382.22482	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	586.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	1.9
65.03925	3.1
67.05488	1.1
68.74905	1.1
70.06579	8.6
71.04977	1.0
71.70064	1.7
75.04461	3.7
78.04689	2.7
79.05472	2.3
81.03390	2.0
81.07023	1.2
84.04481	1.5
84.08121	2.2
85.02885	5.8
86.09711	4.4
89.03877	1.9
89.06012	1.3
91.05463	13.2
93.03392	8.6
93.07038	7.0
95.04969	5.4
97.06503	2.6
103.05456	7.0
105.03352	1.0
105.04539	1.1
105.07034	7.8
106.02930	1.6
106.04156	30.9
107.03265	0.9
107.04959	2.0
109.06479	1.4
110.07186	1.1
111.04386	1.1
115.05423	2.5
118.04146	2.1
119.04911	3.1
121.02881	1.5
121.06499	29.3
123.04443	1.5
125.05972	8.0
129.10223	1.5
131.04903	2.9
133.02841	2.9
133.06474	7.1
134.03624	4.7
135.04454	1.2
135.89481	1.1
136.07552	1.3
136.92303	0.9
137.05971	8.1
138.06738	2.0
139.07541	3.0
147.04391	3.7
148.05165	2.8
149.05962	44.8
151.03899	1.9
151.07494	2.1
153.05435	2.2
153.09068	11.6
161.05956	16.3
163.03880	2.3
163.07564	4.9
164.07053	1.8
165.05392	1.9
167.06949	1.0
177.05453	20.6
179.06918	1.4
181.08580	19.4
185.58401	1.0
191.07001	8.9
193.08580	12.5
209.08061	100.0
210.08397	2.3
273.03998	1.2
285.03937	2.2
288.40207	1.0
292.94165	1.0
302.45435	1.0
359.14828	1.2
387.00012	1.2
587.41180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.96552	1.5
60.73009	0.8
67.05489	2.8
68.11492	0.6
69.03439	1.1
69.44084	7.6
70.06572	3.2
72.08139	1.5
79.05476	1.8
81.03389	1.4
81.07037	3.0
83.04991	0.8
84.08129	1.4
85.02879	0.9
86.97402	0.7
89.55688	0.7
91.05466	1.2
93.07032	1.6
94.15466	0.7
95.08592	1.0
98.21469	1.7
98.97583	1.0
105.07071	0.8
109.10175	1.6
116.98609	0.9
119.08512	0.8
121.10115	0.8
125.09565	0.9
131.00160	1.4
133.30441	0.7
136.07559	0.7
149.01218	3.0
177.00729	1.0
293.05484	1.3
311.06219	0.9
325.44354	0.7
331.15768	1.4
349.16876	3.2
357.25250	0.7
367.18008	1.6
418.47391	0.8
423.26434	0.8
438.40683	0.8
516.18939	0.9
585.26624	100.0
586.27216	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
58.23409	0.3
66.11153	0.3
69.82846	2.0
70.06573	1.3
70.98124	0.2
72.08144	0.6
79.05476	1.2
81.03415	0.4
81.07046	0.4
83.01084	0.9
84.08130	0.8
86.09675	0.6
91.05473	0.6
93.07051	1.0
95.01060	0.4
105.07044	0.3
107.08560	1.7
121.10126	0.8
135.11748	0.4
139.03667	0.5
141.22403	0.2
145.10121	0.3
163.07455	0.4
163.11177	0.4
164.59323	0.3
167.06996	0.4
170.58487	0.3
184.03520	0.4
185.04123	1.3
201.03729	1.0
201.09843	0.3
203.05185	1.6
240.19382	0.3
257.04553	0.8
259.07904	1.9
273.03900	0.7
285.03900	2.1
301.13162	0.4
301.63187	0.5
303.04947	0.4
331.09879	1.9
339.05255	0.4
345.11639	0.6
349.19617	0.6
359.12979	0.4
387.16339	0.9
401.17926	0.7
423.23441	1.8
457.20389	1.0
469.20438	0.6
471.21744	0.6
515.21259	0.6
585.28748	100.0
586.28961	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	585.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	2.0
63.04362	0.8
67.05499	1.1
70.06602	1.0
70.95764	2.1
72.08141	0.9
79.05478	1.1
81.07038	1.2
98.97586	1.2
112.99120	0.8
121.10038	0.7
125.94927	0.8
129.28226	0.7
131.00192	2.0
149.01212	4.3
161.77493	0.8
167.02301	1.4
197.13142	0.7
225.56290	0.7
234.32317	0.7
259.12256	1.3
269.22345	0.7
293.05386	1.9
331.15823	1.3
349.16858	5.7
367.17941	3.0
384.03302	0.7
412.86481	0.8
462.77634	0.8
516.18677	1.2
541.24365	0.8
585.26599	100.0
586.27106	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	585.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.4
63.55442	0.5
67.05486	1.2
70.06574	1.1
71.51674	0.9
72.08154	0.6
79.05506	0.6
80.12067	0.5
81.03404	0.5
81.07043	1.2
84.08132	0.6
89.93405	0.4
90.75145	0.5
91.05457	0.8
93.07019	0.7
105.07001	1.1
109.10130	0.6
112.99082	0.9
113.92069	0.5
119.08595	0.6
131.00139	0.9
141.78914	0.5
149.00165	0.5
149.01161	2.6
155.82156	0.5
167.02325	1.2
167.06967	0.7
168.20175	0.6
184.84323	0.5
191.02237	0.7
199.02599	0.6
269.10458	2.8
285.03900	1.0
293.05411	2.2
311.06509	1.8
367.18124	0.6
487.18222	0.8
585.26624	100.0
586.26770	4.0
611.24097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.96556	1.9
63.82771	0.7
67.05141	0.8
67.05487	3.5
69.07049	0.7
70.06579	10.2
70.13660	2.0
70.14079	2.6
70.67218	0.7
72.08138	3.7
79.05474	2.3
81.03403	1.1
81.07017	1.8
83.04975	1.0
84.04478	1.1
84.08125	4.6
86.09708	1.3
90.05527	0.9
91.05467	1.4
93.07016	2.3
95.04965	1.0
95.08588	1.5
97.02879	0.9
98.21382	1.0
105.06999	1.3
107.04937	0.9
107.08592	1.0
109.02892	0.8
116.98589	1.0
117.06941	0.9
117.78618	0.9
119.08459	0.9
121.02793	1.0
127.36066	0.7
129.06891	1.0
129.10245	1.5
131.00052	1.0
131.04872	0.9
131.08516	0.8
133.10139	1.4
136.07539	1.1
147.11711	1.3
149.01192	2.5
167.02238	1.3
271.49524	0.8
285.03864	1.2
293.05377	1.6
349.16745	1.7
367.18100	0.8
487.20789	0.9
585.26794	100.0
586.27069	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	585.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	0.5
55.05505	3.4
55.89018	0.3
56.40100	0.4
57.03419	0.4
57.07085	0.4
63.55925	0.3
64.49644	0.3
67.05506	2.1
69.03428	2.5
69.07059	2.2
69.21942	0.3
70.06577	1.1
70.62583	0.9
70.62984	0.8
72.08144	0.4
77.03905	0.5
79.05482	16.8
80.39648	0.4
81.03408	1.0
81.06600	0.7
81.07040	7.7
84.04531	0.4
84.08126	0.6
86.09670	0.5
89.57994	0.4
91.05463	14.0
92.47784	0.4
93.07030	46.7
94.07360	1.0
95.04955	3.8
95.08574	1.5
97.02892	0.4
103.05420	0.6
105.04516	0.6
105.07003	7.7
107.04857	0.5
107.08576	57.2
108.08907	0.8
109.02872	0.7
109.06490	2.2
111.04417	0.9
117.06988	1.6
119.06111	0.4
119.08557	7.9
121.06497	1.7
121.10120	20.8
127.03907	0.7
129.06961	0.5
130.07773	1.7
131.08591	0.5
135.08015	1.0
135.11671	29.2
136.11995	0.6
137.05922	0.7
139.69923	0.4
143.08595	0.7
145.10114	5.5
151.03874	1.1
153.01749	0.6
153.05460	1.0
155.04909	1.5
163.11156	12.9
173.05876	0.4
181.12177	0.7
183.04395	1.1
185.04265	0.9
187.03900	0.5
201.03773	0.4
201.05472	1.7
211.03877	6.2
225.05420	0.8
229.04976	4.4
239.03270	1.0
243.02731	0.4
253.04903	0.4
256.03601	1.0
257.04425	35.0
258.04813	1.0
259.08136	0.5
260.03152	0.6
261.03906	4.4
263.01883	0.7
267.02802	2.0
269.04398	0.4
271.03308	0.4
271.05859	2.1
273.03903	17.7
274.04587	0.7
281.04446	0.6
285.03894	100.0
286.04294	2.3
287.01874	1.1
287.05289	0.7
289.03189	0.5
291.31421	0.4
295.06067	0.8
297.03870	2.0
299.02197	0.7
299.05380	6.6
301.03564	0.8
303.04962	11.6
307.15363	0.7
311.05606	1.1
313.07019	1.1
315.04779	0.5
323.05524	1.2
325.16394	4.1
327.04947	10.8
327.12131	0.7
331.09933	1.4
339.04883	3.9
351.04987	2.7
357.06027	1.7
359.14755	2.9
369.06024	9.8
387.07037	3.0
401.17535	0.9
405.08197	3.2
423.23438	1.0
433.74280	0.4
447.14456	1.1
452.37396	0.4
457.20218	1.0
465.15320	3.7
471.21817	1.1
567.18494	0.6
585.28717	49.4
586.28979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90851	0.5
53.03928	1.0
55.01863	0.8
56.05022	0.4
57.03446	2.1
58.20591	0.4
60.06741	0.4
61.02922	2.9
64.53477	0.4
69.03417	6.8
70.06586	1.2
71.04980	0.9
73.02898	1.3
81.03409	2.6
84.04465	0.6
85.02382	1.0
85.02889	18.1
86.09686	0.6
87.04425	0.8
91.03901	1.2
96.23086	0.5
97.02879	5.3
99.04395	0.9
103.03912	1.4
107.01296	0.9
109.02865	2.9
115.05460	0.5
121.02869	0.6
124.41674	0.4
127.03909	2.9
145.04958	1.1
153.01822	1.7
171.04332	0.5
193.06480	0.8
201.05513	0.5
203.03548	0.5
211.03903	1.4
215.03406	0.6
217.05016	0.5
219.02853	0.9
221.05914	0.6
225.05388	1.4
229.04941	2.0
241.04874	0.8
243.02811	0.9
245.04398	2.1
253.04887	1.6
255.06442	0.5
257.04413	15.9
260.03085	2.4
261.03860	7.6
263.01776	2.2
265.04816	0.8
267.02905	1.5
267.06354	0.7
269.04559	0.7
271.05923	6.0
273.03888	100.0
274.04477	4.4
277.04910	1.1
281.04349	2.2
283.06210	1.0
284.03311	0.6
285.03912	11.8
285.07272	1.2
287.02026	0.9
287.05460	1.7
289.03534	0.7
295.06149	2.9
297.03809	3.5
298.04541	0.8
299.01810	2.9
299.05383	17.6
303.04941	56.7
304.05341	0.8
305.04419	0.6
310.04611	0.7
311.05389	1.6
313.03751	0.9
313.06995	5.8
315.04800	0.8
321.03683	0.6
323.05554	3.6
325.03403	0.9
325.07104	0.6
327.04935	27.1
339.04932	17.2
339.09036	0.8
341.06509	1.7
351.04907	8.6
351.96167	0.6
357.06000	21.7
369.06009	16.5
369.09338	0.5
369.10608	0.7
379.87537	0.5
387.07040	18.6
389.08673	0.8
405.08109	22.6
406.08035	0.6
407.09567	1.7
423.09167	9.2
514.74298	0.5
585.06329	0.6
585.14331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01849	1.3
57.03419	2.6
61.02915	2.6
69.03091	0.6
69.03416	7.5
69.97792	3.0
70.06573	1.0
73.02925	2.4
73.03259	0.6
81.03397	3.5
85.02889	26.1
87.04455	0.6
91.03909	0.6
95.84550	0.5
97.02877	6.5
99.04435	1.1
103.03912	6.2
105.48064	0.6
109.02862	3.0
115.03885	0.6
127.03900	4.2
130.35342	0.5
145.04915	1.4
153.01796	1.1
169.31561	0.5
171.04260	0.5
183.04478	0.7
191.17737	0.6
201.05421	0.9
211.03868	2.8
219.02852	1.6
225.05406	1.8
227.03435	0.6
228.04466	0.5
229.02991	0.5
229.04912	3.1
239.03346	0.7
239.06902	0.6
241.05016	0.6
245.04390	1.7
249.05289	0.7
253.04929	1.2
255.03047	0.5
256.03641	0.9
257.04407	25.2
258.04752	0.7
260.03171	3.9
261.03839	5.3
263.01834	1.5
267.02884	1.7
267.06540	0.5
267.09790	0.6
269.04498	1.0
269.07840	1.0
271.05911	6.9
273.03891	72.4
274.04559	4.7
281.04416	2.1
284.03189	1.1
285.03915	16.6
285.07245	1.3
287.01779	1.7
287.05283	1.0
293.04327	0.6
295.06088	2.5
297.04044	3.0
297.07162	0.8
299.01877	1.8
299.05411	20.7
299.08871	1.2
300.05783	0.6
301.03448	0.6
303.04941	100.0
304.05237	1.7
310.04712	0.6
311.05453	3.5
313.03494	0.8
313.07010	6.9
315.04993	1.0
315.08575	0.7
323.05453	3.6
325.03305	1.4
326.03812	0.6
327.04935	34.3
327.08035	1.3
328.05273	0.6
339.04956	14.0
339.08981	0.9
340.05316	0.6
341.06665	2.6
351.04932	7.7
357.06000	17.1
358.05991	0.6
369.05966	15.8
381.05963	0.6
387.07022	15.8
387.11722	1.0
388.07281	0.8
405.08099	26.2
406.08197	0.9
415.10251	0.7
417.08032	0.8
423.09137	4.7
429.11960	1.1
447.13159	0.9
465.14297	0.6
531.15320	0.5
553.15051	0.6
567.15717	0.7
585.06409	1.9
585.18823	1.2
609.34650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76163	2.3
54.93932	2.4
60.51751	2.3
68.65070	2.8
71.36526	4.8
75.73457	2.5
80.57826	2.5
85.02882	9.4
116.98224	2.0
118.23631	2.2
118.62148	2.5
127.39095	2.3
208.16145	2.3
225.05450	2.9
241.04948	4.1
246.50435	2.9
255.06583	2.8
257.04401	11.5
258.05115	7.8
265.04913	3.6
269.04465	7.0
270.05325	3.3
271.05988	10.9
273.03912	39.1
274.04462	4.3
281.04440	18.0
283.05960	5.2
284.03137	33.5
285.03925	97.6
285.07074	4.0
286.04514	7.4
287.02200	3.1
287.05539	8.6
295.06009	8.8
297.03906	76.1
297.07281	5.8
298.04614	17.7
299.05426	16.8
303.04944	27.9
307.05881	4.8
309.03906	12.2
310.04669	7.5
311.05484	45.3
311.08878	2.2
312.06149	7.3
313.06952	9.5
315.04935	100.0
319.05981	5.7
321.30173	2.9
323.05508	20.3
325.07028	10.1
326.03992	6.2
327.04959	81.5
335.05319	5.1
337.06952	17.1
339.04962	47.0
341.06534	36.8
345.06134	16.1
347.05341	8.5
351.04898	27.0
351.08545	3.5
353.06668	7.2
355.08157	4.3
357.05930	7.3
363.04935	8.8
365.06650	13.4
367.04614	3.6
369.05984	71.6
375.04895	8.6
379.08408	5.2
381.06046	39.7
387.06607	6.6
391.08429	3.1
393.05948	36.9
399.07068	34.1
405.07590	8.9
411.07101	23.0
417.08167	53.4
423.06949	3.9
429.08115	35.0
430.08090	3.0
435.07138	14.8
447.09222	90.8
448.09613	4.0
453.08005	6.1
459.07208	3.8
465.09601	8.6
471.09036	35.1
472.09583	3.1
477.07980	5.4
483.09076	6.9
491.22861	3.5
495.08954	10.7
501.09958	10.9
513.10321	26.1
531.11102	23.2
549.11993	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	585.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.3
69.12859	0.8
70.06200	0.7
71.45290	1.1
71.45639	0.9
77.08730	0.6
81.03403	0.8
85.02879	3.4
97.02892	1.3
109.02816	1.2
153.01767	1.0
160.08139	0.9
171.60242	0.8
183.04240	0.8
187.47272	0.8
211.03882	2.4
219.02756	1.3
225.05450	2.9
229.04953	3.4
243.02744	0.9
243.06526	0.9
245.04407	1.2
249.05505	0.9
253.04987	1.4
257.04407	18.4
260.03146	2.9
261.03973	6.0
263.01776	2.1
267.02875	1.1
271.05920	7.4
273.03891	100.0
274.04419	3.8
281.04358	3.0
285.03909	13.0
285.07358	1.9
287.05438	1.5
295.06091	3.6
297.03958	3.0
298.04822	1.4
299.01816	4.3
299.05396	27.3
303.04944	83.5
304.05243	1.4
311.05359	3.3
313.07019	9.8
323.05508	3.4
325.03406	1.2
327.04947	44.3
338.02350	0.8
339.04953	16.7
341.06522	1.4
351.04919	12.4
357.05981	21.0
369.06009	20.5
387.07028	23.4
405.08105	35.3
423.09113	7.6
435.09363	1.9
465.10080	3.2
489.10355	2.0
519.11017	1.3
549.12097	1.2
567.13074	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	585.1233
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
52.94446	0.2
53.03928	0.7
55.01869	0.5
55.05492	0.4
57.03442	0.2
57.84512	0.2
63.02375	0.3
65.03916	0.5
67.05462	0.3
69.03419	1.7
70.06567	1.3
70.88724	0.7
72.08144	0.5
77.03919	0.6
79.05481	17.1
80.05816	0.2
81.03385	0.7
83.04943	0.3
84.08112	0.4
85.02876	0.6
86.09711	0.3
89.03897	3.6
91.05431	0.3
93.03391	0.5
95.04945	1.6
97.02879	0.6
105.04496	0.4
107.01294	0.4
107.04935	9.3
108.05255	0.2
109.02885	0.5
117.03345	0.6
120.08092	0.3
121.02883	0.4
127.03873	0.9
135.04395	4.6
135.05449	0.3
136.07558	0.5
145.02788	1.0
153.01915	0.5
155.04884	1.0
163.03870	100.0
163.04929	5.1
164.04199	1.5
167.06993	0.3
177.05495	0.3
183.04506	1.1
187.03897	0.4
201.05447	0.7
209.08035	0.3
211.03888	3.8
225.05431	0.5
228.04097	0.3
229.04872	2.9
239.03336	0.6
241.53107	0.3
245.04533	0.3
253.04799	0.3
256.03760	1.0
257.04407	25.9
258.04776	0.5
260.03009	0.3
261.03879	3.0
263.01883	0.3
267.02777	1.1
269.04260	0.3
271.05984	1.0
273.03882	10.9
275.19989	0.3
281.04382	0.3
285.03891	66.6
286.04169	1.1
287.01974	0.6
287.05331	0.4
289.03333	0.6
295.06116	0.4
297.03891	1.3
299.02087	0.5
299.05377	3.7
303.04947	3.1
305.04880	0.3
307.08130	0.4
311.05328	0.4
313.06790	0.4
315.05005	0.4
323.05466	0.7
325.03314	0.6
325.09171	3.9
327.01450	0.4
327.04987	4.5
339.04941	2.8
345.05969	0.3
348.21402	0.3
349.22107	0.4
351.05005	1.3
357.05994	1.5
363.65738	0.2
369.06036	3.0
383.18103	0.3
387.07101	1.7
405.08093	1.9
410.07880	0.3
446.82825	0.2
465.08090	6.5
527.52588	0.3
584.30280	0.4
585.12408	1.3
585.30829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1231
Annotation	6''-hydroxybenzoylhyperin
Peak:m/z	Relative Intensity
55.01862	0.6
61.02911	0.7
63.02358	0.8
69.03404	0.6
69.76319	0.6
69.76720	2.7
70.06580	3.2
70.85764	0.4
72.08138	1.0
79.05470	2.0
84.08124	1.0
85.02907	0.8
86.09680	1.0
89.03905	10.6
91.05491	0.5
105.99277	0.5
107.04931	2.5
107.57340	0.4
115.05402	0.4
117.03365	11.3
121.02869	2.8
135.04399	26.0
145.02820	15.7
153.01822	1.0
155.04907	1.0
159.04469	0.7
163.03880	100.0
170.41447	0.4
173.06023	0.5
183.04364	0.6
186.05450	0.5
187.03864	3.6
191.41870	0.5
194.61472	0.4
205.04877	0.8
211.03847	2.8
219.02887	0.6
225.05490	0.8
229.04944	2.6
239.03447	0.6
243.02809	1.1
245.04547	0.8
257.04404	17.1
260.03143	1.0
261.03891	8.7
263.01764	0.5
267.02771	1.3
271.06006	2.2
273.03882	25.6
274.04553	1.1
281.04468	0.6
285.03909	30.5
287.01974	0.5
287.05521	0.9
287.92151	0.5
295.05896	0.9
297.03915	1.4
299.02139	0.6
299.05389	6.6
303.04941	25.3
311.05438	1.3
313.07047	1.8
323.05515	1.4
325.09177	2.2
327.04907	12.5
339.04858	3.8
351.04941	2.9
355.05624	0.6
357.06049	5.4
369.05988	7.3
373.07285	0.6
387.07031	5.1
405.08112	10.7
419.07507	2.2
423.09241	7.2
429.05984	0.8
447.06964	5.7
465.07977	2.4
585.12238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
54.18472	2.2
55.05506	17.7
57.03428	2.6
57.07064	7.4
57.21452	1.8
59.04995	2.5
63.67204	2.2
65.03922	5.0
67.05505	25.1
69.03410	8.2
69.07063	25.3
69.41097	10.3
69.41528	12.9
74.31430	2.6
79.05488	34.5
79.49699	2.0
81.07046	39.5
83.04980	7.6
83.08602	15.3
85.06526	7.4
87.04485	2.1
89.06052	2.0
91.05470	49.7
93.07033	64.7
95.04961	15.2
95.08589	40.6
97.06523	7.7
97.10151	2.7
101.09462	2.0
103.05449	3.1
105.07015	81.3
106.43880	1.9
107.08585	60.5
109.06511	12.2
109.10143	28.4
111.08089	4.3
111.11704	3.1
115.05451	6.8
116.06175	2.1
117.07005	17.8
119.08567	100.0
121.06499	7.3
121.10122	59.5
121.10974	3.4
123.08064	16.3
123.11691	7.8
125.05977	3.4
125.09606	4.9
128.06204	14.8
128.45697	2.4
129.06975	16.0
130.07773	9.2
131.08548	38.6
133.06564	2.3
133.08617	2.8
133.10109	43.7
135.08064	8.7
135.11673	14.7
137.09590	12.1
139.11179	2.8
141.06978	10.6
141.37549	2.1
142.07742	27.3
142.49651	2.0
143.08537	49.4
144.09337	9.3
145.06544	2.7
145.10109	61.5
147.08043	9.6
147.11670	18.3
149.09558	13.3
149.13239	4.5
151.07568	6.6
153.06923	4.9
154.07713	2.4
155.08517	16.8
156.09357	16.0
157.10106	51.0
158.10909	9.8
158.39755	2.1
159.08075	7.6
159.11667	32.1
159.12798	3.0
161.09604	6.8
161.13271	8.6
163.11176	6.0
165.07037	8.4
165.09117	13.1
166.07785	4.6
167.08540	12.6
167.10655	59.4
168.09442	9.6
169.10104	34.6
170.10904	9.0
171.11671	32.8
172.12398	2.5
173.09645	6.0
173.13251	27.0
175.11195	7.8
175.14816	9.9
178.07855	3.4
179.08531	14.7
180.09360	6.7
181.10120	18.6
181.12276	6.7
182.10875	10.2
183.11662	32.8
184.12437	7.2
185.09540	2.3
185.13211	16.8
187.11256	3.1
187.14842	6.8
189.12733	6.2
191.08476	2.0
191.14320	8.7
192.09312	4.5
193.10088	13.0
194.10872	13.3
195.11700	29.5
196.12411	7.0
197.13216	19.9
198.14108	2.2
199.14812	21.0
201.16380	7.5
203.14355	8.8
205.10106	4.9
206.10918	7.9
207.11716	19.0
207.13730	3.4
208.12482	6.4
209.13249	27.3
210.13937	4.3
211.14803	8.6
213.12738	3.2
213.16374	3.1
215.14334	5.9
217.10173	5.1
217.15903	12.0
218.10965	3.8
219.11723	5.8
220.12521	7.3
221.13255	15.5
221.15381	22.6
222.13995	3.9
223.14783	14.3
225.12592	2.3
225.16367	8.4
227.14328	2.8
227.17941	3.4
231.11760	5.4
232.12364	4.2
233.13232	12.5
233.15433	18.2
234.13896	4.8
235.14717	11.8
237.16400	8.4
239.17978	5.3
243.11722	3.8
245.13335	8.9
246.13976	4.3
247.14896	9.0
248.15509	2.4
249.16418	7.7
251.17928	4.8
253.19391	2.9
257.13174	4.1
257.18982	4.8
258.14197	2.7
259.14883	6.3
260.15637	4.4
261.16379	8.3
262.17163	3.7
263.17978	8.9
265.19562	7.9
269.19061	3.9
271.14844	3.0
272.15533	3.8
273.16208	3.2
275.17828	10.5
277.19531	3.8
283.14798	3.0
283.20593	12.2
285.18707	3.6
287.17786	3.4
288.18680	2.7
289.19412	5.0
290.20175	3.0
291.20895	2.4
293.18878	2.8
295.20532	4.2
299.20087	3.8
307.20740	2.9
331.24109	3.3
349.25351	8.1
491.35168	2.4
565.40649	13.5
583.41400	68.4
584.41687	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.05502	19.0
57.03428	1.6
57.07063	12.5
59.04979	7.2
63.15098	1.6
65.03933	3.2
67.05494	33.4
69.03426	10.1
69.07065	21.8
70.20420	8.1
70.20815	2.3
71.04987	2.1
77.03931	2.0
79.05481	32.1
81.07049	42.6
83.04963	8.5
83.08604	9.6
85.06530	7.8
89.28791	1.7
91.05469	52.6
91.06039	2.9
93.07032	64.8
95.04972	15.1
95.08590	40.9
97.06505	6.5
97.10155	2.4
103.05434	5.6
104.06249	1.8
105.04490	1.9
105.07019	87.9
107.08583	56.0
109.06498	10.5
109.10149	23.2
115.05399	7.6
116.06230	2.6
117.07009	20.5
119.08566	100.0
121.06499	6.3
121.10128	54.8
123.08064	20.7
123.11681	5.9
125.05975	4.5
125.09605	3.0
128.06190	14.8
129.06976	23.6
130.07796	9.2
131.08551	45.9
133.06519	3.9
133.07613	1.6
133.10110	41.5
135.08038	13.4
135.11684	13.6
137.09601	15.7
139.07469	1.6
139.11137	2.2
141.06987	10.5
142.07776	30.8
143.08540	50.3
143.09628	3.1
144.09279	9.5
145.10107	59.9
147.08028	19.1
147.11647	15.7
149.09615	7.3
149.13216	4.6
151.07558	16.9
151.11208	2.1
152.06206	2.1
153.06940	5.5
153.09178	1.4
154.07800	5.5
155.08557	21.8
156.09338	25.4
157.10114	72.8
157.78700	1.5
158.10898	12.1
159.08052	6.4
159.11673	33.5
161.09630	6.4
161.13235	10.0
163.11172	9.7
165.07062	9.3
165.09096	41.6
166.07762	6.7
167.08560	12.8
167.10646	13.0
168.09331	10.6
169.10106	39.8
170.10883	11.3
171.08080	1.8
171.11673	40.7
171.13057	3.1
173.09671	3.8
173.13234	26.1
173.14578	2.4
174.10373	2.5
175.11157	5.0
175.14821	7.3
179.08521	18.7
180.09328	6.1
181.10104	22.0
181.12253	6.6
182.10915	10.8
183.11665	37.9
184.12506	8.8
185.13254	21.3
187.11174	4.0
187.14772	8.9
189.12691	8.1
191.08600	3.2
191.10637	2.1
191.14323	9.9
192.09361	5.1
193.10101	19.1
194.10892	13.1
195.11674	32.6
196.12529	10.0
197.09558	2.3
197.13251	30.2
197.14891	2.8
199.11168	2.9
199.14813	18.0
201.12839	2.3
201.16365	2.6
203.14267	19.5
204.09317	2.7
205.10144	6.1
205.15869	2.2
206.10844	9.7
207.11699	27.1
207.13811	8.6
208.12395	11.9
209.13245	35.1
209.15211	3.4
210.13951	5.5
211.11267	3.6
211.14790	15.8
212.15547	1.8
213.12752	4.9
213.16318	4.8
215.14311	3.3
217.10147	6.8
217.15842	12.1
218.10887	5.9
219.11682	11.1
220.12425	10.7
221.13263	18.6
221.15384	63.3
222.14037	5.3
223.14760	18.5
224.15591	4.2
225.12677	3.3
225.16315	7.7
227.14481	1.7
229.10136	3.3
229.15860	1.7
230.10941	3.0
231.11699	5.8
231.17432	3.8
232.12422	5.7
233.13252	14.6
233.15390	6.9
234.13995	6.7
235.14894	11.8
236.15700	1.8
237.16428	10.9
239.17934	5.0
241.15849	1.7
243.11792	3.7
243.17355	2.1
244.12527	4.6
245.13235	8.4
246.14008	7.0
247.14815	13.4
247.16969	2.9
248.15553	3.7
249.16388	11.2
250.17099	4.2
251.17931	5.9
253.19426	3.5
255.17470	2.1
257.13275	3.1
257.18979	4.6
258.13931	2.4
259.14578	7.7
260.15552	6.1
261.16354	13.7
262.17084	1.8
263.17892	8.4
265.15689	1.9
265.19568	7.3
267.17349	2.7
269.18982	4.1
271.14716	3.9
271.20459	2.3
273.16342	9.0
274.17181	3.3
275.17819	13.4
277.19373	4.0
279.17493	1.9
279.21088	1.9
281.18887	2.0
283.14771	3.0
283.20486	17.1
284.15494	2.0
285.16168	3.3
287.17661	3.5
287.20453	3.2
289.19489	3.5
291.21005	3.0
293.19046	3.0
295.20609	3.0
297.22177	5.0
301.19394	2.3
303.21115	2.9
307.20511	2.1
312.20938	1.8
315.20856	2.6
317.22629	2.4
325.19397	2.2
331.24216	6.1
333.22079	3.1
349.25220	8.7
353.24585	1.8
361.25140	2.8
375.26865	8.0
403.30017	4.7
491.34976	5.0
503.35263	3.5
547.39258	3.5
565.40466	21.3
583.41425	87.0
584.41779	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
53.51331	1.5
55.01871	1.5
55.05504	13.9
55.36993	1.4
57.07069	8.1
59.04981	2.6
65.03934	4.5
65.55537	1.5
67.05499	19.2
69.03413	5.7
69.07059	17.7
69.42329	15.5
78.24174	1.4
79.05486	21.3
81.07046	28.5
83.04977	7.3
83.08621	8.3
85.06518	5.8
89.55196	1.6
91.05464	38.8
93.07034	48.7
95.04965	10.9
95.08598	35.2
97.06510	6.6
98.21410	2.3
103.05462	3.3
105.07018	59.4
107.04954	1.2
107.08580	47.5
107.09320	2.3
108.41945	1.4
109.06505	8.9
109.10140	20.2
111.08089	2.3
113.09578	1.9
115.05445	4.2
117.07015	12.9
119.08563	68.8
120.09328	1.5
121.06493	3.9
121.09251	2.5
121.10126	49.3
121.10973	2.9
123.08054	13.9
123.11713	5.5
125.05910	2.0
125.09609	4.9
128.06169	9.8
129.06982	12.6
130.07739	6.8
131.08557	30.6
133.06406	3.1
133.10114	38.8
134.10612	1.2
135.08070	7.1
135.11684	19.8
137.09573	7.6
137.13251	1.8
139.11168	3.9
140.22797	1.5
141.06949	7.1
142.07764	16.5
143.08549	37.9
144.09305	6.6
145.10109	46.9
147.08014	9.3
147.11661	12.9
149.09598	10.2
149.13243	5.2
151.07539	11.2
153.06903	3.4
153.09122	1.7
154.07768	1.7
155.08543	15.1
155.10620	2.4
156.09334	13.5
157.10112	46.1
158.10852	6.0
159.08061	4.0
159.11668	25.1
161.09630	4.9
161.13277	6.0
163.11122	7.1
163.14812	1.9
165.06995	6.8
165.09094	14.0
166.07802	2.8
167.08582	9.1
167.10655	37.6
168.09335	7.5
168.11006	1.7
169.10103	26.2
169.11461	1.8
170.10921	9.7
171.11658	27.3
172.12590	2.0
173.09625	3.5
173.13239	24.1
174.13785	1.4
175.11185	2.8
175.14806	12.0
179.08524	11.3
180.09335	4.2
181.10101	17.6
181.12198	6.4
182.10919	7.4
183.11667	27.5
184.12479	3.6
185.13228	16.5
187.11218	2.2
187.14725	7.1
189.12755	8.5
189.16411	1.5
191.08627	1.9
191.14293	8.0
192.09344	5.2
193.10095	15.8
194.10863	11.5
195.11682	22.7
196.12437	6.8
197.09741	1.7
197.11546	2.5
197.13229	20.5
199.14778	14.3
201.12672	2.7
201.16408	3.2
203.14299	7.8
205.10097	3.8
205.15904	1.9
206.10909	6.4
207.11685	15.8
207.13818	8.8
208.12453	6.7
209.13255	25.5
210.14009	3.4
211.14743	12.3
213.12733	3.2
213.16357	3.8
215.14227	3.0
217.10182	3.1
217.15886	9.1
218.10876	2.9
219.11681	7.5
219.17522	1.7
220.12459	5.6
221.13242	17.1
221.15381	30.0
222.13884	3.7
223.14792	15.4
224.15555	2.2
225.12758	2.1
225.16356	7.7
227.14264	3.9
229.10197	2.0
229.15987	2.3
231.11736	4.8
231.17419	2.6
232.12442	3.6
233.13197	10.5
233.15385	14.2
234.14027	4.2
235.14772	11.2
236.15576	2.7
237.12668	1.8
237.16319	9.5
239.17914	4.3
241.15843	2.5
243.11630	3.1
244.12552	3.0
245.13219	8.2
246.14117	5.3
247.14804	9.2
247.17065	3.2
248.15672	3.5
249.16373	9.8
250.17110	2.5
251.14467	1.7
251.17998	5.3
253.15735	2.3
253.19672	2.3
255.17470	2.8
257.13229	2.4
257.19049	5.9
258.14160	2.4
259.14822	5.3
260.15628	5.3
261.16281	8.5
262.17026	2.2
263.14526	1.5
263.17868	8.0
265.19473	10.1
269.13174	1.7
269.19064	6.5
270.14041	2.7
271.14740	1.7
271.20505	1.8
273.16333	6.1
275.17871	13.1
277.19653	2.8
279.17651	2.0
279.20859	2.4
281.18967	3.2
283.15067	1.7
283.20566	13.5
284.15408	2.2
285.16089	2.2
285.18823	2.9
287.17746	3.4
289.19540	4.1
291.17871	1.6
291.21069	2.6
293.19064	1.8
295.20612	2.5
297.16345	2.4
297.22092	3.3
299.20117	4.2
300.20764	3.0
301.19418	3.8
303.20987	3.3
307.20517	2.1
309.22064	1.9
311.20480	2.0
313.19077	1.8
315.21124	2.5
317.22604	2.7
323.23920	1.7
327.20828	2.0
329.22675	2.6
331.24210	5.5
333.22183	1.9
335.23654	3.5
341.22552	1.8
345.25595	1.7
349.25128	6.7
359.23404	2.2
361.25293	3.8
365.24872	1.7
375.26773	2.9
401.28278	2.1
403.30017	5.4
460.60312	1.6
489.33725	1.7
491.34204	2.3
509.34143	3.3
547.39435	4.6
565.40369	22.4
583.41382	100.0
584.41571	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02149	1.2
51.02369	2.5
52.45987	1.3
53.03931	5.0
54.70295	1.2
55.01838	1.8
55.05505	17.6
57.03393	1.1
57.07069	11.0
59.04972	4.6
59.20779	1.3
65.03919	4.1
67.05493	28.7
69.03412	9.2
69.07059	19.9
69.16754	1.4
69.43652	5.8
69.44085	8.4
71.04952	1.4
79.05481	29.8
81.03415	2.0
81.07042	34.9
83.04972	8.9
83.08604	10.0
85.06525	7.2
91.05467	55.9
93.07031	63.0
95.04956	15.3
95.08588	45.2
97.06516	5.2
97.10215	1.8
98.20718	3.1
103.05451	3.9
105.07012	92.3
107.08573	51.0
109.06490	11.8
109.10130	22.1
111.08067	4.0
115.05408	6.8
116.06243	3.4
117.07003	19.6
119.08562	90.1
121.06428	7.4
121.10125	49.8
121.10979	2.9
123.08055	20.8
123.11670	6.6
125.05959	3.3
125.09619	3.7
128.06226	14.8
129.06998	22.3
130.07745	8.5
131.07553	1.4
131.08548	42.2
133.06444	3.8
133.10110	43.1
135.08040	9.4
135.11658	15.9
137.09581	13.5
139.11171	2.1
141.06976	11.0
142.07753	31.4
143.08542	49.8
144.09334	8.9
145.10092	57.5
145.11224	2.9
147.08025	23.3
147.11653	17.8
148.35193	1.3
149.09586	6.9
149.13232	4.9
151.07513	20.4
153.06969	6.9
154.07748	3.7
155.08531	21.3
156.09348	22.2
157.10106	63.1
158.10904	9.7
159.08070	3.5
159.11665	27.1
160.12279	1.8
161.09558	7.8
161.13245	7.6
163.11169	8.3
165.06989	6.2
165.09091	38.1
166.07762	4.8
167.08534	15.3
167.10655	11.6
168.09335	9.7
169.10107	33.4
170.10857	10.3
171.07921	1.7
171.11649	36.8
172.12398	3.1
173.09604	6.0
173.13231	29.4
174.10431	1.8
175.11194	5.1
175.14784	9.4
178.07719	2.0
179.08539	19.9
179.10159	1.9
180.09312	9.0
181.10121	20.7
181.12178	4.9
182.10902	11.3
183.11653	31.8
184.12395	7.1
185.13243	21.8
187.11197	3.8
187.14755	8.1
188.11859	1.9
189.12730	8.2
191.08553	2.4
191.14311	9.8
192.09323	6.0
193.10118	18.2
194.10895	15.6
195.11652	29.1
196.12405	8.5
197.09596	1.9
197.13231	24.4
198.14021	1.4
199.11177	2.3
199.14787	19.7
201.12666	3.1
201.16319	3.5
203.08473	2.3
203.14282	14.2
204.09315	1.8
205.10127	4.8
206.10860	13.0
207.11690	21.7
207.13789	6.7
208.12451	10.0
209.13220	32.2
209.15170	3.0
210.14032	5.9
211.11172	2.6
211.14795	13.3
212.15552	1.7
213.12769	3.1
213.16357	3.9
215.14281	3.1
217.10107	4.1
217.15816	11.3
218.10951	3.8
219.11642	11.5
220.12419	7.1
221.13245	20.4
221.15375	75.8
222.14000	5.1
223.14777	20.5
224.15344	3.2
225.12720	1.7
225.16342	6.1
229.10181	1.9
230.10945	3.6
231.11737	6.5
231.13741	2.0
231.17384	3.0
232.12485	5.6
233.13234	12.3
233.15430	5.1
234.13928	3.3
235.14828	14.4
236.15594	2.1
237.12643	1.7
237.16351	8.7
239.14294	2.1
239.17973	4.7
241.15848	2.6
243.11714	4.0
244.12366	3.4
245.13243	8.9
246.14069	3.6
247.14841	11.6
247.16556	1.7
247.17053	2.6
248.15588	3.1
249.16420	10.7
250.17281	1.7
251.17911	7.1
253.19467	3.4
257.13162	3.6
257.19055	6.1
258.14017	2.7
259.14673	7.3
260.15646	7.3
261.16309	7.5
262.17041	2.9
263.17966	3.8
265.15778	1.7
265.19455	6.8
269.18976	3.9
271.14771	4.4
271.20627	5.3
272.15594	2.9
273.16376	5.4
274.17105	3.2
275.17752	12.7
277.19531	5.4
279.17651	2.2
279.21133	4.1
281.18951	3.2
283.14865	2.0
283.20462	16.3
283.22833	1.4
284.15347	1.6
285.16125	2.3
285.18890	2.0
286.19418	3.2
287.17520	2.2
287.20282	2.6
289.19489	4.9
291.17136	1.4
291.21146	2.7
293.18909	2.8
295.20645	5.6
297.16403	2.4
297.22150	6.2
299.20389	2.2
300.20856	2.6
301.19211	2.4
303.17377	1.6
303.21014	2.8
307.20627	2.3
314.20129	1.6
315.20963	1.8
316.21735	1.9
317.22504	2.1
321.22336	2.4
329.22614	3.0
331.24210	5.2
343.24573	1.7
347.23822	4.5
349.25272	7.5
352.24084	1.7
357.25885	4.5
359.23663	2.4
361.25189	1.8
365.24832	3.7
375.26910	7.5
403.29797	7.7
456.41150	1.4
465.31583	1.6
491.34998	5.1
503.35141	5.8
509.34222	2.9
547.39758	4.2
565.40393	24.1
583.41357	100.0
584.41516	4.4
591.47498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.05501	25.0
57.07058	10.9
59.04960	3.6
65.03921	4.7
65.35085	3.9
67.05498	30.2
69.03403	9.2
69.07053	28.0
69.07362	4.5
69.35487	6.9
69.35895	35.5
79.05473	36.3
81.07034	44.8
83.04963	9.8
83.08597	10.9
85.06518	7.1
91.05457	70.6
93.07021	72.3
95.04932	13.5
95.08586	49.8
97.06517	5.8
97.10142	5.6
103.05445	3.8
103.43864	3.9
105.07006	95.0
107.08567	57.1
109.06497	15.8
109.10126	34.6
111.08006	4.5
115.05453	6.0
116.06213	3.6
117.06982	19.9
119.08562	100.0
120.08923	3.8
121.06450	6.8
121.10127	64.7
123.08032	14.5
123.11693	5.2
125.05947	4.6
125.09615	3.5
128.06187	19.6
129.06958	20.1
130.07787	14.7
131.08556	49.0
133.10109	54.9
135.08020	9.6
135.11655	16.7
137.09561	11.8
141.06964	15.5
142.07755	31.3
143.08533	57.8
144.09291	11.7
145.10095	71.7
147.08015	18.0
147.11658	20.4
149.09610	8.6
149.13223	4.0
151.07529	11.4
153.06970	6.0
155.08559	23.8
156.09332	24.3
157.10109	66.8
158.10832	13.9
159.08017	8.0
159.11679	38.3
161.09567	8.6
161.13231	11.6
163.11151	9.4
165.06992	11.7
165.09085	20.1
166.07692	7.2
167.08511	15.7
167.10620	16.9
168.09317	8.9
169.10106	38.9
170.10847	11.9
171.11642	44.5
173.09697	4.6
173.13203	31.5
175.11143	5.5
175.14806	10.4
179.08540	22.4
180.09294	10.7
181.10115	15.9
181.12173	11.2
182.10867	11.8
183.11668	33.4
184.12401	4.8
185.13216	23.3
187.11105	4.0
187.14746	7.6
189.12720	7.5
191.14259	13.5
192.09297	8.3
193.10092	22.8
194.10873	18.1
195.11674	26.4
196.12460	7.8
197.13249	22.6
199.14769	23.7
203.14262	11.9
205.10121	6.8
206.10925	12.0
207.11662	30.8
207.13686	7.6
208.12410	13.9
209.13216	33.1
211.14790	12.8
213.12672	4.7
213.16348	6.6
217.15865	10.4
218.10680	4.4
219.11684	15.0
220.12386	8.4
221.13188	21.9
221.15329	53.8
223.14796	16.0
224.15578	4.9
225.16336	7.1
230.10818	7.6
231.11624	9.3
232.12445	8.1
233.13191	16.2
233.15240	5.3
233.27583	4.6
235.14732	18.9
237.16351	12.1
239.17764	6.5
243.11690	5.2
245.13177	8.4
246.14023	7.0
247.14735	12.8
249.16331	9.6
251.17973	7.2
257.18973	6.8
259.14755	8.5
260.15594	6.9
261.16306	14.6
263.17902	9.3
265.19489	9.9
269.18982	5.2
273.16284	7.0
275.17874	15.6
277.19440	6.1
281.18991	4.7
283.20505	19.1
287.17477	4.7
289.19589	6.5
295.20575	5.0
301.19086	4.0
331.23959	7.1
349.25241	8.8
375.26865	5.7
376.58279	3.9
403.30020	6.0
474.08154	4.3
491.34546	4.1
501.61276	4.4
503.34979	4.4
565.40302	21.1
583.41443	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54631	0.2
54.02796	0.2
55.05494	0.5
57.03425	0.4
57.55444	0.3
67.05487	0.6
69.07040	0.3
70.06580	0.3
70.21220	0.5
70.21598	1.2
79.05487	0.6
81.03386	0.5
81.07046	0.9
83.08610	0.3
85.02876	0.3
91.05460	0.4
93.07037	0.6
95.04920	0.4
95.08610	0.5
95.85072	0.3
98.20734	0.3
105.07043	0.7
107.08584	0.4
109.10173	0.3
114.44025	0.2
117.06995	0.4
119.08521	0.4
121.10171	0.3
127.44659	0.2
131.08598	0.5
133.10101	0.3
145.10196	0.3
159.11714	0.3
185.04272	0.3
196.63919	0.2
201.03604	0.3
203.05235	1.0
259.07880	1.0
319.03174	0.3
331.09995	0.7
347.21725	0.6
403.24097	0.4
421.25516	1.9
427.19254	0.8
441.20847	2.8
457.20404	0.7
483.21594	0.4
499.21442	11.3
583.30786	100.0
584.31042	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	582.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
55.05498	20.4
57.03439	11.4
57.07072	4.2
57.77382	4.2
59.04964	4.5
62.14429	4.7
66.34727	4.5
67.05497	64.9
67.77349	4.4
69.07053	17.3
70.06580	46.8
71.69918	5.2
72.08138	20.8
78.04675	4.3
79.05476	29.7
81.03404	5.9
81.07045	38.8
83.04971	6.5
83.08582	12.9
84.08124	16.1
85.02879	7.8
86.09694	5.7
91.05454	24.6
93.07020	27.1
95.04948	9.1
95.08574	19.7
97.02890	5.9
97.06514	6.2
97.10149	6.3
100.55110	4.1
103.05437	8.5
105.07018	19.4
107.04944	10.7
107.08548	22.8
109.02831	6.7
109.06510	9.0
109.10126	51.2
111.08044	5.1
119.08540	11.5
121.06493	11.1
121.10109	9.3
125.09641	4.8
127.03878	8.2
129.10237	5.8
131.04893	10.9
131.08545	9.3
133.10095	9.7
135.11607	6.4
137.05983	26.8
145.10094	5.3
147.11642	9.7
149.05904	9.8
149.09648	5.2
149.13232	6.0
151.03886	7.9
155.10603	5.1
159.11647	8.8
161.05963	8.3
163.07474	6.1
163.10989	5.7
167.07013	87.1
168.07365	21.7
173.11678	26.6
177.12798	5.2
181.04912	12.4
181.08623	5.4
191.06943	8.8
193.08539	5.0
209.08055	6.5
217.08585	6.1
229.14320	100.0
257.18973	8.2
269.17407	18.3
275.20026	26.9
349.23709	32.6
354.14169	5.2
367.24628	20.8
554.69031	5.4
583.27002	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	583.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01862	2.5
55.05507	1.7
55.50443	1.1
65.03616	2.1
65.03930	24.7
67.05499	6.4
70.06588	8.8
71.23852	3.1
72.08144	3.4
79.05471	5.6
81.03387	1.7
81.07040	2.2
82.04196	3.6
84.04470	1.6
84.08122	3.2
85.02885	2.6
86.09671	1.2
91.05457	5.6
91.66438	1.1
93.03363	4.2
93.07021	1.7
94.04224	1.2
95.01315	3.3
95.04957	4.6
103.05479	1.8
104.53033	1.2
105.07003	5.8
107.04932	4.9
107.08564	2.2
108.02081	2.8
109.02905	1.0
109.10133	1.3
110.03647	21.6
110.75436	1.4
111.04422	34.6
115.05452	2.1
115.65221	1.0
117.07005	1.2
118.96867	1.2
119.04893	1.3
119.08545	1.2
121.02843	19.0
121.06488	2.4
123.04410	2.2
125.05967	26.1
129.10132	1.2
131.04878	1.9
131.08469	1.2
133.02840	1.5
133.06483	2.5
134.05949	1.4
135.04425	1.6
135.08070	1.3
137.05949	6.1
138.03131	2.0
145.06471	2.1
147.04401	1.6
148.39153	1.1
149.05966	1.5
151.03880	37.5
151.04941	2.5
151.07596	1.8
153.05440	100.0
158.07278	1.3
159.08008	2.9
161.05952	6.8
163.03894	1.7
165.05617	1.5
165.06952	2.5
167.07018	11.3
173.05928	1.4
175.07555	5.1
176.14427	1.3
177.05429	2.3
178.06227	1.4
178.07738	1.5
179.08484	2.0
181.04958	2.7
181.06407	2.7
182.07259	2.0
183.07967	1.6
186.06850	1.2
187.07555	3.1
189.05441	3.1
191.06995	2.8
191.08546	2.4
193.08626	1.9
194.07141	1.6
195.06461	1.8
195.08064	2.7
196.07207	1.2
197.05922	1.7
199.07533	1.4
205.06555	2.2
206.07140	1.5
207.08098	2.3
208.08904	1.7
209.09688	2.0
211.07498	2.8
216.07852	2.5
218.07207	1.4
219.08093	4.1
221.05997	1.8
221.09679	1.3
223.07481	3.7
224.08141	2.0
225.09026	2.6
226.06226	4.8
229.08554	1.8
234.06746	2.5
235.07465	3.2
236.08253	3.5
237.09018	2.7
238.06235	2.1
239.07004	4.9
239.10535	3.0
240.07758	1.4
241.08832	1.7
247.07494	1.6
247.09650	14.2
248.10075	1.5
249.05571	1.6
249.09120	2.6
251.06995	1.6
251.10646	3.2
252.07866	1.5
253.08517	11.3
254.09346	5.1
259.07419	1.8
262.06326	1.9
263.07089	2.1
264.07715	2.5
265.08551	4.0
266.09409	1.6
267.10175	4.0
269.11642	5.8
276.07669	2.1
277.08447	2.0
279.10010	2.8
281.08075	3.0
282.08896	2.5
283.09741	3.4
293.08002	2.2
294.08774	1.7
295.09729	3.3
296.10437	1.6
297.11206	8.7
307.09683	8.6
308.10129	2.1
309.11407	2.1
319.09589	2.2
321.11157	1.7
325.10660	47.9
326.11533	1.5
327.12088	2.7
329.13705	1.3
337.10696	2.1
339.08160	1.9
339.12216	26.7
340.12607	2.0
341.13702	2.0
351.12167	6.3
355.11853	2.5
357.13245	48.1
358.13870	2.3
369.13336	4.7
370.13913	3.1
583.20392	1.6
583.27374	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36871	0.3
53.03928	1.6
55.01868	2.3
65.03930	2.7
67.05488	0.9
70.06569	1.6
70.76434	0.9
70.76809	0.8
75.04475	4.1
77.03912	0.5
78.04692	2.9
79.05482	2.1
81.03397	0.8
81.07025	0.4
84.08128	0.6
85.02893	3.1
86.09681	0.4
89.03892	1.4
89.05993	0.9
89.95815	0.4
91.05466	10.6
93.03394	11.5
93.07026	5.3
95.04957	5.2
97.06513	2.6
103.05457	6.2
105.07043	1.2
106.04157	26.5
107.04929	1.4
108.05717	0.7
109.06501	0.7
111.04413	0.8
117.03342	1.2
118.04172	0.6
119.04926	1.2
121.06490	30.0
122.07251	0.5
123.04403	1.2
123.08044	1.0
124.05206	1.0
125.05104	0.7
125.05965	7.8
131.04903	1.7
132.05667	0.5
133.02861	0.5
133.06459	1.2
134.03613	4.6
135.04410	1.5
135.07951	0.6
137.05960	4.3
138.06735	1.2
139.07526	2.2
145.02806	1.4
147.04349	0.6
148.05165	1.8
149.05956	43.9
150.06389	0.5
151.07491	2.6
152.08301	0.6
153.01793	0.9
153.05440	2.5
153.09085	11.6
154.02141	0.6
161.05972	0.8
162.01282	0.7
163.07520	1.7
165.05469	0.7
166.06219	1.3
167.07045	3.3
168.07436	0.6
177.05441	23.2
180.07726	0.5
181.08571	21.0
182.08852	0.5
190.00780	0.4
191.06993	2.9
193.08586	0.6
209.08060	100.0
210.08331	0.9
223.04224	5.6
223.78596	0.4
251.09105	6.2
269.04514	0.5
277.75079	0.4
287.05499	11.0
287.08643	0.8
288.05795	15.8
288.09058	0.8
289.05811	0.5
312.09018	0.9
369.13303	1.7
401.15741	1.6
450.11490	0.7
455.33960	0.4
582.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.8
53.03935	2.7
53.55550	1.7
55.01849	7.3
55.05489	5.6
57.03419	2.9
65.03939	16.0
67.05495	13.6
67.18572	1.9
69.03394	6.1
69.07038	4.9
70.06598	2.2
71.32030	4.8
71.57687	2.2
78.04700	2.5
79.05492	11.1
79.08828	1.8
81.03396	7.8
81.07034	12.1
82.04182	3.8
83.04919	1.8
83.08566	2.3
85.02903	6.5
90.95998	2.0
91.05461	9.7
93.03367	3.6
93.07036	10.1
95.01324	2.6
95.04935	8.0
95.08595	6.1
97.02892	3.6
97.04739	1.9
97.06533	2.9
102.57551	1.8
103.05422	2.2
105.06997	6.5
107.04932	8.6
107.08556	5.6
108.02046	3.8
109.02876	2.7
109.10138	6.5
110.03651	16.1
111.04427	23.8
115.05428	1.8
117.06981	3.0
119.08550	3.7
121.02873	12.4
121.06457	4.7
121.10128	4.5
123.04423	5.7
124.05173	1.8
125.05998	16.1
127.03918	3.4
129.06931	2.5
131.04907	3.1
131.08611	4.5
133.02831	4.7
133.06561	2.2
133.10106	2.7
135.04390	3.6
135.11671	4.2
137.05949	10.6
143.08557	2.2
145.06392	2.4
145.10074	4.7
147.04483	2.6
147.08006	2.5
149.05972	2.5
149.09561	2.6
151.03888	50.8
151.04990	2.9
153.05446	70.4
156.05673	2.3
159.08109	2.2
159.11607	2.2
161.05972	2.5
163.03830	3.0
163.11197	2.6
165.05519	3.4
165.06952	2.8
167.07022	84.3
173.05911	3.5
173.11841	1.9
174.06693	2.3
175.07532	2.8
177.05492	3.7
178.06239	4.4
178.07632	3.7
181.05023	3.7
181.06447	5.6
192.95454	2.2
194.07155	2.5
195.06454	2.2
203.06938	2.8
203.08623	2.3
206.07249	6.2
207.08032	5.9
209.06081	2.3
211.07523	2.4
217.08466	2.0
218.07274	4.2
219.08054	3.4
221.09563	2.8
223.07565	4.5
224.08260	5.7
229.14308	2.3
230.14615	3.0
234.06691	5.5
235.07533	6.0
236.08202	4.0
237.05379	2.2
237.09157	3.2
239.10803	3.1
240.12640	1.9
240.48709	1.9
245.08052	11.2
249.05559	2.6
249.09100	6.1
251.06946	5.0
252.07793	21.1
253.08661	3.7
262.06235	2.2
263.06940	3.5
264.07849	5.7
265.08536	5.7
266.09286	4.4
267.10056	11.7
274.18768	3.4
277.08502	4.5
279.06400	3.0
280.07254	7.4
281.08044	5.2
290.05847	2.4
292.07272	2.6
293.08105	3.2
295.09601	15.6
296.10364	2.2
297.21912	2.3
307.09698	2.8
308.63083	2.1
309.11151	2.3
319.09830	2.7
322.08475	2.1
323.09085	74.0
324.09387	2.4
325.10550	2.4
327.11975	2.4
335.08990	2.3
337.10583	3.9
341.13773	6.4
353.09894	3.8
353.13623	4.7
355.11710	100.0
356.12018	2.8
365.23029	3.6
366.23651	3.5
367.11682	7.9
371.14767	3.9
383.24271	3.2
384.24557	4.5
385.12521	2.4
494.17157	2.3
500.06830	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	580.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.05492	13.7
57.03415	2.8
60.26733	1.7
61.02912	3.8
65.03927	4.4
67.05495	31.8
69.03425	9.9
69.07055	10.9
70.06569	5.6
70.89944	5.4
71.04965	4.7
73.02906	2.9
76.81414	1.7
78.18108	1.8
79.05483	21.8
81.03401	5.5
81.07043	66.7
83.04963	3.1
83.08600	3.1
85.02896	38.9
86.09666	4.4
87.04458	2.0
91.03940	3.2
91.05466	24.4
91.45596	1.9
93.07032	44.3
95.04952	6.4
95.08591	77.7
97.02888	12.3
97.10145	5.6
103.05428	3.4
105.07011	67.2
107.08575	63.7
108.08101	1.8
109.02866	4.6
109.06530	3.2
109.10138	58.6
111.08044	2.8
117.06969	2.8
119.08569	43.8
121.10151	20.3
123.04369	4.0
123.11695	13.0
125.09608	4.1
127.03899	9.1
133.10104	27.0
135.11687	14.7
137.05965	4.1
145.04898	12.5
145.10121	4.2
147.11665	50.1
149.05946	2.1
149.13222	4.4
151.03847	2.5
151.11176	6.9
161.13219	20.6
163.05997	5.8
163.14784	15.1
167.07010	36.0
167.08360	3.3
175.14825	8.4
181.08495	2.0
193.08540	3.3
201.00746	2.3
201.16313	1.8
203.17921	100.0
208.06801	1.9
221.19002	8.2
227.12834	2.6
234.10602	1.9
278.09042	2.6
295.71582	2.0
320.95825	2.0
353.13669	2.8
406.06839	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	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01861	7.5
55.05503	27.4
57.03427	14.5
61.02923	6.0
67.05491	46.3
69.03423	8.6
69.07056	29.5
70.06541	3.7
70.48818	8.5
70.49238	11.4
71.04979	8.7
72.74248	3.0
73.02902	4.2
74.09715	3.3
79.05483	41.2
79.29804	3.3
81.03413	15.2
81.06602	6.1
81.07043	68.4
82.83207	3.3
83.04961	9.8
83.08617	20.5
85.02899	5.7
91.03950	3.8
91.05473	27.5
93.07031	36.9
95.04950	15.4
95.08590	19.4
97.02877	6.6
97.06518	35.6
97.10165	21.4
99.08090	4.8
100.11231	4.3
105.07002	25.1
107.04935	12.6
107.08606	25.2
109.06494	16.4
109.10146	10.4
111.04437	8.4
111.08077	6.8
115.07548	11.4
117.07007	15.3
119.08553	22.1
121.06466	6.9
121.10140	15.7
123.08049	18.6
125.09620	17.5
129.07011	7.8
130.96799	3.6
131.08554	14.9
133.06453	7.1
133.10130	15.2
135.08052	4.8
135.11664	9.8
137.09554	5.1
143.08487	8.2
145.10124	15.5
147.08060	8.9
147.11685	9.3
149.09587	6.2
153.12627	3.5
157.10091	7.4
158.95854	3.3
159.08032	4.4
159.11694	10.7
161.09654	8.4
163.11160	15.0
167.07008	12.2
167.29115	3.5
171.11626	4.7
175.11105	7.6
177.12770	5.4
189.11151	17.1
191.10614	4.7
217.15878	6.7
223.13367	4.7
224.29390	3.8
227.12758	12.8
245.19029	9.3
249.14735	4.0
257.04211	3.6
259.00302	4.2
269.17490	22.3
273.18411	34.2
283.15192	3.6
291.19519	87.4
309.20615	8.0
347.22232	9.3
365.23169	100.0
383.24194	53.4
390.38870	3.7
475.31247	3.9
537.40088	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	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.3
55.01851	11.6
55.05499	30.6
57.03414	28.9
57.24550	7.0
61.02916	9.9
67.05488	74.5
69.03394	16.7
69.07051	69.1
70.06566	6.7
71.04973	20.7
71.08627	17.8
73.02890	11.1
79.05469	69.2
81.03381	24.2
81.07049	88.2
83.04971	21.8
83.08595	13.9
85.02869	12.7
91.03941	8.7
91.05451	55.2
93.07027	77.7
95.04939	27.4
95.08575	31.1
97.02891	10.2
97.06516	77.3
97.10138	21.4
105.07021	38.4
107.04939	13.6
107.08569	41.5
109.02819	6.4
109.06480	17.7
109.10165	10.3
111.04388	10.5
111.08097	7.8
115.07565	31.8
117.06987	21.6
119.08584	47.0
121.06460	10.6
121.10096	13.3
123.08029	21.2
125.09607	19.9
129.06958	11.0
131.07010	7.5
131.08490	30.0
133.10117	21.3
135.08038	21.8
135.11679	12.1
143.08545	11.5
145.06512	9.5
145.10100	20.3
147.08026	21.3
147.11694	8.0
149.09590	12.2
149.13329	10.1
149.42174	5.8
151.11079	7.0
151.96217	6.7
157.10080	14.3
159.08041	8.4
159.11690	18.7
161.09612	13.9
163.11191	17.6
165.09108	9.0
173.09586	8.7
175.11156	13.3
177.12828	14.1
189.11208	15.4
193.12309	7.3
217.15825	18.7
233.15349	11.6
233.70848	6.3
245.18959	8.2
255.17508	13.2
269.17432	43.1
273.18469	67.1
291.19455	70.8
309.20486	9.0
315.76682	6.5
347.22061	22.7
365.23083	87.7
383.24155	100.0
388.73291	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	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01856	5.4
55.05496	16.8
57.07059	3.7
67.05495	38.5
69.07050	21.5
69.75399	20.8
74.67554	2.9
79.05482	16.0
81.07045	64.3
83.08596	7.6
85.02890	9.0
85.06530	14.5
91.05466	28.0
93.07029	100.0
95.04953	6.6
95.08593	72.2
96.96818	2.7
97.02981	2.3
97.10121	4.3
103.05456	3.3
105.06333	6.1
105.07014	76.4
107.08570	61.1
109.10140	92.2
111.08086	16.0
113.53333	2.7
117.06987	3.3
119.08572	53.4
121.10130	35.5
123.11716	17.4
125.09618	4.7
127.03902	3.5
131.08575	4.1
133.10109	33.0
135.11681	50.6
145.04919	4.0
145.10104	3.6
147.11665	71.3
149.13261	4.2
161.01160	3.0
161.13220	21.5
163.05949	2.7
163.11153	3.5
163.14799	4.2
165.12778	6.3
167.07031	11.7
175.14836	6.4
203.17921	85.5
209.12500	2.7
221.19029	6.2
253.36732	2.9
394.42856	2.8
517.19440	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	579.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65586	1.2
52.32350	1.2
53.03932	2.7
55.01865	3.6
55.05502	10.1
57.03427	6.4
57.07058	2.8
58.35999	1.2
65.03928	2.4
67.05493	64.0
67.42925	1.2
69.03412	4.1
69.07058	10.9
69.38586	11.7
69.38998	3.1
70.13719	1.2
71.04970	2.1
73.02898	3.5
79.05022	1.7
79.05479	36.2
81.03400	6.4
81.07041	76.3
83.04962	3.7
83.08618	7.9
85.02896	3.5
85.06512	1.4
91.05466	21.8
93.07028	48.0
95.04963	5.3
95.08593	53.1
97.02892	2.0
97.06518	3.7
97.10174	3.2
99.04438	3.8
99.08080	2.0
99.52223	1.3
105.07006	17.4
107.07905	2.4
107.08583	31.2
109.02867	5.3
109.06517	1.7
109.10143	33.4
110.03642	3.5
111.04451	4.5
111.08084	1.6
117.06985	10.3
119.08577	13.8
121.10123	27.9
123.08047	1.3
123.11679	17.8
127.03907	3.8
129.07002	2.2
131.08560	18.1
133.10121	14.1
135.08011	1.8
135.11665	22.6
137.09601	1.6
137.13245	6.3
141.51872	1.1
141.98282	1.1
143.08498	1.6
145.10114	16.3
147.11656	11.6
149.09602	1.5
149.13208	15.0
151.11163	2.1
151.14807	2.8
157.10052	1.5
159.11716	12.7
161.13220	8.7
163.11153	1.8
163.14806	11.2
165.12769	2.2
171.11729	2.1
173.13225	14.9
175.14825	4.2
177.12704	2.9
177.16400	6.3
179.14301	2.3
182.07228	1.3
183.11610	1.4
185.32941	1.3
187.14758	6.2
191.00038	4.0
191.14363	2.0
201.16345	3.9
212.48552	1.4
233.22639	2.6
243.21048	24.1
244.03879	1.5
261.22107	100.0
262.22409	1.4
279.23267	3.2
285.22067	1.2
303.22974	2.3
317.24469	1.3
335.25797	20.2
348.95883	1.2
353.26825	65.0
354.27264	2.0
369.24323	3.0
451.21329	3.9
561.26917	5.4
561.37109	2.4
579.38159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76513	1.8
53.03959	1.7
55.05482	4.1
57.03413	6.3
61.02907	1.7
62.09177	1.4
65.00330	1.4
66.29136	1.3
69.03408	6.2
69.07068	2.5
70.04977	3.6
70.05389	7.9
70.06573	7.5
71.04953	2.8
72.08146	2.3
79.05462	4.0
81.03404	3.3
81.07047	9.9
83.31776	1.7
84.08123	3.3
85.02888	9.2
86.09679	6.4
88.03957	1.7
91.05456	4.3
93.07029	2.7
95.04948	2.3
95.08589	3.8
96.08086	1.9
97.02882	13.0
99.08071	5.0
100.11173	1.5
105.07004	4.3
106.06521	1.7
107.04945	3.3
107.08598	3.7
109.10124	2.3
119.04967	2.2
120.08090	3.1
121.06474	2.7
123.04427	2.1
124.07573	4.5
127.03864	5.0
129.07022	1.6
133.10170	1.6
133.46161	1.6
137.05972	3.8
147.04404	2.5
162.09154	3.9
166.05002	9.5
167.07024	21.0
176.03413	2.9
177.05380	2.4
178.05022	2.1
178.15884	1.6
180.13835	2.9
187.07333	2.2
199.08646	3.7
201.12350	3.6
202.12366	1.8
204.13840	11.7
206.15356	19.9
207.06531	2.2
212.09435	2.1
213.10097	1.7
222.14815	2.9
227.11746	6.0
228.10175	2.5
229.11771	2.9
240.08827	3.4
241.09750	3.2
242.10266	2.3
243.07692	1.8
253.09576	1.9
255.11301	8.7
257.04572	3.3
257.09042	5.3
269.09253	2.0
270.09985	2.9
271.46848	1.4
273.03891	2.5
273.12231	3.2
283.10733	100.0
284.11133	2.2
285.03668	2.6
285.12167	2.3
287.10181	9.8
288.11020	3.6
299.05521	2.0
300.15540	2.5
301.11829	65.6
301.15408	4.5
302.04321	3.6
303.04971	3.3
313.06915	2.5
319.09195	3.4
319.12842	57.0
319.16574	2.9
320.13153	1.8
329.11221	19.1
339.17209	2.4
357.18045	9.5
369.05933	2.3
369.13217	2.2
399.19061	46.0
417.20142	77.4
547.19360	2.4
579.21808	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44376	0.3
55.01836	1.2
55.05500	6.4
57.03402	0.8
57.07038	0.5
59.04951	0.5
67.05494	3.8
69.03379	1.4
69.07060	19.6
69.54224	2.3
69.54646	1.5
70.06555	1.0
71.04939	1.4
73.06512	0.7
79.05473	5.0
81.03399	0.9
81.07047	7.4
83.04967	2.2
83.08598	0.7
84.08088	0.5
85.02892	4.7
86.09680	0.4
91.05444	1.3
93.07026	10.6
95.04964	0.5
95.08591	4.2
96.74823	0.4
97.02837	1.9
97.03393	0.3
97.06518	4.2
97.10155	4.1
98.20709	0.8
101.05953	0.7
105.07000	0.6
107.01235	0.6
107.04935	0.4
109.02814	1.3
111.11707	0.9
121.09386	0.5
121.10120	5.8
127.03858	1.6
136.67950	0.5
139.11160	11.0
141.36568	0.4
145.04889	0.6
155.04834	1.7
157.12221	8.5
166.04993	0.4
167.07014	2.0
173.05910	0.4
175.13283	0.5
181.71835	0.4
183.04349	1.7
185.35352	0.4
187.03975	0.4
201.05409	1.9
205.08723	0.6
211.03860	5.0
219.02823	1.0
225.05469	1.4
229.04958	4.9
239.03311	1.7
245.04387	0.6
253.05013	0.5
256.03632	0.9
257.04413	51.3
258.04721	1.0
260.03122	1.8
261.03867	4.9
263.01837	0.9
267.02869	3.0
271.05975	3.7
273.03888	23.4
274.04666	3.3
275.05264	0.5
281.04434	0.9
283.10818	0.8
285.03891	100.0
286.04236	1.8
287.01990	0.8
287.05466	0.9
295.05966	1.0
297.03900	2.1
299.02164	0.8
299.05414	7.7
300.05762	0.5
301.16287	0.7
303.04947	62.0
304.05228	1.7
311.05405	0.9
313.06964	1.0
315.04980	0.8
317.06445	0.5
319.13016	0.4
319.17453	2.2
323.05484	1.4
325.03329	0.5
327.04935	10.8
327.08423	0.4
339.04962	3.5
351.04880	2.0
357.06085	1.8
369.06061	8.2
387.07043	3.6
405.08173	4.1
417.20197	0.8
423.09378	0.6
459.16458	10.6
561.19470	1.2
579.20563	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.7
55.01830	1.5
55.05503	16.5
56.57605	0.3
61.02887	0.5
67.05452	1.4
69.03362	1.3
69.07059	9.1
70.06551	0.6
71.70821	0.5
73.02886	0.4
79.05465	0.8
79.97308	0.3
81.03348	1.0
81.07013	0.4
83.08606	36.4
84.08914	0.5
85.02914	1.7
85.03313	0.3
87.08049	1.2
91.05430	1.0
93.07022	1.7
95.04893	0.3
95.08539	0.7
97.02839	0.6
97.06517	0.4
99.04417	0.4
102.47537	0.3
103.03842	0.5
103.05426	0.7
106.78836	0.3
107.01221	0.4
109.02820	1.0
109.06483	0.4
111.08063	10.4
121.02841	0.5
121.06434	0.7
123.04365	0.4
127.03863	1.5
129.09138	2.0
137.05934	0.5
139.07477	1.3
145.04982	0.4
153.01704	0.5
155.04811	1.1
157.08582	4.2
175.09636	25.6
176.09885	0.4
183.04376	1.3
186.33766	0.4
201.05380	1.9
211.03859	6.4
212.04185	0.4
217.04927	0.6
219.02927	0.8
221.06024	0.4
223.09557	0.4
225.05359	0.9
229.04909	4.8
239.03325	1.5
240.38063	0.4
241.10721	0.6
243.02806	0.4
253.04947	0.9
256.03607	1.1
257.04410	46.0
258.04761	1.3
260.03189	1.8
261.03912	5.5
263.01779	0.6
267.02841	3.1
271.05975	7.4
271.08987	0.4
273.03891	21.9
274.04556	2.8
275.05530	0.5
281.04376	1.0
283.05942	0.9
283.11676	0.7
284.06406	0.4
285.03894	100.0
286.04279	2.4
286.06985	0.5
287.01797	0.6
287.05219	0.8
289.03323	0.7
295.05981	0.9
297.03833	2.4
298.04889	0.6
299.02136	0.4
299.05457	6.3
301.03345	0.5
301.12772	2.0
303.04950	59.4
304.05432	1.2
309.72400	0.4
310.08063	0.5
311.05545	1.1
313.06931	1.8
314.07413	0.6
315.07916	0.7
319.13843	2.3
323.05362	0.9
327.04929	11.3
339.04886	3.1
339.08301	0.4
341.06134	0.7
351.04892	2.3
357.05807	1.9
367.11404	0.4
369.05966	6.6
370.05682	0.4
387.06982	4.2
405.08047	4.4
423.10300	0.6
441.11884	1.4
459.12784	13.8
505.23459	0.4
561.15997	1.2
573.07501	0.4
579.17084	3.0
579.27026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02369	1.0
55.01857	1.6
58.54374	0.8
65.03924	1.5
67.05483	2.1
68.99767	3.9
70.06596	5.8
70.33798	2.5
71.04969	1.3
72.08154	1.8
76.25627	0.8
77.03928	1.0
78.65971	0.7
79.05466	1.2
81.03397	1.8
85.02900	2.8
85.07664	1.0
89.03880	1.2
91.05450	2.2
93.03403	1.3
95.04924	2.2
97.02884	1.7
98.20731	0.9
99.04447	1.3
105.03383	1.9
107.04947	3.5
109.02851	2.2
111.00784	2.5
111.04446	3.1
115.05454	0.9
117.03413	0.8
119.04940	4.8
120.08050	0.8
121.02858	1.8
123.04414	100.0
124.04770	0.7
126.10238	1.1
127.03899	66.5
131.04912	2.4
133.06459	0.9
135.04395	23.3
137.02327	2.5
137.05917	1.2
139.03883	32.9
141.06909	1.1
143.04872	1.2
147.04375	15.6
149.02310	2.3
149.05978	1.6
151.03874	5.0
157.06476	1.0
159.04408	2.4
161.05959	5.0
163.03888	29.3
165.05463	11.7
167.03369	4.3
167.07127	1.1
169.04958	0.9
171.04362	0.9
173.05949	4.0
175.03923	2.7
177.05461	3.3
179.03375	5.4
179.06996	1.3
181.04941	2.4
181.06442	1.3
185.05984	1.7
187.03867	5.2
187.07643	0.8
189.05452	4.4
191.03360	6.1
193.04939	7.8
197.05952	1.7
201.05475	5.4
203.03369	11.3
203.07018	1.6
205.04956	1.9
207.06491	2.1
213.05423	2.6
214.95923	0.7
215.03322	1.2
215.07069	1.8
217.04971	3.4
219.06519	0.9
229.05002	7.3
230.05627	1.2
231.06386	1.1
233.04442	2.1
241.04994	3.5
243.06483	4.4
245.04453	14.6
247.05983	15.0
251.72882	0.8
253.05029	1.2
255.06543	4.0
257.04419	19.4
258.05161	2.5
259.05951	3.9
267.06631	1.0
269.04425	2.1
271.05954	15.7
273.03885	1.4
273.07556	2.3
275.05444	14.1
279.13474	1.8
280.13629	0.9
283.05969	9.3
285.04010	2.1
285.07562	2.6
287.05472	39.9
289.07013	7.9
291.08582	10.9
295.05927	1.1
299.05450	11.8
299.08652	0.6
301.07037	9.2
303.04959	2.7
303.08588	3.7
311.05240	1.0
313.07050	3.1
333.09497	1.6
367.07956	0.8
379.08160	1.3
391.08002	1.1
409.09143	36.9
411.10638	3.3
415.10001	0.9
421.09198	2.5
427.10260	4.9
433.11255	1.1
435.10916	5.8
439.09995	4.4
451.09967	0.9
453.11829	1.7
453.33902	0.8
459.21725	0.7
490.69403	0.8
588.70007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1487
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03938	1.0
55.01861	1.7
65.03931	0.8
67.01862	0.6
67.05505	1.0
68.99777	4.6
70.06564	1.3
71.70605	0.6
72.08182	0.5
73.44520	0.4
79.05472	0.7
81.03400	2.8
83.04972	0.7
89.03922	0.7
91.05391	0.5
95.04960	1.6
99.04448	1.4
103.05452	1.2
105.03394	0.9
107.04935	3.8
109.02876	3.3
111.00777	2.6
111.04429	3.8
117.03351	1.0
119.04919	1.5
121.02868	1.9
123.04414	44.8
127.03898	100.0
128.04234	1.0
129.07071	0.6
131.04913	2.3
135.04396	31.5
137.02350	3.2
137.03210	0.5
137.05974	0.8
139.03882	50.5
141.06985	0.6
143.04900	1.1
145.06485	1.1
147.04379	6.9
149.02344	3.6
149.05968	1.8
150.03012	0.5
151.03885	6.7
151.07332	0.5
155.04874	0.6
159.04414	3.3
161.05969	3.6
163.03886	34.5
165.01865	0.5
165.05458	6.8
166.53909	0.5
167.03381	8.3
167.07095	0.7
169.06459	1.6
173.05946	3.4
175.03891	4.8
177.05450	4.0
179.03351	4.4
181.05026	0.6
181.06448	0.6
183.04375	1.2
185.05992	1.3
187.03831	6.4
187.07530	0.9
189.05472	2.1
191.03381	11.4
193.04930	4.3
197.05940	2.4
201.05429	5.5
203.03375	9.5
203.07040	1.5
205.04985	2.9
207.06450	1.0
213.05417	2.0
215.03374	2.1
215.06999	3.2
217.04919	2.2
219.06522	0.8
225.05450	1.4
227.06996	0.8
229.04930	6.3
231.06526	1.8
233.04396	5.3
237.05402	0.5
241.04938	1.1
243.06497	4.9
245.04454	5.9
247.05998	15.4
251.05531	1.8
253.04955	1.2
255.06577	1.7
257.04422	9.8
258.05270	0.9
259.06021	9.3
261.07690	0.7
269.04523	2.4
271.05981	17.6
273.07629	1.3
275.05469	14.4
275.08316	0.9
275.28900	0.5
283.05978	6.5
285.03940	1.0
285.07266	0.6
287.05463	23.4
289.07007	11.7
291.08569	11.5
297.07364	0.5
299.05478	3.4
301.07010	12.4
303.08640	1.8
311.05518	1.1
313.06891	0.5
357.43045	0.5
391.07901	0.6
409.09140	24.3
411.10754	3.5
413.99805	0.6
421.08829	1.0
427.10181	6.2
435.10855	1.1
439.10315	0.6
579.16309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1485
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
51.02348	0.6
53.03933	1.0
55.01862	0.9
57.86937	0.7
65.03932	1.3
67.05482	0.8
68.99776	5.6
70.06576	1.1
71.69712	0.7
79.05480	0.9
81.03384	3.1
84.04554	0.7
85.02884	0.8
95.04919	1.5
97.13197	0.6
99.04434	1.2
103.05450	0.8
105.03392	0.9
107.04929	3.0
109.02858	2.8
111.00783	2.5
111.04431	3.0
115.05389	0.7
117.03355	0.6
119.04954	1.1
121.02856	1.5
123.04411	43.3
124.50386	0.6
127.03895	100.0
129.21791	0.6
131.04909	1.9
135.04390	29.1
137.02312	2.5
137.06023	0.8
139.03879	48.5
140.04274	0.6
141.07019	0.7
143.04890	0.9
145.06438	0.8
145.33945	0.6
147.04395	7.0
148.01028	0.7
149.02330	4.0
149.05945	2.2
149.82109	0.6
151.03871	7.7
153.06934	0.7
155.64514	0.6
157.06389	0.6
159.04404	3.6
159.74501	0.5
161.05946	3.5
163.03882	31.6
164.04422	0.7
165.05469	5.4
167.03380	7.4
167.07033	1.1
168.38542	0.6
169.06447	1.4
173.05922	3.3
175.03911	3.7
177.05412	3.7
179.03383	3.6
181.04918	0.8
181.06395	0.8
185.06020	1.5
187.03822	6.2
188.45233	0.6
189.05493	2.5
191.03363	11.3
193.04933	2.4
197.05904	3.5
201.05434	5.6
203.03380	8.2
203.06972	1.7
205.04941	2.6
207.06570	1.0
213.05438	1.5
215.03436	1.7
215.06960	2.9
217.04958	1.5
225.05412	1.2
229.04938	8.0
231.06615	1.4
233.04399	5.3
237.05576	1.1
241.04985	1.3
243.06467	4.5
245.04355	6.8
247.05998	13.2
251.05367	1.3
253.04999	1.0
255.06444	1.6
257.04419	9.8
258.05118	1.1
259.05981	9.7
261.07703	0.8
269.04425	2.6
271.05960	15.9
273.04065	0.6
273.07779	1.3
275.05447	14.7
283.05994	6.8
285.03915	1.3
287.05463	22.2
289.07025	11.2
291.05453	1.3
291.08582	12.4
297.07574	0.8
299.05386	3.5
301.07007	10.6
303.08566	1.3
409.09149	18.4
411.10526	2.5
421.08990	1.2
427.10272	6.0
435.10504	0.8
579.20630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1334
Annotation	1,3-Dihydroxy-2-carbomethoxy-9,10-anthraquinone 3-O-beta-primeveroside
Peak:m/z	Relative Intensity
50.67079	0.3
53.03933	0.7
55.01860	1.6
55.05502	13.5
57.03429	0.6
65.03931	3.1
66.50702	0.3
67.01855	1.4
67.05472	1.5
67.12459	0.3
68.99782	0.8
69.03419	11.3
70.06583	0.7
71.69431	0.4
73.02906	0.5
78.54002	0.3
80.49454	0.3
81.03436	0.7
83.04967	58.9
84.05302	0.5
84.08139	0.3
85.02885	1.6
91.05467	0.3
93.03397	2.6
95.04935	0.4
97.02883	1.2
103.03935	0.4
107.01321	0.7
109.02834	0.6
111.04425	23.1
116.07032	0.5
120.08082	0.6
121.02855	7.9
122.03191	1.3
123.04423	1.3
127.03904	3.9
129.05412	0.7
135.04340	1.5
139.03879	11.1
145.05058	0.4
145.06406	0.4
149.05959	0.4
151.03893	0.9
153.01758	0.4
155.04921	1.5
157.04941	9.0
163.03891	1.5
164.04254	0.5
173.05957	0.4
177.05486	0.7
181.04948	0.9
183.04408	1.4
187.03918	0.7
193.41505	0.4
194.42326	0.4
201.05463	1.8
205.04964	0.7
205.73395	0.3
206.05313	0.4
211.03874	5.7
217.05017	0.3
218.51889	0.3
219.02921	0.5
225.05489	0.7
229.04919	3.9
239.03391	0.9
243.03029	0.6
245.04443	0.9
247.05969	0.9
255.02756	0.4
256.03662	1.0
257.04416	38.4
258.04779	0.6
259.05850	0.3
261.03909	4.4
267.02881	2.0
267.06213	0.4
271.03391	0.3
271.06024	2.3
273.03900	15.9
273.09784	0.6
274.04523	0.7
277.01666	0.3
283.08133	0.4
285.03888	100.0
286.04227	2.1
287.02005	0.5
287.05432	1.2
295.05969	0.7
297.03937	1.4
299.02133	0.6
299.05322	4.4
301.03278	0.9
301.06247	0.4
301.09296	1.0
303.04926	5.9
311.05328	0.5
313.06985	1.0
319.10156	5.1
323.05481	0.7
327.01443	0.5
327.04941	7.3
331.06061	0.7
339.04861	2.3
344.08496	0.4
349.06876	0.5
351.04852	1.6
357.06027	1.0
368.08133	0.5
369.06012	4.6
377.06488	0.9
387.07150	2.1
398.09344	0.5
405.08383	2.9
409.09335	0.7
423.07367	1.1
441.08035	3.4
446.11374	1.4
459.09174	12.5
464.12845	1.0
525.09766	0.5
543.11206	0.5
561.12164	1.8
579.12726	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	578.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77452	1.0
53.03929	2.3
55.01850	3.4
55.05505	13.1
57.03427	5.4
57.07053	2.2
59.04993	1.5
61.02920	2.8
65.03934	1.8
67.05138	1.5
67.05493	24.7
67.79452	1.1
69.03414	2.8
69.07062	11.6
71.04988	7.9
71.08661	1.3
73.02927	1.4
79.05482	28.0
81.03407	6.5
81.07045	58.1
83.04974	4.0
83.08610	11.7
85.02882	3.6
85.06545	2.5
91.05459	18.8
93.07034	20.4
95.04943	8.2
95.08600	17.3
97.06522	4.9
97.10150	2.1
98.20650	2.6
99.08094	1.8
100.04838	1.1
105.07015	18.0
107.04921	6.8
107.08575	13.8
108.08981	1.1
108.77131	1.0
109.02843	2.6
109.06503	24.9
109.10145	6.7
111.04422	4.3
111.08067	4.1
117.06997	4.8
119.08563	16.1
121.06509	4.8
121.10125	12.1
123.08054	5.7
123.11654	5.0
125.09576	2.9
127.03903	1.9
129.06993	2.1
131.08546	10.9
133.10103	11.2
135.08047	2.8
135.11671	6.8
137.09601	3.1
143.08443	1.8
145.10097	8.0
147.07954	1.3
147.11685	11.2
149.02336	15.8
149.09592	7.2
149.13228	5.8
150.02673	5.5
151.11215	2.3
155.08501	1.5
157.10081	2.5
159.08018	1.2
159.11671	6.8
161.09558	1.7
161.13272	2.8
163.11140	6.8
163.14804	2.5
165.12720	3.8
171.11629	2.5
173.13246	3.5
175.11159	2.0
175.14880	1.8
177.12764	1.7
179.14296	3.1
180.14601	1.7
183.11703	1.8
187.11081	1.2
187.14789	1.3
191.14299	1.4
193.04921	5.7
193.12184	2.5
194.05347	4.0
239.17899	1.9
247.20526	3.1
257.19037	5.2
275.20013	55.3
276.20316	2.3
277.21564	2.4
278.22043	1.9
293.20966	3.9
307.22687	4.1
349.23688	100.0
350.24020	1.7
352.24991	1.5
367.24725	15.1
381.26260	18.4
386.09525	2.7
419.24506	1.2
437.25067	2.1
481.86169	1.3
578.13562	11.6
578.38141	1.4
579.14099	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	578.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
54.58987	0.9
54.95939	0.8
55.01868	4.5
55.05502	11.6
57.03421	4.7
57.07057	1.1
57.90601	0.9
61.02913	2.5
65.03928	1.1
67.05495	18.0
69.03409	1.7
69.07060	8.3
69.85239	6.0
71.04977	6.9
71.05315	0.9
75.85453	0.9
79.05479	21.5
81.03394	3.5
81.07044	56.0
82.07349	1.0
83.04967	3.5
83.08614	8.8
85.02873	2.4
85.06529	1.4
91.05461	16.5
93.07031	19.1
95.04961	4.3
95.08582	14.5
97.02859	1.3
97.06521	3.9
99.08054	2.0
105.07010	17.8
107.04935	6.1
107.08578	12.0
109.06503	24.4
109.10139	5.1
110.29451	0.8
111.04425	3.3
111.08038	2.4
117.07004	5.2
117.86052	1.1
119.08556	14.6
121.06464	4.2
121.10120	8.6
123.08037	3.6
123.11668	2.7
125.09630	1.5
129.06973	1.5
131.08542	7.8
133.10106	10.6
135.08023	2.3
135.11639	4.3
137.09592	2.8
137.13254	1.2
145.10110	8.7
147.08118	1.1
147.11635	8.6
149.09625	6.1
149.13232	4.1
151.11195	1.6
157.10066	2.6
159.11613	4.9
161.13249	2.1
163.11157	4.8
163.14769	1.5
165.12781	2.5
171.11644	2.1
173.09637	1.6
173.13263	2.5
174.84824	0.9
175.11145	2.5
175.14832	1.1
183.11649	1.7
187.14676	1.0
193.12254	1.5
197.13281	1.2
204.14491	0.9
215.18077	1.0
229.19543	1.7
239.17979	1.5
247.20526	3.1
257.18921	2.6
269.17453	1.0
275.20004	34.3
276.20303	1.5
293.21100	3.4
307.22629	4.1
349.23676	100.0
350.23969	1.9
367.24945	6.0
381.26279	35.6
468.21274	1.0
560.36353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.6
55.01868	17.1
55.05239	2.3
55.05503	38.3
57.03436	12.8
57.07057	1.9
59.49702	1.6
65.03922	3.3
67.05492	87.3
69.03410	10.8
69.07061	28.1
71.04967	9.7
73.02897	6.0
74.06102	1.6
79.05482	73.6
81.03404	31.3
81.07043	100.0
82.07389	2.0
83.04965	17.3
83.08604	27.7
85.02905	12.3
85.06522	7.0
91.05454	72.6
93.03381	2.4
93.07029	90.8
94.07364	3.5
95.04958	37.9
95.08587	46.0
97.02859	5.6
97.06523	12.5
97.10157	15.5
98.98418	3.7
99.04433	5.4
99.08067	6.3
103.05442	3.0
105.07016	70.7
107.04951	11.2
107.08572	50.3
109.02859	10.9
109.06505	13.9
109.10136	20.3
110.03641	4.1
111.04430	17.5
111.08076	9.6
111.11692	2.0
113.05968	2.0
115.05444	3.0
117.06993	26.0
119.08554	57.8
119.09407	3.1
121.06525	10.2
121.10124	37.3
123.08063	11.8
123.11685	6.8
125.09614	14.2
127.03864	5.9
128.06194	2.9
129.06998	14.5
130.07765	1.9
131.08549	37.8
132.99561	2.5
133.06468	2.9
133.10109	43.0
134.10565	2.1
135.08035	8.7
135.11671	30.0
137.09564	3.9
139.07605	1.9
139.11131	3.6
142.07777	1.9
143.08522	12.1
145.06485	2.2
145.10101	28.6
147.08026	6.6
147.11665	38.6
149.09615	13.4
149.13257	13.6
151.11121	4.0
153.09142	3.7
153.12721	4.2
155.01016	3.4
155.08519	2.3
157.10130	11.3
159.08044	2.9
159.11664	26.4
161.09621	3.3
161.13220	23.3
163.11145	16.8
165.09105	2.8
165.12721	3.9
169.10123	4.6
171.10371	1.9
171.11630	10.6
173.09540	2.0
173.13228	9.2
175.11139	5.6
175.14772	9.5
177.12717	5.2
181.10187	3.0
181.12152	5.6
182.10912	1.8
183.11636	3.4
185.13158	11.4
187.11261	1.7
187.13199	2.1
187.14799	4.1
189.11186	10.8
189.12689	3.4
191.00143	5.8
191.10666	4.8
193.12184	10.2
195.11755	1.7
195.13768	4.8
197.13295	2.1
199.14818	4.1
201.16432	2.4
203.14343	2.1
205.12285	2.3
209.01190	1.9
209.11655	3.4
211.13228	8.0
213.16376	4.3
217.19426	1.9
223.13115	12.8
227.12672	10.9
229.19513	2.0
231.17499	2.0
231.20967	5.2
239.17990	3.1
241.19495	25.5
243.21135	1.8
257.18961	4.2
259.20520	57.8
260.20868	4.1
261.22015	4.3
267.15848	12.9
269.17435	12.4
271.20670	2.0
273.18466	8.0
275.20004	23.3
276.20468	3.6
277.21320	4.0
283.15268	1.8
285.17041	3.3
290.43155	2.0
291.19519	25.9
293.21075	10.5
301.21448	5.0
302.94797	1.7
309.20758	1.9
313.21692	1.8
317.20929	3.0
333.24112	8.1
349.23608	6.5
351.25275	78.7
352.25406	5.8
365.23141	6.7
375.25336	2.3
387.25735	2.0
449.30307	2.9
467.31238	3.1
485.32352	5.3
500.80548	2.0
541.35321	11.0
559.25793	5.6
559.35895	26.8
577.27466	2.8
577.37201	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	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.7
53.03931	5.3
55.01857	12.6
55.05500	47.6
57.03425	13.0
57.07074	2.3
59.04979	2.4
64.18015	1.6
65.03928	6.4
67.05491	73.0
69.03418	7.7
69.07053	31.2
69.41831	18.6
71.04984	11.9
71.08623	2.8
73.02903	1.8
78.09505	1.9
79.05480	64.1
81.03403	30.7
81.07042	100.0
82.07378	3.1
83.04974	21.5
83.08599	28.4
85.02887	12.8
85.06526	6.6
86.68597	1.5
91.05461	60.0
92.05806	2.6
93.07026	62.1
94.07378	1.9
95.04956	53.1
95.08585	42.6
95.37053	1.6
96.08919	1.5
97.06509	16.0
97.10149	11.7
98.18773	1.7
99.04441	5.2
99.08094	5.2
103.05460	2.0
105.07011	52.7
107.04946	13.9
107.08572	45.7
108.08907	2.1
109.06502	21.1
109.10133	20.6
111.04430	10.7
111.08047	11.7
113.06009	4.2
113.94828	1.7
115.05396	2.2
117.07000	18.5
119.08561	37.5
120.08901	2.9
121.05750	2.2
121.06463	11.8
121.10122	33.5
123.04455	4.1
123.08018	9.8
123.11695	8.6
125.05940	3.0
125.09629	13.0
128.06192	3.8
129.06979	13.5
131.08545	28.5
133.06482	4.5
133.10103	30.4
135.08025	11.1
135.11661	17.5
137.09583	4.8
139.11226	3.3
141.06927	2.9
142.07748	2.5
143.08543	7.4
145.06451	2.6
145.10104	24.9
147.08061	7.8
147.11681	21.3
149.02271	2.3
149.09596	25.7
149.13264	6.4
151.11209	6.5
153.09055	2.6
153.12746	3.5
155.08511	3.6
157.10092	14.3
159.08092	5.3
159.11655	13.3
161.09631	7.6
161.13254	7.7
163.11163	22.8
165.09070	1.7
165.12781	7.5
169.10089	3.6
171.08040	1.7
171.10374	1.7
171.11711	6.3
173.09674	4.3
173.13243	6.9
175.11145	13.3
175.14848	3.1
177.12735	3.7
179.10698	2.1
179.14296	3.1
181.12213	6.3
183.11684	4.0
185.09769	1.8
185.13261	5.5
187.11200	2.8
187.14844	2.2
189.11266	9.3
189.12730	2.6
191.10649	4.4
193.12212	18.6
199.14949	3.1
205.12230	3.8
207.13652	1.7
209.84319	1.8
211.13228	21.5
215.14484	2.5
217.16013	1.8
223.13252	26.2
223.15277	1.8
227.12665	10.9
229.14502	1.8
229.19417	4.4
233.15456	1.8
239.17911	3.2
241.19479	3.5
247.20444	2.0
257.19000	6.3
259.20633	5.9
267.15854	23.9
269.17551	5.6
273.18457	5.0
275.20020	42.9
277.21652	6.6
283.15402	4.6
285.16946	4.1
289.17969	1.7
291.19501	11.2
293.21054	19.3
301.16510	3.7
301.21661	3.6
315.23016	1.9
317.21103	4.3
331.22583	2.8
333.24356	4.1
349.23749	10.0
351.24500	1.7
365.23215	4.0
367.24799	4.5
421.31235	2.1
439.32175	2.3
449.30353	4.1
467.31552	7.9
485.32565	7.0
541.35114	10.0
559.36182	32.5
577.12280	2.3
577.37225	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.5
55.01862	17.8
55.05506	37.8
55.42912	2.7
57.03419	13.7
57.07054	4.7
65.03920	5.1
67.05141	5.0
67.05492	84.9
68.05838	3.4
69.03413	8.6
69.07058	30.7
70.46712	13.5
71.04967	8.0
71.08602	6.6
73.02892	8.4
77.03900	3.4
79.05480	89.2
80.05798	4.8
81.03407	25.0
81.07043	100.0
82.07345	4.0
83.04962	15.5
83.08600	24.7
85.02863	10.4
85.06525	7.3
91.05460	70.7
92.05780	5.0
93.07026	82.3
94.07359	3.1
95.04945	28.1
95.08588	50.1
95.66630	2.6
96.08961	3.4
97.02847	8.6
97.06499	20.5
97.10132	13.9
99.04423	4.4
99.08059	5.5
105.06332	4.7
105.07014	68.9
106.07310	3.8
107.04913	12.8
107.08571	55.8
109.02858	11.9
109.06490	11.2
109.10157	20.8
111.04417	12.5
111.08035	8.2
113.09619	3.7
117.06986	27.5
119.08556	60.5
121.06464	8.6
121.10115	43.0
123.04306	4.1
123.08036	8.3
123.11680	6.2
125.09606	11.3
127.03888	7.1
128.06218	3.7
129.06984	22.2
131.08546	31.9
131.71738	3.1
133.06500	7.2
133.09174	4.2
133.10112	48.2
135.08014	8.8
135.11652	30.0
136.11964	4.9
137.09575	4.3
139.11110	4.1
141.06964	4.9
142.07718	4.4
143.08531	10.2
145.10109	36.8
147.07991	8.5
147.11647	43.6
149.09599	14.4
149.13220	11.5
150.09779	3.1
151.11154	6.4
153.09102	4.1
155.01036	3.1
155.08525	3.7
157.10114	13.4
159.08064	6.0
159.11664	25.3
161.13231	26.7
163.11162	17.6
163.14796	5.5
165.12727	7.2
171.10223	3.8
171.11641	15.7
173.09564	3.9
173.13223	13.6
175.11121	6.1
175.14809	10.8
177.12708	4.0
183.11754	3.6
185.13214	11.6
189.11218	7.7
193.12222	8.2
197.13336	3.6
199.14810	7.4
203.14514	3.2
207.11671	3.2
209.01060	3.2
209.11545	4.9
213.16211	2.9
227.12727	11.3
229.14296	3.6
231.21007	4.4
239.17952	3.6
241.19475	22.4
257.19012	7.0
259.20535	62.8
261.22015	5.8
267.15793	9.1
273.18481	5.0
275.20029	24.6
277.21402	8.9
291.19464	10.8
293.21021	6.3
295.68628	3.3
301.21674	3.4
328.26318	3.1
333.24188	10.9
341.20724	3.8
349.23621	8.4
351.25247	86.4
367.24521	3.6
467.31113	6.3
485.31955	5.4
541.34644	6.8
559.36176	23.5
577.28174	4.1
577.37000	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.7
53.04147	0.9
55.01863	6.7
55.05270	1.4
55.05501	13.5
56.31078	1.1
57.03426	6.6
57.07053	2.2
58.22075	0.9
61.02913	1.8
65.03915	1.6
67.05138	1.6
67.05492	31.3
69.03412	7.1
69.07046	12.2
70.95793	2.7
71.04969	3.9
73.02899	7.6
73.12572	0.9
75.04424	1.2
75.57483	1.0
79.05479	46.1
80.05804	1.0
81.03400	9.2
81.07039	38.7
82.07349	1.1
83.04961	5.5
83.08609	7.0
85.02886	5.5
85.06515	4.3
91.05461	45.5
92.08344	1.0
93.07026	59.3
94.07402	1.1
95.04962	7.0
95.08004	1.8
95.08588	27.0
97.02866	3.6
97.06514	5.0
97.10163	2.8
99.04427	4.9
99.08057	4.4
101.49178	1.2
103.03921	1.1
103.05426	1.2
105.04414	1.2
105.07008	44.9
107.08573	34.9
109.02858	13.4
109.06493	3.9
109.10127	11.9
110.03637	3.2
111.04446	7.8
111.08039	2.4
113.09575	1.3
115.05450	1.2
117.07000	12.1
119.08555	39.4
119.09418	2.0
121.06451	1.4
121.10122	24.9
123.07996	1.6
123.11679	2.6
125.09613	1.3
127.03853	4.9
128.06178	2.5
129.06969	9.7
131.08537	20.4
132.99489	1.9
133.10103	38.1
135.08043	3.3
135.11667	29.1
137.09555	1.4
143.08545	10.4
145.10092	20.3
147.11659	39.4
149.09590	4.1
149.13234	16.3
151.11172	1.6
155.08585	1.4
157.10085	8.6
159.11674	16.4
161.09613	1.3
161.13228	26.6
163.11137	4.2
163.14816	7.7
165.12704	2.0
167.08482	1.4
169.10072	1.7
171.11655	10.5
172.98969	1.2
173.13226	9.7
175.11044	1.5
175.14787	11.7
177.12645	2.2
177.16376	1.0
183.11694	1.4
185.13200	10.8
187.14777	2.2
189.12732	2.3
189.16270	1.1
191.00058	4.6
191.14291	1.4
197.13219	1.4
199.14731	7.0
201.16354	1.7
209.01131	2.1
213.16345	3.8
217.15822	1.4
217.19434	1.3
229.19551	1.2
231.17456	2.5
231.21046	6.5
241.19469	28.3
259.20526	76.5
260.20914	1.9
261.21976	1.1
267.15640	1.6
275.20020	3.1
277.21561	8.0
283.20251	1.1
301.21484	2.5
315.23203	1.4
333.24191	9.1
349.23596	4.0
351.25247	100.0
352.25607	1.9
363.25235	1.8
375.25211	1.8
405.26205	1.1
441.26010	1.8
449.19720	1.6
467.20761	2.2
485.21854	1.6
501.07220	1.1
541.34161	1.5
554.45605	1.0
559.25372	3.9
559.35333	2.5
577.26776	2.3
577.36163	3.6
589.78455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01868	6.8
55.05243	1.3
55.05499	16.3
56.57371	1.2
57.03432	6.6
57.07063	2.6
61.02923	2.5
65.03924	2.0
67.05495	41.1
69.03425	7.6
69.07060	15.8
71.04991	4.3
71.08607	1.3
71.43699	2.0
71.44032	1.4
73.02906	7.7
79.05019	2.6
79.05481	51.7
81.03403	9.5
81.07043	45.7
82.07376	1.7
83.04971	5.1
83.08607	11.3
85.02880	7.3
85.06526	5.0
87.04397	1.0
91.05457	41.4
93.07027	54.2
95.04961	11.3
95.08593	30.0
97.02882	3.0
97.06506	5.6
97.10168	3.8
99.04459	5.6
99.08077	3.3
100.43741	1.2
103.05455	2.0
104.10139	1.1
105.07008	47.8
106.07372	1.7
107.04941	4.3
107.08575	35.6
108.08881	1.3
109.02859	12.1
109.06503	5.1
109.10137	12.5
110.03638	4.6
111.04417	8.2
111.08049	2.0
113.09631	1.4
115.05465	1.6
117.07002	14.0
119.08562	44.8
121.06483	1.5
121.10121	31.0
123.08062	2.7
123.11721	4.1
125.09592	3.6
127.03891	6.2
128.06209	1.3
129.06985	9.6
131.08548	20.3
133.06453	1.6
133.10114	35.0
135.08026	4.4
135.11681	27.4
135.12616	0.9
137.09621	2.9
142.07715	2.2
143.08578	7.8
145.06473	1.8
145.10094	22.4
147.08055	1.8
147.11659	39.5
149.09612	4.7
149.13225	18.2
151.09982	1.2
151.11180	3.3
155.08557	2.1
157.10112	10.8
159.08057	1.7
159.11659	19.2
161.09621	1.5
161.13240	24.7
163.11160	4.0
163.14748	6.0
165.12767	3.3
169.10071	2.8
171.11684	10.6
173.09608	1.6
173.13214	11.2
175.11205	2.9
175.14798	11.1
177.12694	2.3
183.11688	2.5
185.13205	10.5
187.14822	3.4
189.11197	2.0
189.12766	2.9
189.16347	1.5
191.00113	5.2
191.14249	1.5
193.12202	2.7
195.11491	1.2
195.13686	1.1
199.11148	1.3
199.14854	5.9
203.14339	1.5
207.11792	1.6
209.01106	1.6
209.11676	1.6
213.16360	2.5
217.15933	1.5
223.13098	2.0
227.12746	1.7
231.17520	2.6
231.21098	5.8
241.19475	28.1
241.21902	1.6
257.18933	1.6
259.20532	75.3
260.20935	1.2
267.15839	3.3
271.20496	1.8
273.22064	1.1
275.19955	8.4
277.21552	10.4
291.19629	1.9
293.21008	1.6
301.21500	2.6
325.21613	1.6
333.24249	9.2
349.23633	3.8
351.25269	100.0
352.25546	2.3
366.23788	1.5
367.22653	2.1
371.30304	1.5
375.25162	3.1
449.19821	2.4
467.20898	2.6
467.31641	1.4
485.21918	2.3
559.26703	5.6
559.35931	5.5
577.36871	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	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
55.01833	1.6
59.08707	0.5
59.57418	0.5
62.05700	0.5
65.03917	1.1
67.05460	2.5
69.03399	1.1
70.06535	2.0
71.27172	1.1
79.05482	7.2
81.03368	1.5
81.07043	26.8
84.04467	0.7
84.08103	1.8
85.02885	3.3
85.06493	1.8
86.09672	1.0
91.05428	2.5
93.07007	1.7
95.04942	0.9
97.02874	1.1
99.04428	1.2
103.03902	2.0
109.02819	1.9
109.06499	52.1
119.04891	2.3
120.08055	0.6
121.02805	2.1
121.53832	0.5
121.61954	0.5
125.63621	0.5
127.03839	2.0
127.07525	1.3
129.10077	0.6
137.05952	33.6
145.04874	0.7
149.69189	0.6
155.04884	1.4
155.06976	2.5
173.08066	6.8
183.04347	1.3
201.05460	1.4
211.03889	6.9
217.04898	0.5
219.02882	1.4
225.05403	1.0
229.04939	5.0
239.03319	1.3
243.06415	0.7
245.04445	1.1
253.05092	0.7
256.03732	1.1
256.07080	0.7
257.04410	49.3
260.03149	2.2
261.03839	5.5
267.02853	2.2
271.05978	4.0
273.03888	23.5
274.04538	3.4
275.05350	0.6
281.04407	0.8
283.05945	3.7
284.06717	4.0
285.03891	100.0
286.04297	1.2
287.02002	0.8
287.05356	1.1
289.03421	0.8
295.06000	4.1
297.03842	4.4
297.07166	0.9
298.04434	0.8
299.02066	1.0
299.05368	6.3
299.11197	1.5
303.04947	70.7
304.05240	0.9
307.05618	0.8
309.07593	0.9
311.05417	1.0
313.07016	16.8
317.12268	1.7
323.05377	0.7
325.03400	1.1
327.04895	9.7
327.08527	0.8
337.07025	1.8
339.04901	3.8
341.06619	0.6
351.05005	2.4
357.06052	2.2
369.06015	7.3
379.08142	1.2
387.07068	4.5
393.09711	0.8
405.08084	4.3
415.10120	1.2
439.10187	1.2
457.11221	14.7
541.13123	1.3
549.74127	0.6
559.14459	2.9
577.15442	3.5
577.30212	0.9
595.74561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.05484	1.0
57.03392	0.9
67.05482	1.1
68.38453	0.5
68.99799	0.6
69.03390	1.0
69.09237	0.5
70.06557	2.0
70.83752	1.3
70.84113	1.1
71.04969	0.6
72.02291	0.5
72.08118	0.8
76.25334	0.6
78.73940	0.5
79.05479	0.7
80.37686	0.5
81.03403	2.9
81.06996	0.6
81.09594	0.6
83.04938	0.7
84.04485	0.7
84.08109	1.5
85.02895	6.5
85.08411	0.5
86.09679	0.6
91.05416	0.9
95.04940	1.1
97.02862	2.4
98.21370	0.6
99.04441	4.7
103.03928	6.9
103.05408	0.5
103.86060	0.5
105.03327	0.6
109.02859	6.3
109.06432	0.6
119.04910	3.2
121.02851	7.7
127.03885	4.9
135.04372	0.6
137.06020	0.7
145.02802	3.5
145.04910	1.5
147.04366	1.2
149.02312	1.9
151.03828	0.9
153.01859	0.9
161.05936	0.8
161.33849	0.5
163.03868	7.6
165.01816	7.2
167.03394	5.7
167.07014	1.6
169.04967	0.7
171.07884	0.6
177.01772	1.5
177.05467	0.6
181.04971	0.7
183.02893	5.7
187.03889	2.8
187.05759	0.5
191.03329	1.2
195.02829	2.9
205.04930	1.5
211.04076	0.6
215.03357	0.7
229.04877	1.2
233.04424	1.3
239.07051	1.6
243.02895	0.8
255.06416	0.8
256.07278	1.1
257.04422	1.1
261.03802	1.0
267.06497	10.2
270.05203	4.7
271.05954	6.6
273.03873	3.1
279.06506	2.2
281.05017	1.0
281.08032	9.1
283.05978	59.2
284.06738	10.3
285.03839	2.3
285.07288	1.2
289.08578	1.1
294.05301	0.8
295.05960	18.6
295.09586	4.1
297.04196	1.2
297.07541	2.1
303.05048	1.4
305.08017	4.3
307.05997	4.5
308.06772	3.3
309.04037	1.4
309.07486	20.4
311.05353	2.0
313.07013	100.0
314.07339	2.2
319.06006	0.9
321.07495	1.5
323.05524	1.1
323.09073	15.9
325.06970	1.7
333.07547	8.3
335.05435	1.3
335.09149	0.8
337.07022	36.6
338.07434	0.9
339.04901	1.4
349.07031	1.6
351.08478	3.4
355.07324	0.6
361.06979	11.8
367.07983	3.1
379.08069	70.1
380.08499	1.0
385.07312	1.1
397.09009	6.2
415.10223	3.9
439.10217	0.6
457.11310	0.6
479.13248	1.1
497.14502	1.0
505.11139	0.8
523.12305	1.9
541.13275	11.2
542.12927	0.8
559.14423	10.2
577.14777	2.5
577.30060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.05499	42.6
55.54008	0.8
57.07064	76.5
58.07386	1.4
65.03920	2.7
67.05489	63.3
67.22318	0.9
69.07054	73.6
69.44679	0.9
70.24214	4.7
71.08617	57.2
74.48928	1.0
79.05476	11.3
81.07039	90.8
82.07359	1.7
83.08603	58.9
83.35101	1.0
85.06527	1.5
85.10165	31.8
85.81339	0.8
91.05447	4.1
93.07030	8.8
95.04934	1.5
95.08588	100.0
96.08932	1.9
97.10151	47.4
97.66840	1.0
97.97665	0.9
98.20804	1.2
99.08052	1.1
99.11697	5.0
105.07004	2.9
107.08564	3.7
109.10133	58.4
110.10490	1.3
111.11697	32.6
113.13243	3.2
119.08553	1.7
121.10095	4.1
123.11683	26.0
125.13251	15.4
127.14853	1.6
133.10120	2.2
135.11633	2.3
137.13222	12.5
139.14799	5.1
143.94470	0.9
149.13202	1.0
151.14801	9.6
153.16396	2.1
155.17896	0.9
163.14890	0.9
165.16374	8.7
175.14780	1.1
179.17906	3.4
193.19560	1.2
203.68921	0.8
220.04820	0.9
239.23804	4.5
241.28427	0.9
263.23630	2.9
291.30466	1.7
333.35220	1.3
361.38379	2.1
514.98486	1.1
557.60028	12.9
575.49982	42.9
575.60870	13.0
576.50452	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	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45930	1.5
53.03941	4.6
53.41975	1.5
55.01861	4.6
55.05500	26.3
57.03436	4.1
57.07050	4.8
59.98534	1.6
65.03925	6.0
67.05494	73.1
69.03421	2.4
69.07052	27.6
71.04975	24.7
73.06549	2.8
73.75124	1.8
79.05482	55.3
79.05930	3.0
81.03411	6.6
81.07043	100.0
83.04976	8.8
83.08604	17.5
85.06531	5.5
91.05466	42.5
93.07029	60.3
95.04956	14.1
95.08592	35.9
97.06506	15.0
97.10188	2.0
99.08087	5.3
105.07008	34.1
107.04970	5.7
107.08561	37.3
107.09218	2.3
108.88490	2.2
109.06500	12.6
109.10127	11.1
111.04457	7.0
111.08056	8.9
113.09661	4.6
115.44043	1.8
117.07011	12.5
119.08554	21.0
121.06472	3.3
121.10107	21.0
123.08042	9.2
123.11705	5.6
125.09624	6.4
127.70322	1.8
129.06940	3.2
131.08559	16.2
133.10098	21.9
135.08096	2.2
135.11676	12.7
137.09644	4.8
143.08586	2.0
145.10118	11.0
146.17101	1.5
146.35204	1.6
147.08095	2.7
147.11662	13.6
149.09622	6.1
149.13257	18.8
151.11180	3.0
155.08525	1.7
157.10184	2.1
159.11690	11.5
161.13260	3.1
163.11221	4.4
165.12802	4.4
165.88654	1.7
171.11612	2.0
173.13292	4.0
177.12784	4.8
181.12186	3.0
189.12746	2.2
195.13907	4.6
229.19556	3.1
229.91331	1.8
233.15556	2.5
239.17949	2.0
247.20485	4.4
257.19034	5.2
258.79489	1.7
273.18787	2.0
275.20016	35.4
277.21478	2.0
289.21542	2.8
293.21115	2.1
307.22598	25.5
307.25748	2.2
349.23718	2.1
392.55585	1.7
463.30692	2.9
543.36707	8.1
557.37170	2.3
575.39532	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01858	2.7
55.05507	12.0
57.03422	3.7
57.07061	13.7
58.07409	2.8
65.03931	2.6
67.05492	33.4
69.03424	1.2
69.07060	13.2
71.04981	10.7
71.08617	1.4
79.05483	27.8
81.03377	2.1
81.07043	44.1
83.04977	4.6
83.08604	9.4
85.06512	1.8
87.04451	100.0
88.04791	16.9
89.06032	1.6
91.05464	19.9
93.07033	31.4
95.04957	7.1
95.08588	17.3
97.06498	6.1
97.10157	1.9
99.08095	2.2
101.30872	1.0
105.07027	14.6
107.04935	3.0
107.08573	15.3
107.32342	1.0
109.06498	5.0
109.10133	5.5
111.04438	3.7
111.08080	2.6
113.09609	1.2
117.07026	6.0
117.70162	1.0
119.08578	9.7
121.06501	7.0
121.10128	9.2
123.08058	4.5
123.11664	3.0
125.09576	1.6
129.06978	2.6
131.06999	1.6
131.08546	9.4
133.10100	7.2
135.08037	2.4
135.11656	6.9
137.09596	2.8
139.11107	1.1
143.10448	1.0
145.10114	5.1
147.08026	2.2
147.11668	7.5
149.09604	5.2
149.13223	9.5
150.06731	1.4
151.11172	3.0
157.10129	1.8
159.11690	5.7
161.09596	1.6
161.13188	1.6
163.11203	3.9
165.12776	1.2
169.09995	1.2
173.13269	3.3
177.12708	2.6
183.11667	1.6
189.12743	1.4
195.13824	2.0
219.12271	1.9
227.12854	2.3
229.19576	1.3
233.18895	2.0
234.19293	2.0
247.20613	1.8
257.18915	3.0
261.79086	1.4
275.20010	16.6
277.21539	3.6
278.21982	1.8
281.87695	1.2
299.76459	1.1
307.22623	9.5
331.76523	1.2
543.36688	4.0
557.36572	1.2
575.39594	31.1
575.49829	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	575.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01859	14.5
55.05235	2.3
55.05499	34.7
57.03431	11.1
60.87863	2.0
65.03922	3.9
67.05135	3.7
67.05492	65.5
69.03399	6.9
69.07051	24.1
71.04976	9.0
71.15322	4.1
71.15701	4.3
77.03931	2.1
79.05477	77.0
81.03401	15.2
81.07040	100.0
82.94882	1.7
83.04960	19.1
83.08607	21.3
85.02859	5.5
85.06527	4.5
91.05458	49.4
93.07027	66.5
95.04952	40.0
95.08005	3.2
95.08589	48.4
95.09185	2.6
97.02865	4.1
97.06515	12.1
97.10146	13.3
98.52493	1.6
99.04433	6.1
99.08043	2.3
103.05476	3.2
105.06328	3.3
105.07011	48.0
107.04926	19.2
107.08578	46.5
109.06490	27.7
109.10124	18.7
111.04414	11.6
111.08036	7.5
113.05966	7.3
115.05430	4.3
117.06996	21.1
119.04885	2.6
119.08544	42.1
121.06506	11.4
121.10117	23.2
123.08021	10.9
123.11658	3.6
125.05952	3.7
125.09625	11.9
128.06247	4.5
129.06979	15.1
130.07814	2.6
131.08556	26.5
133.06477	5.6
133.10107	23.6
135.08022	10.9
135.11665	29.6
137.09579	4.9
139.07506	1.8
141.06969	3.4
142.07753	2.9
143.08530	8.3
145.06480	5.8
145.10088	32.7
147.08049	9.4
147.11626	17.0
149.09579	12.3
149.13249	5.7
151.11197	3.7
153.09105	2.5
153.12704	3.5
155.08545	5.3
157.10115	12.4
159.07962	2.5
159.11671	10.4
161.09656	9.4
161.13200	5.6
163.11166	35.0
165.09103	3.8
165.12715	6.4
169.10088	7.6
171.07962	2.4
171.11676	5.3
173.09602	8.6
173.13243	4.9
175.11137	4.7
177.12740	2.6
181.10110	2.8
181.12250	8.8
183.11600	4.2
185.09631	3.7
185.13237	3.1
187.11198	3.4
189.11205	7.5
189.12758	3.5
191.10684	5.1
193.12273	9.4
197.13269	3.4
199.14746	2.9
201.12740	2.4
205.12273	2.4
209.11670	16.4
211.13278	3.8
223.13235	15.1
227.10468	2.5
227.12747	47.1
229.14165	2.4
229.19417	2.2
237.42865	2.1
241.19551	4.8
249.14958	2.3
255.17317	2.7
257.19012	6.0
259.20547	6.3
265.14340	2.6
267.15894	11.4
273.18439	17.1
273.55017	1.9
275.20020	40.7
283.15381	17.0
285.16873	3.9
291.19507	32.1
293.21091	12.3
297.18323	3.1
299.14880	4.5
299.20007	3.0
311.20163	2.2
313.21481	4.5
315.19473	5.5
333.24323	2.4
347.21909	4.7
349.23669	10.5
365.23398	3.7
403.24808	2.6
417.84070	1.8
447.28146	4.3
461.68546	2.2
465.29794	6.5
483.31134	9.6
501.31781	5.3
539.33704	5.4
557.26709	3.3
557.34692	35.8
558.34857	2.5
575.35602	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21729	1.7
53.03923	5.0
55.01877	12.9
55.02107	2.6
55.05507	31.4
57.03427	5.5
57.07069	4.3
61.75068	1.9
65.03934	4.8
67.05495	65.4
68.86279	1.8
69.03432	3.1
69.07054	26.5
69.54413	16.7
71.04982	7.0
79.05482	70.8
81.03424	10.5
81.07045	93.8
82.07355	1.9
83.04980	11.1
83.08609	22.7
85.06538	3.2
90.28466	1.7
91.05466	46.8
93.07030	68.9
95.04951	19.9
95.08593	62.4
95.85738	1.6
96.08915	1.5
97.02869	5.0
97.06500	13.5
97.10153	8.1
99.04413	4.3
99.08115	2.9
103.05470	2.8
105.07018	39.1
107.04947	16.7
107.08584	48.4
109.06499	23.3
109.10139	16.3
111.04449	4.5
111.08047	6.3
113.06006	2.6
115.05402	1.7
117.07005	19.2
119.08569	33.8
121.06462	8.7
121.10134	23.3
123.08036	6.2
123.11691	7.2
125.05958	2.8
125.09609	5.2
129.06992	6.7
130.07771	3.8
131.08559	13.8
133.06459	3.2
133.10130	20.8
135.08038	8.6
135.11670	44.1
137.09608	4.1
142.07779	1.7
143.08559	5.9
145.06445	1.8
145.10100	40.0
147.07965	2.6
147.11661	18.5
149.09570	9.5
149.13240	5.5
151.11166	4.8
153.12755	2.8
155.08444	2.0
157.10150	4.9
159.11652	8.7
161.09596	3.9
161.13255	5.2
163.11166	55.8
163.14856	2.3
165.12750	4.7
167.14134	1.7
169.10114	5.1
171.11745	2.7
173.09595	3.5
173.13234	3.3
175.11191	2.2
177.12744	2.2
179.14267	3.0
181.12199	11.3
183.11723	3.6
185.13173	2.5
187.11197	2.4
189.11203	2.5
189.16437	1.8
191.10541	2.0
192.99867	1.8
193.12230	3.8
197.13197	2.4
209.11658	5.0
219.13791	2.5
219.17497	1.8
227.12744	100.0
229.19518	2.3
239.18027	2.1
247.20468	2.4
257.19003	5.0
259.20612	4.0
267.15985	2.8
273.18607	3.3
275.20001	53.4
283.15332	13.9
291.19525	5.8
293.21094	10.3
299.14993	2.5
313.21466	2.5
333.24380	2.6
349.23761	18.8
465.30139	2.2
483.30829	2.5
539.33264	3.3
543.37042	2.3
557.34589	29.6
575.35626	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	575.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01860	16.7
55.05503	45.1
57.03428	12.5
57.07052	3.0
57.44735	1.7
59.04995	2.6
65.03928	4.5
65.98280	1.5
67.05495	77.2
69.03415	6.6
69.07056	30.8
69.89536	8.4
71.01328	3.6
71.04980	8.9
71.08597	2.1
73.02880	2.6
74.70193	1.5
79.05481	82.5
81.03400	12.0
81.07043	100.0
83.04971	21.4
83.08607	30.4
85.02884	3.9
85.06519	7.3
88.09473	1.8
91.05468	70.5
93.07030	81.7
94.07405	2.4
95.04958	46.0
95.08591	68.8
95.09201	3.7
97.02866	5.6
97.06516	16.5
97.10134	17.5
99.04432	5.9
99.08078	3.6
103.05446	4.7
105.04518	2.2
105.06329	3.6
105.07011	58.7
107.04947	20.6
107.08578	62.9
109.06499	24.1
109.09510	2.3
109.10150	26.2
111.04433	14.4
111.08060	8.2
113.05995	2.8
113.09630	2.5
115.05395	4.1
117.07008	28.7
119.07730	3.1
119.08557	47.6
121.06488	14.0
121.10128	33.1
123.08022	9.2
123.11679	6.9
125.05999	3.6
125.09595	13.2
128.06212	4.6
129.05522	2.1
129.07013	13.6
130.07767	4.3
131.08546	25.2
133.06459	3.7
133.09167	2.5
133.10117	30.4
135.08034	13.4
135.11674	47.3
137.09570	5.2
139.07541	2.4
139.11148	3.3
142.07724	2.7
143.08536	12.4
145.06456	4.5
145.10106	46.6
147.08012	6.5
147.11653	22.5
149.09601	19.4
149.13237	6.3
151.11145	3.6
153.09010	2.5
153.12675	2.9
155.08502	5.0
157.10080	8.1
159.07999	4.7
159.11650	13.4
161.09566	6.0
161.13257	14.1
163.11166	67.5
165.12784	3.4
169.10097	5.0
171.11627	8.0
173.09579	8.0
173.13242	6.4
175.11176	6.9
175.14815	2.7
177.12706	2.3
179.14337	2.2
181.10115	2.9
181.12184	13.0
182.83136	1.7
183.11676	3.7
185.09584	2.0
185.13272	5.4
187.11153	2.8
187.14832	5.0
189.11302	8.0
189.12701	1.8
191.10588	4.7
191.14357	2.1
193.12181	4.7
197.13295	3.6
197.75755	1.6
199.14864	2.3
201.12761	1.8
205.12256	2.8
209.11618	11.1
211.14824	2.2
215.17789	1.6
223.13220	29.2
225.11102	4.1
227.12733	83.2
229.19357	2.3
239.17917	3.6
241.19475	5.8
247.20619	4.0
257.18979	8.9
259.20535	23.2
261.05444	2.0
267.15909	4.9
273.18454	9.1
275.20041	52.8
276.20444	1.8
283.15378	15.7
291.19534	13.7
293.21066	19.1
299.14856	12.5
315.19397	2.4
331.22714	2.2
333.24133	9.2
349.23734	12.9
433.31491	2.6
465.30139	5.1
483.31021	3.8
501.31787	2.4
517.34912	3.6
525.35663	4.1
539.33502	4.1
543.36438	4.9
557.34521	21.4
575.35626	75.1
575.49530	3.8
576.35809	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	575.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96980	2.6
53.03936	13.6
55.01848	10.5
55.05505	26.3
57.03433	35.1
58.58888	2.6
61.02621	2.9
61.02916	36.3
65.03906	3.8
65.36111	2.5
67.05143	4.0
67.05495	74.7
69.03424	72.7
69.06748	2.3
69.07055	18.9
69.28712	2.4
69.89159	17.5
70.06586	2.6
71.01331	6.0
71.04974	15.3
73.02906	20.9
79.05084	3.9
79.05485	47.3
81.03407	98.2
81.07040	100.0
83.04964	37.8
83.08614	19.3
85.02893	59.4
85.06516	6.1
87.04430	5.3
91.03943	18.3
91.04929	3.7
91.05463	44.4
93.06434	3.5
93.07031	67.2
95.04966	19.3
95.08592	31.9
96.61744	2.3
97.02879	82.4
97.06494	15.1
98.21347	3.3
99.04449	21.7
99.08067	5.5
101.02340	13.7
103.03927	15.2
105.07014	28.8
107.04958	13.7
107.08567	33.7
108.98492	2.4
109.02854	33.8
109.06485	10.3
109.10110	5.7
111.04417	19.2
111.08052	11.2
115.03887	4.5
117.07016	19.2
119.08577	16.5
119.09287	2.7
121.06474	7.4
121.10137	16.2
123.04448	3.2
123.08050	5.5
123.11653	8.7
127.03898	47.8
129.05455	21.3
129.06970	5.6
131.08557	29.4
133.06511	6.2
133.10080	20.1
135.08040	6.1
135.11697	14.0
137.09538	3.8
139.11089	2.9
143.08517	4.8
145.04912	7.8
145.06392	5.8
145.10089	9.1
147.04388	2.7
147.08018	4.0
147.11649	15.5
149.05876	3.4
149.09584	3.6
149.13235	30.4
155.07048	3.2
155.08539	5.8
155.54272	2.8
157.10188	5.5
159.11656	31.8
161.09497	3.7
161.13243	5.2
165.12717	5.5
169.09998	2.9
171.11592	3.9
173.04443	4.3
173.13234	4.3
175.11188	2.5
177.12694	23.4
179.14262	3.5
183.06470	18.1
193.12331	4.1
195.13783	47.0
201.07574	9.1
212.06525	2.7
212.83466	3.0
213.14787	17.1
219.13820	3.0
227.12566	4.1
229.14122	3.5
249.14789	3.8
251.16412	3.3
257.15146	4.6
261.14819	5.8
269.17438	67.1
275.16644	6.3
275.20007	11.5
293.17438	2.9
297.16870	6.3
303.15826	8.3
311.18463	3.7
321.16818	6.5
336.62296	3.3
339.17920	19.8
349.23709	5.9
353.19543	2.9
356.88242	3.2
377.19470	11.9
395.20609	19.2
413.21622	71.0
528.67896	3.2
557.34857	5.3
575.26428	13.4
575.35693	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	575.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.9
54.10227	2.1
55.01857	13.2
55.05503	28.6
56.01482	1.9
57.03431	33.7
61.02912	37.0
65.03909	6.4
67.05142	4.2
67.05495	76.4
69.03421	74.1
69.07057	22.0
69.50360	2.0
71.01328	5.9
71.04992	15.8
71.05309	3.0
73.02908	21.6
74.46065	2.2
76.31586	2.0
79.05482	52.9
81.03405	88.7
81.07044	100.0
82.07350	2.7
83.04494	3.6
83.04961	35.4
83.08601	15.7
85.02390	3.4
85.02895	65.8
85.06531	5.6
87.04449	4.4
91.03945	18.2
91.05463	42.9
93.07031	64.4
95.04970	16.5
95.08594	30.1
97.02879	81.8
97.06523	16.6
97.10164	2.9
98.20712	3.7
99.03976	2.0
99.04448	21.4
99.08060	3.7
101.02357	12.5
103.03922	12.2
105.04561	2.3
105.07004	33.7
107.04944	15.3
107.08570	33.0
109.02861	33.6
109.06525	10.7
109.10130	7.9
111.04427	19.2
111.08039	8.7
113.05975	2.7
115.03935	4.2
117.06993	23.0
119.04911	3.0
119.08556	20.0
121.06474	8.5
121.10113	21.3
123.04408	6.6
123.08058	6.3
123.11676	10.1
125.09620	3.9
127.03896	38.1
129.05453	19.3
129.06967	10.1
131.04913	4.8
131.08548	23.2
133.06494	5.2
133.10126	27.8
135.08034	7.0
135.11659	16.8
137.06013	3.4
137.09560	2.5
141.06934	5.1
143.08528	4.9
145.04938	11.8
145.06459	2.5
145.10130	12.8
147.04375	2.9
147.08052	4.3
147.11646	13.6
149.09608	5.3
149.13225	36.4
151.11160	3.2
153.05389	2.6
153.08984	2.4
155.08456	4.4
157.06427	2.3
157.10085	4.6
159.08009	4.0
159.11659	34.5
161.09560	4.4
161.13164	7.2
163.11159	3.2
165.12733	5.4
169.10072	2.1
171.06525	2.9
171.07967	3.5
171.11595	3.1
173.04425	5.6
173.09564	4.0
173.13243	4.1
175.11221	3.7
177.12704	24.9
179.14316	4.9
183.06541	19.4
183.11743	4.2
193.12222	4.2
195.13795	48.8
201.07576	9.5
209.11668	5.0
213.14824	19.4
215.14323	4.3
219.13725	7.4
221.15335	2.4
233.15311	6.0
249.14674	3.2
251.16335	2.9
257.15430	3.0
257.18979	4.5
261.14874	4.5
267.15912	4.5
269.17438	70.3
275.16379	6.0
275.19989	11.5
285.17096	3.1
293.17560	2.5
297.17017	7.8
303.15881	8.0
311.18307	2.7
321.16885	6.1
326.12036	2.7
335.18402	3.3
339.17929	22.4
349.23801	4.3
377.19583	11.1
395.16705	2.2
395.20679	22.9
413.21643	72.4
451.64316	2.3
483.74097	2.5
557.26312	4.9
557.34570	3.8
575.26544	18.7
575.35474	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	573.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68377	1.0
53.03919	2.2
55.05501	17.4
57.06799	2.2
57.07069	42.4
57.40375	1.0
67.05495	48.4
67.27636	1.2
69.07062	16.3
70.51691	5.0
71.08245	1.9
71.08620	28.1
79.05483	35.7
81.07048	48.2
83.04971	1.6
83.08605	15.4
85.06512	1.5
85.10172	16.0
91.05469	19.6
93.07037	38.5
95.04942	5.2
95.08593	47.1
97.06515	1.5
97.10146	8.4
99.11729	1.3
105.04486	1.2
105.07024	13.8
107.08576	18.6
109.10147	18.9
111.11733	2.4
117.07006	4.9
119.08592	9.1
121.10141	17.1
123.11687	7.9
125.13272	2.2
131.08551	9.9
133.10121	8.4
135.11670	11.9
137.13258	2.8
145.10091	5.1
147.11664	5.9
149.13225	6.3
151.14810	1.6
159.11723	5.6
161.13240	6.1
163.14767	2.3
165.16383	2.1
173.13237	2.7
175.14870	2.4
187.14784	3.0
239.23659	9.4
243.21033	7.0
261.22104	17.5
274.97556	1.9
313.27316	18.7
317.24692	18.1
408.99301	1.2
573.48718	100.0
574.49048	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	573.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.05503	14.4
57.07067	45.8
57.81049	1.4
65.03920	2.2
67.05494	45.2
69.07054	17.6
71.08623	26.1
71.47800	2.5
75.04745	1.5
76.16277	1.7
79.05480	33.2
81.07048	47.6
82.07369	1.7
83.08605	20.9
85.10175	13.2
87.04449	2.0
91.05457	20.9
91.37713	1.3
93.07033	40.5
95.04958	5.8
95.08591	46.9
95.09203	2.7
97.10176	8.5
97.78442	1.5
100.79455	1.5
105.07030	13.9
107.08574	19.6
109.10151	18.9
111.11734	2.4
112.99866	1.6
117.07007	3.4
119.08561	11.7
121.10147	14.6
123.11686	7.4
129.44615	1.6
131.08557	11.4
133.10124	10.2
135.11679	12.7
137.13191	3.5
145.10075	7.9
147.11652	8.1
149.13264	9.8
151.14848	2.0
159.11658	5.5
161.13263	9.1
163.14807	3.6
173.13255	4.7
173.56133	1.5
175.14824	3.4
177.16475	1.5
187.14777	2.1
189.16324	1.6
192.37762	1.6
201.16426	2.1
204.55043	1.5
207.65909	1.6
219.21106	1.5
222.27718	1.4
233.22630	2.9
239.23671	11.0
243.21153	12.6
257.31839	1.8
261.22131	25.5
277.21735	1.9
298.89789	1.6
299.23630	2.6
313.27295	29.8
317.24744	30.6
317.28256	2.8
499.45337	1.8
504.68704	1.6
571.63562	1.7
573.48718	100.0
574.49054	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	573.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01865	13.0
55.05501	50.6
57.03419	8.4
57.07050	3.8
59.05003	1.9
61.00786	2.1
65.03923	5.9
67.05495	97.3
67.15240	2.4
69.03421	3.8
69.07054	27.7
69.43950	5.7
69.44352	16.5
71.04986	11.5
73.06544	2.1
79.05482	100.0
81.03416	22.4
81.07043	84.1
81.07407	2.0
81.07530	3.1
83.04974	27.0
83.08604	32.9
85.02881	5.7
85.06539	3.5
86.18494	2.4
91.05468	90.6
91.06044	4.4
93.07030	86.6
95.04952	78.1
95.08591	48.4
97.06523	11.7
97.10155	11.4
99.04430	8.2
99.08092	2.4
103.05468	4.8
105.07014	74.3
106.07315	2.3
107.04935	22.8
107.08577	45.3
109.06508	17.7
109.10143	14.8
111.04422	12.7
111.08077	11.8
117.07005	20.5
119.08554	50.1
121.06477	9.7
121.10138	19.6
123.08067	9.9
123.11702	4.2
125.09592	11.0
128.06178	5.0
129.06984	24.0
130.07765	3.4
131.08537	24.8
133.06480	3.4
133.10117	28.1
135.08034	6.2
135.11670	8.9
137.09578	6.3
141.07013	2.7
143.08539	14.2
145.06541	2.6
145.10081	26.9
147.08026	7.5
147.11659	41.2
149.09610	24.4
149.13237	2.9
157.10138	4.8
159.11635	11.6
161.09573	6.9
161.13264	14.1
163.11171	25.4
165.12753	6.0
169.10097	6.9
171.11649	30.2
173.09616	3.4
173.13277	4.7
175.11226	3.6
177.12700	3.4
181.12206	2.0
187.11124	4.5
187.14854	2.6
189.11124	7.1
189.12733	11.8
189.14374	1.9
193.12137	2.7
205.12224	5.9
207.13754	25.8
223.13255	39.6
223.15320	3.9
225.14862	4.7
227.12715	6.9
229.19577	3.6
231.14140	2.0
231.83347	2.1
239.17935	4.5
247.20454	3.2
257.19006	9.0
273.18506	2.3
273.92395	2.0
275.20016	76.3
281.17422	30.1
293.11810	2.2
293.21100	21.2
349.23538	19.5
367.24606	2.4
555.36786	28.0
573.37848	59.7
573.47308	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	573.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01868	6.3
55.05503	28.0
57.03437	5.9
57.07055	1.5
60.30599	1.1
61.79962	1.1
65.03926	4.9
67.05492	64.1
69.03417	2.3
69.07053	20.0
70.22737	5.7
71.04986	3.8
73.06562	1.4
77.03901	1.4
79.05476	69.6
81.03403	8.3
81.07040	100.0
83.04969	14.2
83.08606	14.7
85.06519	4.2
87.04469	1.2
91.05463	55.5
93.03401	1.2
93.07027	55.5
95.04949	24.2
95.08591	33.7
97.06517	9.5
97.10162	4.5
98.21774	1.2
99.08095	1.8
103.05432	1.9
105.04505	1.7
105.07008	50.4
107.04941	14.3
107.08575	25.9
109.06493	19.7
109.10123	10.3
111.04430	1.5
111.08057	5.5
115.05426	1.9
117.06989	11.7
119.08553	29.6
121.06453	6.6
121.10123	14.4
123.08036	8.0
123.11690	8.4
125.09618	2.5
128.06215	3.8
129.06984	14.9
131.08551	14.2
133.06461	2.2
133.10098	19.7
135.08041	3.0
135.11705	5.9
137.09595	4.7
141.06996	2.0
143.08554	8.0
145.10098	17.9
147.08032	2.9
147.11658	34.6
149.09579	6.8
149.13228	5.5
151.11136	1.7
155.08589	3.1
157.10094	4.5
159.11673	6.9
161.09605	4.2
161.13258	8.0
163.11136	8.0
163.14828	1.6
165.12770	7.1
169.10107	2.4
171.11642	18.6
173.13263	4.9
175.11137	1.9
177.12683	3.7
179.14288	2.0
183.11609	2.2
185.13220	2.3
187.11221	2.2
187.14865	1.4
189.12628	8.9
191.14218	1.6
207.13785	14.0
229.14189	1.3
229.19370	2.6
239.17929	2.4
247.20520	3.4
257.19049	6.1
267.15915	3.1
275.20001	49.1
276.20367	1.7
279.15689	1.9
281.17438	20.7
293.21069	5.6
322.65277	1.6
335.14725	1.1
349.23727	13.1
449.30460	1.8
467.31372	3.3
481.32977	1.9
485.32687	1.5
544.44171	1.4
555.36853	19.9
573.37946	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	573.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.1
53.03937	6.6
55.01861	7.2
55.05501	23.4
57.03419	4.4
57.07061	2.1
65.03921	3.4
67.05494	57.3
67.10176	0.9
69.03401	2.1
69.07055	20.1
71.04956	3.5
73.06543	1.3
79.05480	67.5
81.03406	8.9
81.07041	100.0
83.04968	10.5
83.08604	14.7
85.06525	3.6
91.05463	57.5
93.07029	51.8
93.07500	1.0
95.04953	21.2
95.08589	34.1
97.06524	9.5
97.10160	3.9
99.08078	3.7
103.05456	2.4
105.04509	1.7
105.07009	46.4
106.07306	1.3
107.04936	12.6
107.08576	23.0
109.06499	23.1
109.10133	11.0
111.08093	3.3
115.05437	1.8
117.07001	11.4
119.08558	34.7
121.06487	3.9
121.10120	13.1
123.08031	8.0
123.11680	8.2
125.09650	1.4
127.07529	2.3
128.06232	1.8
129.06985	12.0
130.07724	1.3
131.08551	10.8
133.06419	1.6
133.10104	15.5
135.08038	3.3
135.11673	6.9
137.09599	3.8
141.06905	1.9
142.07782	1.3
143.08516	6.2
145.06416	1.2
145.10114	15.3
147.08000	2.7
147.11653	40.0
149.09576	5.1
149.13248	6.1
151.11163	1.8
157.10114	3.8
159.11693	7.7
161.09604	3.1
161.13229	9.2
163.11174	8.2
163.14795	1.8
165.09010	1.1
165.12706	5.0
169.10120	1.2
171.11650	17.6
173.09631	1.1
173.13268	3.3
175.11171	3.0
175.14822	2.0
177.12750	1.6
179.14340	1.2
189.12683	10.1
193.12167	2.1
201.12881	1.3
207.13780	15.8
225.14786	2.0
229.19493	2.8
239.17982	1.7
247.20540	3.5
257.18927	5.3
257.35938	1.0
265.21710	1.1
267.15897	3.4
273.19119	1.1
273.22107	1.7
275.20016	50.1
281.17413	20.2
293.21100	8.4
293.70285	1.1
320.79965	0.9
349.23679	14.9
367.24606	1.1
445.30515	1.5
449.97220	1.5
453.77612	1.1
463.31610	1.5
481.32504	1.2
555.28833	1.7
555.36725	19.5
573.37762	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	573.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03934	6.5
55.01866	10.1
55.05502	27.6
55.39233	0.9
57.03424	7.0
57.07059	2.7
57.19360	1.0
61.59326	0.9
62.57428	0.9
65.03926	3.9
67.05494	59.6
69.03422	1.8
69.07056	21.2
71.04984	3.6
71.16399	3.2
73.01583	1.0
73.06180	1.0
77.03912	1.2
77.64220	1.0
79.05480	68.5
81.03401	8.5
81.07043	100.0
83.04974	13.1
83.08607	18.1
85.06523	3.4
91.05466	54.8
93.07028	54.3
95.04956	22.7
95.08587	35.2
97.06525	13.0
97.10146	4.7
99.08060	2.0
103.05445	1.2
104.07339	1.0
104.85115	1.0
105.07014	51.9
107.04932	13.3
107.08573	23.3
107.09130	0.7
109.05737	1.6
109.06499	30.1
109.10153	12.2
111.08067	4.4
116.16426	1.0
117.06987	13.7
119.08565	35.7
121.06499	5.7
121.10111	15.9
123.08044	9.3
123.11698	7.3
125.09566	2.4
128.06209	2.0
129.06978	12.4
131.08557	15.3
133.06483	1.9
133.10103	19.8
135.08043	5.6
135.11652	7.9
137.09595	3.5
139.11125	1.7
141.06992	1.7
142.07802	1.1
143.08546	7.4
145.06421	2.0
145.10106	17.3
147.08023	3.4
147.11661	35.4
149.09592	8.9
149.13223	8.1
151.07481	1.5
151.11168	2.8
155.08476	2.1
157.10103	4.5
159.07999	1.8
159.11671	8.1
161.09595	3.7
161.13220	9.1
163.11195	9.6
163.14792	2.0
165.12755	4.8
167.41570	1.0
169.10123	3.4
171.11671	16.2
173.09509	1.3
173.13229	5.6
175.11115	2.7
175.14752	2.0
177.12802	2.1
179.14290	2.1
183.11641	2.2
187.11090	1.6
187.14856	1.6
189.12737	6.4
191.14380	1.3
193.12282	3.5
197.13188	1.5
201.12717	1.5
207.13806	11.3
219.13762	1.6
223.13220	1.1
225.14818	1.7
227.12749	1.6
229.14235	1.9
229.19527	3.6
239.17944	2.2
247.20586	5.4
257.18964	4.5
267.15939	3.3
275.20013	67.6
281.17419	30.8
293.21002	6.0
313.27414	1.4
327.23291	2.6
349.23630	18.6
349.27832	1.0
367.24847	1.5
446.80109	1.2
481.32956	2.5
486.22046	1.1
511.19672	1.2
537.35455	2.0
555.36786	26.0
573.37866	19.6
573.47717	1.5
583.10010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.2
55.01860	23.6
55.05500	37.4
57.03431	7.9
57.07059	2.0
59.04984	2.3
60.02535	1.8
65.03915	4.9
67.05492	73.3
69.03409	4.0
69.07058	33.9
69.97115	7.0
69.97523	3.6
71.04974	5.4
73.06550	2.0
75.99505	1.9
77.03889	2.4
79.05476	100.0
81.03398	10.4
81.07040	90.5
83.04967	18.0
83.08611	18.2
85.06522	4.5
88.30573	1.7
91.05463	81.9
93.07027	81.7
95.04950	34.6
95.07996	3.5
95.08586	50.5
97.06523	30.3
97.10143	14.1
98.20670	2.3
99.08115	2.0
103.05431	3.4
105.04467	2.9
105.07008	79.9
107.04934	30.7
107.08572	48.3
109.06506	13.6
109.10127	15.4
111.08055	6.9
115.05456	3.2
117.06995	24.7
119.08552	51.1
121.06465	7.6
121.10099	19.4
123.08070	10.8
123.11713	4.4
125.09602	10.7
128.06235	3.6
129.06998	22.7
131.08524	22.8
133.06458	2.7
133.10103	32.6
135.08052	4.9
135.11658	11.3
137.09592	6.1
141.06937	2.2
142.07787	1.6
143.08531	14.1
145.10089	29.1
147.08003	6.5
147.11656	48.2
149.09596	30.0
149.10782	2.1
149.13210	3.7
155.08463	4.4
157.10117	5.9
159.08008	3.1
159.11690	11.7
161.09554	4.8
161.13228	14.6
163.11130	10.4
165.12691	2.0
169.10109	4.3
171.10217	2.1
171.11644	27.3
173.09607	3.1
173.13188	9.0
175.11145	2.7
177.12692	3.1
179.14314	2.5
183.11641	3.8
185.13289	3.6
189.11314	8.3
189.12567	8.3
195.11633	3.0
201.12852	1.7
207.13754	23.9
209.13269	2.6
227.12701	20.1
229.19482	6.2
239.17899	4.9
247.20509	3.9
257.18967	12.2
267.15887	3.0
273.18539	1.7
275.20010	96.3
279.15799	1.9
281.17410	45.4
291.19507	2.9
293.21054	6.6
331.22495	4.1
349.23694	30.1
377.23285	4.7
451.26535	3.6
459.31268	2.2
463.32056	2.8
467.99442	2.0
475.30655	4.4
537.34979	2.7
555.36774	39.9
573.38074	20.5
573.48114	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	573.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06865	2.2
53.00294	4.5
53.03939	10.8
55.01863	20.3
55.05500	52.0
55.92749	1.9
57.03409	7.1
57.07061	6.7
59.04981	5.3
64.08967	1.9
65.03924	4.8
67.05143	4.6
67.05494	80.9
69.03419	5.1
69.07056	38.1
70.60666	7.1
71.01328	3.9
71.04970	9.2
77.03906	2.3
79.05479	84.7
81.03402	19.5
81.07042	91.6
83.04986	13.0
83.08604	33.1
85.02896	2.2
85.06513	5.5
89.88008	2.2
91.05465	96.8
93.07030	70.4
95.01299	5.4
95.04958	27.6
95.08585	47.9
97.02872	7.8
97.06512	20.0
97.10146	17.8
99.00809	18.7
99.04415	3.3
103.05453	7.3
105.03370	2.4
105.07011	100.0
105.07717	5.3
107.04942	29.6
107.08573	67.2
109.02864	18.0
109.06512	23.1
109.10130	25.6
109.90350	2.3
111.04440	6.2
111.08031	11.2
113.09676	3.4
115.03886	6.0
115.05450	3.5
117.07000	31.0
119.04881	4.3
119.08559	52.5
121.06492	19.0
121.10133	23.9
123.04362	3.1
123.08051	7.8
123.11691	7.8
125.09624	13.7
127.03867	2.3
128.06198	4.9
129.06973	17.2
130.07718	2.6
131.08543	39.9
133.06483	5.7
133.10104	72.9
135.08060	14.1
135.11673	17.6
137.05931	3.4
137.09622	5.9
139.07516	5.6
141.06989	3.6
142.07758	2.4
143.08522	23.8
145.06476	5.2
145.10104	55.6
147.08040	8.0
147.11671	25.1
149.09612	28.1
149.13245	6.5
151.07561	1.9
151.11162	13.9
153.12704	2.9
155.08549	9.4
157.10147	13.7
159.07980	5.6
159.11656	18.1
161.09596	29.2
161.13226	9.1
163.11162	21.0
165.09032	3.5
169.10092	10.7
171.08034	5.9
171.11609	13.8
173.09566	3.3
173.13200	10.0
175.11115	5.7
175.14804	3.0
177.12794	3.5
179.08539	2.5
179.09073	2.6
179.10641	18.8
179.14291	8.1
181.10132	4.5
181.12164	4.0
183.11618	10.0
185.09579	2.9
185.13217	5.9
187.11162	4.9
189.09123	14.3
189.11194	6.7
189.12775	4.0
191.10907	2.4
193.12296	3.9
195.11676	2.8
197.11671	4.8
197.13277	6.4
207.10159	6.0
209.11618	2.4
212.09044	2.4
217.15959	2.5
225.11188	17.0
227.12755	12.9
229.19423	4.8
239.17886	12.4
243.12257	3.0
247.20573	4.9
257.18939	30.9
261.21964	2.5
273.18491	9.6
275.20029	98.6
281.13818	8.7
283.15411	2.6
285.18460	3.0
291.19519	12.1
293.21048	6.5
299.14780	11.5
301.21533	4.3
311.19891	3.4
329.20993	10.8
331.19205	2.2
331.22412	11.6
347.22433	3.3
349.23608	6.8
351.18958	2.3
417.27933	3.3
427.11295	2.4
445.26974	3.3
463.28223	5.8
481.29556	8.9
499.30255	4.9
527.33362	5.8
545.34839	2.8
555.33008	23.6
573.34100	94.5
573.48450	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	573.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03159	0.4
53.03933	0.5
54.17472	0.2
55.01870	0.5
56.68377	0.3
60.45228	0.2
65.03929	1.8
67.05499	1.5
69.03420	0.5
69.64633	2.2
73.02877	0.3
77.03964	0.3
80.96561	0.2
85.02914	0.5
95.04958	1.4
99.49683	0.3
105.04488	0.3
108.02084	2.4
109.02865	0.7
111.04430	0.5
112.01565	0.4
123.04373	0.3
127.03916	0.5
136.01595	0.3
141.05457	3.1
144.78815	0.3
151.03885	100.0
151.04944	6.2
152.04224	1.0
153.01735	0.3
155.04872	0.6
183.04443	0.8
197.26547	0.3
201.05438	0.3
211.03860	2.5
225.05630	0.3
229.04849	1.3
239.03558	0.4
250.87672	0.3
257.04407	15.1
258.04706	0.3
261.03906	1.8
263.01901	0.3
267.02811	1.0
271.05969	0.9
273.03873	6.4
274.04645	0.4
281.04474	0.4
285.03897	38.7
286.04187	0.9
297.03922	0.8
298.04782	0.3
299.05466	2.6
303.04962	6.3
303.08197	0.5
313.09320	2.6
327.04974	3.8
339.04871	1.9
351.04883	0.9
357.06070	0.7
369.06052	4.1
374.61484	0.3
387.07025	1.5
405.08087	1.9
409.09259	0.4
423.09195	0.6
453.08130	1.0
499.58026	0.3
573.25940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03934	8.4
55.01865	14.3
55.05238	1.9
55.05505	33.8
57.03423	10.2
57.07060	1.8
59.05017	1.1
65.03922	5.2
67.05496	71.2
69.03420	4.1
69.07063	21.4
71.04984	5.5
73.06527	1.0
79.05482	91.4
81.03414	17.4
81.07045	100.0
83.04968	17.8
83.08616	16.5
84.08157	1.1
85.02891	4.8
85.06525	3.9
86.09675	1.1
91.05468	77.3
93.07031	72.0
94.04253	1.1
95.04955	34.6
95.08596	37.5
97.02875	2.2
97.06516	8.5
97.10146	12.2
99.04463	2.4
99.08097	3.0
103.05443	2.8
105.03387	1.8
105.04534	2.2
105.07018	58.5
107.04943	22.1
107.08577	28.3
109.06500	27.4
109.10143	14.9
111.04428	7.3
111.08053	7.8
113.05971	1.1
115.05455	4.5
117.07003	24.4
119.04910	1.4
119.08562	44.4
120.08889	1.1
121.06477	12.3
121.10133	14.8
123.08052	13.4
125.09624	9.2
128.06239	5.1
129.06979	22.8
130.07771	1.9
131.04907	1.2
131.08543	24.3
133.06468	6.7
133.10095	16.2
135.04408	1.3
135.08043	10.1
135.11678	10.1
137.09584	7.3
141.06999	3.0
142.07805	3.6
143.08540	18.7
145.06497	8.0
145.10089	26.1
147.08035	14.9
147.11658	27.6
149.09596	8.0
149.13364	1.3
151.11159	2.4
153.09058	1.8
153.12732	2.9
155.08514	6.0
156.09361	2.4
157.06487	2.3
157.10112	9.7
159.08031	6.5
159.11690	9.5
161.09596	21.4
161.13237	11.3
163.11148	15.6
165.09128	3.7
165.12743	3.0
167.08530	2.2
169.10098	4.7
171.08067	2.5
171.10278	1.7
171.11659	25.8
173.09656	4.4
173.11763	1.5
173.13271	3.7
175.11124	5.4
175.14844	1.3
177.12775	2.8
179.14294	1.7
181.10115	3.7
181.12248	3.4
183.11690	3.6
185.09627	2.6
185.13266	4.9
187.11209	4.4
189.09383	1.1
189.11192	6.1
189.12781	8.9
191.10738	2.8
191.14355	1.4
193.12270	1.4
195.11630	3.6
197.13297	2.0
199.11153	3.0
199.14807	2.9
203.10619	1.2
205.12239	3.7
207.11865	1.2
207.13759	17.3
209.13228	3.0
211.14882	2.1
212.90906	1.1
215.85858	1.1
217.15843	1.4
223.13217	2.2
227.12640	8.7
227.17865	2.5
237.16531	1.6
245.18968	7.6
249.14705	1.4
255.17439	7.4
271.16931	2.8
271.20294	1.4
273.18451	72.6
275.20102	4.9
279.15894	4.8
281.17444	25.5
283.15652	1.2
291.19510	40.1
309.22153	1.4
311.20044	1.8
327.23175	1.7
329.21231	3.0
347.22165	17.4
365.23340	2.9
445.29565	1.5
461.30270	2.6
479.31497	4.2
497.32620	3.4
515.34180	1.4
535.33655	2.8
553.35266	18.1
554.35754	1.2
571.36212	54.6
572.36450	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.0
53.77051	0.7
54.05600	0.8
55.01860	8.7
55.05234	1.4
55.05501	23.9
56.94846	0.8
57.03413	3.0
57.07062	1.5
58.83252	0.7
65.03928	4.3
65.92081	0.7
67.05492	50.6
69.03419	6.7
69.07056	26.8
70.34377	1.2
70.34791	2.7
71.04974	2.8
73.06543	0.8
75.16387	0.7
77.03920	0.7
79.05481	53.7
81.03408	7.5
81.07042	41.3
83.04958	10.1
83.08607	8.3
85.02897	0.9
85.06524	2.1
91.05464	45.1
92.05813	0.7
93.07029	41.7
95.04951	17.9
95.08588	22.5
97.02875	6.5
97.06499	7.5
97.10140	9.8
98.21424	0.9
98.57385	0.7
99.08031	0.9
103.05453	1.6
104.06272	0.8
105.04493	0.9
105.07010	33.1
106.07267	1.0
107.04936	13.9
107.08566	19.4
109.06487	6.7
109.10133	9.1
110.74961	0.7
111.08053	2.7
115.05430	2.5
117.07005	13.1
119.04964	1.7
119.08557	22.5
120.05679	0.7
121.06497	4.5
121.10128	6.6
123.04344	0.7
123.08057	7.1
125.09582	5.9
128.06215	3.1
129.06970	11.7
130.07776	1.8
131.04877	1.1
131.08546	9.6
133.06459	5.3
133.10117	10.5
135.08026	3.0
135.11668	3.4
137.09599	2.4
141.06949	2.3
142.07770	1.7
143.08533	8.3
145.06488	2.3
145.10095	9.8
147.08011	5.8
147.11656	17.2
149.05983	1.8
149.09566	2.8
149.13248	2.9
151.11116	0.9
153.09016	0.9
155.08514	2.4
156.09358	1.0
157.10104	3.2
159.08025	1.5
159.11626	5.6
161.09598	3.9
161.13249	5.1
162.10367	1.1
163.11098	1.8
165.09096	1.6
167.08510	0.9
169.10114	2.7
171.11655	13.3
173.09602	0.9
173.13277	1.2
175.11159	5.4
175.14803	0.8
177.12740	2.0
179.08485	0.8
179.14288	1.2
181.10110	1.0
183.11635	2.0
185.09708	1.1
185.13228	2.2
187.11115	1.6
187.14722	1.6
189.11169	2.4
189.12721	4.6
195.11642	1.0
195.13756	1.4
197.13206	1.3
197.30739	0.7
199.56989	0.8
201.12820	0.9
205.12180	1.1
207.13754	9.9
211.14703	0.8
223.13234	11.6
225.14836	2.2
227.12704	1.3
227.17987	1.3
237.16354	0.9
245.18967	2.0
249.14841	3.1
255.17287	0.8
273.18448	20.0
275.20081	2.7
279.15878	2.6
281.17422	4.1
291.19485	71.3
292.19867	2.7
303.15714	0.9
347.22198	2.6
365.22989	1.7
441.65158	0.9
553.36047	3.2
571.36127	100.0
572.36377	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	571.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.4
54.24174	1.2
55.01866	14.0
55.05502	29.8
57.03428	31.3
57.07069	2.8
65.03935	7.5
65.04219	1.4
67.05495	91.2
67.34686	1.2
69.03408	3.4
69.07056	14.6
70.54864	2.8
70.55250	4.7
71.04973	6.7
73.06558	2.0
79.05480	85.7
81.03401	12.8
81.07043	72.3
83.04962	15.6
83.08621	8.3
85.02897	3.2
85.06536	19.9
91.05465	85.4
93.07025	71.6
95.04951	76.4
95.08594	40.4
97.06516	10.1
97.10155	6.4
103.05453	2.9
105.04509	2.7
105.07011	64.0
107.04937	20.7
107.08575	33.2
109.06501	79.7
109.10143	10.0
111.04406	2.7
111.08079	5.0
113.05988	47.2
115.05414	3.6
117.07006	22.4
119.04926	2.5
119.08554	36.9
121.06503	8.1
121.10119	11.3
123.08056	11.5
123.11681	2.4
125.09606	2.7
128.06201	7.0
129.06975	24.0
130.07774	2.5
131.08551	30.9
133.06490	6.8
133.10106	19.1
135.08031	44.8
135.11678	12.2
137.09599	5.0
141.06987	4.6
142.07822	2.6
142.67551	1.5
143.08531	19.9
145.06490	4.9
145.10100	25.9
147.08051	12.1
147.11665	24.9
149.09569	8.2
149.13231	4.9
153.09070	2.6
155.08537	3.8
155.77069	1.3
157.10100	10.1
159.08035	6.6
159.11665	12.8
161.09587	15.2
161.13240	9.4
163.11145	9.4
165.09117	2.5
167.08640	1.6
169.10144	5.7
171.11670	23.3
173.09599	2.7
173.13234	5.0
175.11177	4.9
177.12750	7.2
179.14310	3.0
181.10110	3.3
183.11676	4.8
185.09663	1.9
185.13324	2.9
187.11209	6.2
187.14890	1.7
189.11217	2.4
189.12738	8.3
195.11789	1.4
195.13803	3.5
197.13181	1.8
199.11183	3.1
199.14728	7.3
201.12761	3.0
207.13728	13.4
209.13297	1.5
211.14738	2.3
217.15851	18.4
219.13707	1.5
223.13168	2.0
225.14854	2.4
227.17758	1.6
233.15376	2.0
237.16399	5.0
241.14191	2.1
245.19038	5.1
255.17485	4.2
263.16483	2.6
273.18457	58.6
275.20001	7.8
279.15833	13.6
281.17422	13.9
291.19489	100.0
292.20135	1.9
309.20670	2.0
329.21362	1.7
347.22137	10.1
365.23337	3.6
497.32788	2.2
553.35382	12.5
571.36267	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05500	0.8
57.07026	0.3
65.11237	0.3
67.05495	1.8
69.03424	0.3
69.07063	0.6
69.88504	0.3
69.88783	0.6
69.89198	1.2
72.69321	0.3
79.05503	1.7
81.03403	0.5
81.07053	2.1
83.01100	0.4
83.04956	0.4
83.08610	0.9
84.56488	0.3
85.23470	0.3
91.05460	1.8
93.07021	1.3
95.04960	1.0
95.08595	0.6
97.02887	0.4
97.10202	0.3
105.07007	1.4
107.04940	0.4
107.08608	0.7
109.06499	0.8
109.10171	0.6
117.07008	1.0
119.08564	1.0
121.02879	0.4
121.10092	0.6
123.08104	0.4
131.08575	1.3
132.74855	0.3
133.10158	0.8
135.07971	0.3
143.08577	0.6
145.10101	0.9
147.11671	0.4
149.09662	0.5
157.10129	0.5
159.08003	0.3
159.11784	0.3
163.11104	0.3
185.04224	0.3
201.03807	0.4
203.05176	0.7
209.11583	0.3
243.14397	0.7
259.07825	1.1
281.17209	0.4
331.10156	1.6
335.21738	0.4
353.21832	0.4
409.25516	2.1
443.22006	0.5
502.48477	0.3
526.80884	0.4
571.30780	100.0
572.31055	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92738	0.3
55.01855	0.4
55.05502	1.0
61.02911	0.4
62.99930	0.3
67.05501	2.0
67.91860	0.3
69.07047	0.7
70.06580	0.4
74.30499	0.3
77.00964	0.3
79.05464	1.6
81.03419	0.4
81.07062	1.8
82.22433	0.3
83.05005	0.5
83.08559	0.4
91.05450	1.5
93.07041	1.6
95.04955	0.7
95.08599	1.0
97.06505	0.5
97.10165	0.4
105.07040	1.5
107.04942	0.6
107.08570	0.8
109.06523	0.5
109.10115	0.4
117.07018	0.4
119.08549	0.8
121.02818	0.3
121.10164	0.3
123.11652	0.4
125.09615	0.3
129.07028	0.4
129.33052	0.3
131.08562	0.7
133.10133	0.6
135.08012	0.4
145.06560	0.3
145.10078	0.8
149.09569	0.4
156.31516	0.3
171.11661	0.3
187.18376	0.3
193.12065	0.4
203.05263	0.9
253.12740	0.5
259.07870	0.9
271.14172	0.4
273.18533	0.4
285.03644	0.3
314.79413	0.3
331.09915	0.4
409.25543	1.5
437.25040	0.3
457.20218	2.9
468.82230	0.3
471.21881	2.6
487.21866	0.5
517.36780	0.3
519.82037	0.3
571.30792	100.0
572.31110	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.2
57.03430	2.7
65.03923	3.0
68.99775	2.3
71.15632	4.4
81.03406	5.3
85.02905	10.5
93.03381	8.0
95.04923	2.4
97.02850	2.0
103.24698	2.0
107.04919	9.8
109.02862	7.0
117.07048	3.4
119.04948	2.5
121.02850	100.0
123.04395	5.4
131.04900	5.6
132.33745	2.0
133.02809	2.5
133.06468	3.2
135.04376	7.2
139.03888	2.1
145.06454	5.0
147.04408	4.7
149.02350	5.6
149.05968	3.0
151.03876	4.7
151.87411	2.5
159.04399	5.4
161.02325	2.6
161.05988	4.4
163.03874	5.9
164.50642	1.9
165.01811	4.2
171.04422	2.6
173.02354	4.7
173.06004	10.1
175.00247	3.5
175.03877	4.6
177.01797	11.7
177.05417	5.4
185.05977	2.3
187.03867	9.7
187.07381	2.1
189.01782	20.5
189.05421	3.7
191.03281	9.5
193.01408	2.5
195.02858	26.3
201.01805	6.7
201.05472	7.6
203.03355	6.5
205.01276	4.7
205.04895	2.8
207.02827	23.0
213.05402	4.5
215.03378	9.3
217.01300	2.8
217.04959	4.2
219.02840	51.2
221.00783	4.9
221.04462	5.0
223.02371	8.9
225.03859	6.1
227.03322	4.7
229.04935	10.5
231.02832	25.0
233.04436	11.6
237.03845	7.5
239.03406	2.6
241.04977	2.4
243.02853	29.4
245.04510	5.9
247.02090	2.1
249.03856	11.3
253.05260	3.2
255.02876	12.8
256.03604	2.4
257.04468	7.8
259.02328	4.3
259.06207	4.9
261.03888	40.0
269.04410	5.8
271.06039	7.7
273.03912	24.5
281.04462	7.3
283.05948	7.9
285.03909	19.1
289.07007	2.9
291.04944	10.9
295.06046	10.8
297.03882	14.1
299.05432	7.9
301.06985	6.9
303.04886	12.2
309.03894	6.8
312.78052	2.0
313.07007	17.7
315.05008	5.9
321.06204	3.8
325.06973	13.6
327.04984	14.1
331.08102	3.1
337.06958	21.1
339.04819	5.6
345.05679	2.8
349.07034	10.4
355.08118	24.3
357.06134	4.7
361.07129	4.9
363.07040	2.3
367.08035	30.8
369.05948	2.9
379.08029	27.1
380.08591	2.4
385.09119	6.2
391.08029	22.6
397.09058	18.3
401.08524	5.9
403.10370	23.2
409.08789	2.6
415.10184	14.9
421.09106	25.8
423.09781	2.4
433.10867	14.3
439.10226	17.3
445.09317	2.4
451.10098	11.8
457.11230	11.3
463.09976	6.5
469.11230	32.3
470.11932	2.7
481.11105	6.6
499.12308	8.5
517.13263	8.1
535.13794	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	571.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
57.03430	0.9
65.03925	1.9
69.03417	3.6
70.06568	4.6
72.08144	1.8
77.03967	0.8
79.05479	9.5
81.03396	3.1
81.07042	0.9
84.08120	1.7
84.18909	0.7
85.02887	9.2
86.09689	2.9
91.05454	3.8
93.07039	1.4
95.04964	2.5
97.02878	2.5
97.87035	0.8
98.20698	1.5
99.10043	0.7
103.05450	32.8
105.07020	1.9
107.01293	1.1
107.04945	15.8
109.02872	2.2
111.04419	1.3
115.05429	4.6
117.06993	24.6
119.04959	1.4
120.08118	2.1
121.02846	54.7
123.04422	1.4
127.03889	4.7
129.06920	0.9
129.50435	0.7
131.04904	100.0
136.07599	0.8
137.05951	42.7
138.06293	14.3
142.45163	0.9
145.04880	1.0
145.06433	4.2
147.04376	2.1
149.05943	1.4
149.09631	1.2
151.03914	3.1
153.01831	2.7
155.04866	1.9
155.08539	0.8
161.05954	1.1
163.03876	2.7
163.07602	1.9
167.07011	1.6
177.01794	4.0
181.08560	4.1
182.08907	2.0
183.04375	1.1
193.04831	1.1
193.08582	1.4
195.02901	2.9
201.05421	0.7
203.03455	0.9
205.07043	2.2
211.03908	6.0
217.04930	1.2
219.02827	3.1
225.05421	1.4
229.04991	4.2
229.77946	1.2
243.02855	1.2
245.04387	1.4
253.04955	1.0
257.04401	34.1
258.05099	1.2
260.03229	2.3
261.03879	8.1
263.01843	2.0
267.02875	2.6
271.06000	3.4
273.03891	61.7
274.04559	3.4
281.04379	1.3
283.08170	3.6
285.03888	85.1
286.04193	1.8
293.10144	5.9
295.06149	1.3
297.03894	2.8
299.02118	1.3
299.05423	8.5
301.03299	1.9
303.04926	35.8
313.06918	8.6
315.04874	0.9
323.05368	1.0
327.04953	11.6
339.04987	3.2
345.07428	1.4
349.06894	1.7
351.04913	2.7
357.06180	2.2
369.05933	9.9
373.07028	10.1
387.08490	13.3
389.09930	1.8
397.08997	1.1
401.91147	0.9
405.09259	7.0
415.07965	5.1
433.09088	20.3
451.10019	2.4
535.12299	1.6
546.88422	0.8
553.13214	3.7
571.26746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
57.03430	0.9
65.03925	1.9
69.03417	3.6
70.06568	4.6
72.08144	1.8
77.03967	0.8
79.05479	9.5
81.03396	3.1
81.07042	0.9
84.08120	1.7
84.18909	0.7
85.02887	9.2
86.09689	2.9
91.05454	3.8
93.07039	1.4
95.04964	2.5
97.02878	2.5
97.87035	0.8
98.20698	1.5
99.10043	0.7
103.05450	32.8
105.07020	1.9
107.01293	1.1
107.04945	15.8
109.02872	2.2
111.04419	1.3
115.05429	4.6
117.06993	24.6
119.04959	1.4
120.08118	2.1
121.02846	54.7
123.04422	1.4
127.03889	4.7
129.06920	0.9
129.50435	0.7
131.04904	100.0
136.07599	0.8
137.05951	42.7
138.06293	14.3
142.45163	0.9
145.04880	1.0
145.06433	4.2
147.04376	2.1
149.05943	1.4
149.09631	1.2
151.03914	3.1
153.01831	2.7
155.04866	1.9
155.08539	0.8
161.05954	1.1
163.03876	2.7
163.07602	1.9
167.07011	1.6
177.01794	4.0
181.08560	4.1
182.08907	2.0
183.04375	1.1
193.04831	1.1
193.08582	1.4
195.02901	2.9
201.05421	0.7
203.03455	0.9
205.07043	2.2
211.03908	6.0
217.04930	1.2
219.02827	3.1
225.05421	1.4
229.04991	4.2
229.77946	1.2
243.02855	1.2
245.04387	1.4
253.04955	1.0
257.04401	34.1
258.05099	1.2
260.03229	2.3
261.03879	8.1
263.01843	2.0
267.02875	2.6
271.06000	3.4
273.03891	61.7
274.04559	3.4
281.04379	1.3
283.08170	3.6
285.03888	85.1
286.04193	1.8
293.10144	5.9
295.06149	1.3
297.03894	2.8
299.02118	1.3
299.05423	8.5
301.03299	1.9
303.04926	35.8
313.06918	8.6
315.04874	0.9
323.05368	1.0
327.04953	11.6
339.04987	3.2
345.07428	1.4
349.06894	1.7
351.04913	2.7
357.06180	2.2
369.05933	9.9
373.07028	10.1
387.08490	13.3
389.09930	1.8
397.08997	1.1
401.91147	0.9
405.09259	7.0
415.07965	5.1
433.09088	20.3
451.10019	2.4
535.12299	1.6
546.88422	0.8
553.13214	3.7
571.26746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50332	6.8
69.50746	2.0
81.76055	1.0
82.99860	1.1
90.77025	0.9
97.02865	1.1
101.00866	6.5
107.75870	1.1
109.02825	1.0
113.00856	1.2
119.01904	23.8
127.02396	1.7
131.01875	9.8
133.03465	6.3
137.02930	2.6
139.02386	0.9
143.01869	22.7
145.03464	11.8
147.01344	1.6
147.04997	1.2
149.02975	2.8
155.01843	13.8
157.03394	6.6
159.01404	1.4
161.02939	31.3
163.04488	2.6
167.01801	6.7
168.99799	2.7
169.03413	2.5
171.01387	1.9
171.04999	2.5
173.02937	26.0
175.04495	4.5
177.02455	1.2
179.01894	3.1
184.04607	2.3
185.02930	40.7
187.00893	3.9
187.04543	5.1
189.02432	2.7
191.03958	3.3
197.02930	15.5
199.00836	3.1
199.04590	1.2
201.02502	2.9
203.03984	13.3
208.04442	1.1
209.02925	3.2
213.02313	1.4
215.00403	4.6
215.03972	9.9
217.01888	4.3
219.03485	3.3
221.05026	2.4
225.02615	1.1
227.03983	10.8
229.01884	2.7
231.03546	4.4
233.05029	1.2
239.04041	1.7
245.05037	100.0
246.05345	2.5
247.02933	2.9
249.04765	1.0
257.05048	5.2
259.02936	3.0
263.06097	12.6
271.02740	1.9
275.02438	3.9
275.06058	14.2
286.07666	1.7
289.04028	11.3
293.06964	4.7
301.03973	3.6
303.05420	1.4
305.07074	10.4
307.05017	12.1
315.05817	1.2
319.04984	5.0
330.06540	1.8
331.05038	3.4
333.06897	1.0
335.08051	5.5
337.06238	1.2
343.05231	1.2
349.06100	8.8
359.04562	3.6
361.05917	2.5
365.09186	14.8
377.05496	3.5
377.09885	1.0
391.06958	6.6
399.25070	0.9
409.08075	2.8
469.10452	1.2
511.10910	2.8
539.10474	3.2
546.06427	1.1
571.13477	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	571.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19929	1.1
71.20103	2.0
81.03402	1.0
82.99861	1.6
85.02879	2.0
97.02903	2.7
101.00847	7.9
109.02843	1.5
113.00846	1.2
115.02372	1.2
119.01893	32.0
121.02840	2.3
127.02377	1.9
131.01854	7.1
133.03430	5.2
137.01930	1.5
137.02946	3.8
143.01875	24.1
145.03453	17.9
147.01355	4.0
147.03105	1.6
147.05064	1.4
149.02953	2.2
153.01389	1.5
155.01860	15.5
156.03639	2.7
157.03448	7.3
161.02931	33.3
163.04555	2.7
167.01862	6.4
168.99844	2.7
169.03441	4.7
171.01382	3.3
171.05022	3.0
173.02945	31.0
175.04480	2.5
177.02399	2.1
177.05406	1.2
179.01915	3.2
181.03433	1.2
184.04593	2.8
185.01262	2.8
185.02925	47.6
186.03146	1.9
187.00867	6.3
187.04472	5.9
189.00850	1.1
189.02454	3.1
191.04016	5.2
196.04367	1.4
197.02943	18.9
199.00916	3.1
199.04361	2.1
201.02364	4.2
203.03978	15.1
208.04504	1.4
209.02930	2.6
212.04559	1.3
213.02513	1.3
213.57573	1.2
215.00433	5.1
215.03961	12.1
217.01953	5.3
219.01682	1.4
219.03564	2.5
221.05066	3.3
227.03966	10.8
228.05748	3.3
228.55881	3.8
229.05641	2.1
231.03453	3.8
237.06360	2.1
245.05043	100.0
246.05228	2.5
247.02950	4.0
249.04581	1.6
253.02153	1.3
257.05054	6.8
259.02982	3.5
263.06067	13.3
268.03650	1.8
270.55402	1.2
271.02933	3.3
273.04395	1.6
275.02689	3.7
275.06122	13.7
277.04199	1.4
277.99728	1.2
286.07547	1.9
289.04016	15.9
293.07169	4.0
298.04480	1.5
301.04022	3.7
303.05606	1.8
305.07150	10.4
307.05109	11.4
315.05621	2.0
319.05109	6.3
321.06744	1.3
331.05127	3.1
335.08182	5.7
349.06058	10.9
359.04514	2.7
361.06241	2.0
365.09344	13.9
373.05954	1.3
377.05484	4.3
391.07062	5.6
409.08060	2.7
469.10474	1.6
511.11450	1.9
539.11108	2.2
541.11902	1.2
571.13220	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	569.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11701	0.3
69.84265	1.7
69.84678	0.6
83.01083	0.4
86.26825	0.3
99.31487	0.3
175.36476	0.3
185.04161	0.6
203.05322	1.0
259.07889	1.4
315.58844	0.4
331.10068	0.8
350.00696	0.3
407.24042	1.3
457.20413	1.6
471.21906	2.0
487.21158	0.4
569.29224	100.0
570.29242	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	570.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05510	1.9
56.95110	1.1
57.03424	8.6
67.05486	2.3
69.03421	2.9
70.06577	3.3
71.04980	50.0
71.70309	2.5
72.08133	1.7
73.02890	2.4
75.04463	2.5
79.05466	1.4
81.03393	1.8
81.07077	1.4
83.04964	6.9
84.04481	1.8
84.08124	2.3
85.02889	70.9
86.09702	3.7
91.05462	100.0
93.07049	1.5
95.04913	1.6
95.08573	2.2
97.02882	4.3
103.03907	1.4
105.97501	1.4
111.04420	3.7
120.08118	1.6
127.03889	3.1
129.04530	2.5
129.05452	23.6
129.10191	1.4
147.06482	13.4
192.00481	1.2
193.08743	2.1
212.16521	1.5
235.16899	1.3
243.42041	1.2
245.08069	2.5
272.71649	1.5
547.64758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01858	0.3
57.03429	0.2
57.55537	0.2
67.05466	0.4
68.21378	0.3
69.03406	0.8
69.37346	1.4
69.37769	1.4
70.06592	1.1
72.08132	0.3
73.87672	0.2
78.04685	0.8
78.46160	0.2
79.05478	1.3
81.03395	0.9
81.07011	0.3
84.04489	0.3
85.02897	2.2
86.09676	0.8
91.05457	0.8
93.07011	0.4
95.04948	0.6
97.02869	0.8
103.05434	2.3
105.07004	1.2
106.04144	0.6
107.04939	3.9
109.02859	0.4
115.05417	0.2
117.06914	0.3
119.04901	0.5
120.08061	0.3
121.02844	0.6
121.06474	0.8
122.03631	0.3
123.04398	2.6
124.05186	1.1
124.55757	0.2
125.09557	0.3
127.03915	0.4
131.04900	6.4
131.08585	0.3
133.06464	1.2
136.07558	0.4
137.05951	0.6
147.04362	1.0
149.05959	1.9
151.03882	0.5
151.07520	0.4
152.04657	0.9
160.05130	0.2
161.05984	1.6
163.03842	0.7
163.07507	5.6
167.07007	100.0
168.07339	1.0
173.05846	0.3
175.07532	0.4
177.05356	0.4
179.07002	0.5
181.08533	1.0
189.09050	0.3
191.07045	0.3
193.08577	5.2
193.10234	0.5
205.08623	0.5
211.09618	10.0
236.37447	0.2
239.08995	0.5
257.04407	1.5
261.03934	0.3
271.05978	0.6
273.03986	0.4
285.03897	3.1
303.04715	1.2
311.05823	0.3
327.04846	0.3
337.12692	0.4
343.15427	0.2
358.34946	0.2
361.16394	0.9
373.16696	0.3
421.53281	0.3
451.10068	0.4
571.23297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95712	1.0
54.75258	0.9
56.96544	2.5
67.05486	1.4
71.70649	1.4
79.05492	1.1
81.07052	1.0
98.97571	2.8
108.19939	0.7
112.99088	1.4
116.98622	1.6
128.98528	1.0
131.00169	3.8
134.99652	1.0
143.00092	1.2
149.01204	4.4
158.99695	1.1
161.01155	0.8
167.02200	1.0
177.00682	1.3
182.49841	0.9
275.04312	1.6
293.05408	5.9
311.06558	1.0
315.16293	1.9
316.07016	0.9
333.17264	5.1
351.18234	4.1
354.61597	0.8
521.45020	0.9
551.25494	1.1
569.27173	100.0
570.27240	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	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95609	0.9
79.05482	0.3
79.98550	0.3
93.65450	0.3
101.54032	0.3
153.34009	0.4
156.87762	0.3
169.09889	0.3
184.12175	0.4
185.04184	0.8
201.03740	0.3
203.05238	1.2
226.56775	0.3
231.36536	0.3
259.07971	1.3
297.66669	0.3
321.16840	0.8
331.09952	0.9
333.19223	0.6
373.16513	0.3
401.01529	0.4
407.23911	1.9
418.79141	0.4
457.20239	0.6
481.24033	0.6
483.21994	4.7
569.29242	100.0
570.29407	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	569.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14721	0.3
70.31892	1.2
78.08463	0.2
83.01079	0.4
98.20777	0.4
99.77675	0.3
106.36562	0.3
146.70033	0.3
153.51111	0.3
158.98338	0.3
185.04218	0.8
201.03741	0.8
203.05203	1.4
205.66640	0.3
214.13345	0.3
259.07782	1.4
279.22769	0.3
331.10077	2.3
333.19971	0.5
335.33752	0.3
345.11462	0.4
387.16284	0.8
407.23996	2.3
416.03925	0.3
427.19418	0.6
441.21054	3.1
443.22577	1.1
457.20126	0.4
498.94824	0.3
499.21561	1.3
569.29242	100.0
570.29755	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	569.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01843	1.2
56.05004	0.5
57.03162	0.6
57.03423	6.9
58.66201	0.5
59.04968	0.7
65.03909	1.3
65.26799	0.5
66.04805	0.5
69.03416	22.1
70.06564	2.4
71.69581	1.0
72.08138	0.9
72.92280	0.5
73.02882	0.7
75.04446	0.9
81.03395	0.7
84.04469	0.7
84.08109	1.3
84.97594	0.5
85.02391	1.0
85.02892	15.3
86.09675	1.4
86.30700	0.6
87.03948	0.9
87.04451	10.1
91.05471	8.2
97.02875	10.2
101.02338	0.6
103.03906	1.3
109.02868	1.1
115.03922	6.7
119.04922	16.7
121.02827	1.2
121.06466	0.6
127.03934	0.8
133.04935	3.9
133.18721	0.5
137.05991	0.6
147.04382	61.1
149.05981	0.8
167.03374	1.8
167.06981	1.2
181.08534	0.5
187.03899	0.6
209.07957	0.8
210.08568	0.7
211.03778	1.4
215.06897	0.7
226.05754	0.6
228.04128	2.2
229.04868	1.6
231.02693	1.0
233.04454	1.4
241.04959	1.1
242.05812	1.2
243.06523	2.2
244.03682	1.6
244.59435	0.5
245.04466	1.8
246.05150	0.9
253.04887	0.7
256.03610	8.8
257.04388	6.7
258.04880	0.8
259.02316	1.6
260.03149	2.3
261.03946	1.3
266.05804	0.9
267.06458	0.7
268.03552	0.8
269.04144	0.7
270.05161	6.1
271.05969	19.6
272.03098	16.0
272.06131	1.0
273.03860	10.6
274.04648	6.2
275.05447	6.9
277.03372	1.1
281.04547	0.7
282.05035	0.9
283.05908	1.1
284.03113	6.9
285.03873	11.7
285.07501	6.6
286.04471	0.9
287.05444	90.3
288.06003	5.2
294.05042	1.6
295.05594	0.8
296.02927	1.2
297.03903	1.1
298.04636	11.7
299.05499	20.1
299.08951	1.9
300.05603	0.9
301.03271	0.8
301.06842	1.5
302.04224	5.2
303.04935	7.6
304.05228	0.9
305.05618	1.1
309.07523	2.1
310.04785	1.4
311.05435	3.3
312.06165	4.0
313.03403	2.2
313.06970	27.6
315.04834	0.9
317.06497	100.0
318.06784	1.8
322.04651	1.0
323.05447	1.0
324.06201	0.8
325.06845	2.3
327.04868	2.3
327.08557	8.4
337.07059	3.4
338.04016	1.4
339.05029	2.6
340.05371	0.6
341.06485	50.4
342.06769	1.1
350.04251	1.5
351.04724	1.0
353.06467	16.6
355.08136	2.2
357.06128	0.9
365.06522	8.6
369.05725	3.6
371.07513	22.3
383.07553	24.9
387.07120	1.3
401.08618	24.2
403.08102	2.0
405.08093	2.1
419.09653	43.1
420.09845	0.8
423.08954	1.4
431.07422	3.4
437.10693	8.3
443.09802	0.6
443.87100	0.6
449.08917	1.0
461.10593	0.9
533.12207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.03440	7.5
65.48515	0.9
69.03397	1.5
70.06580	7.2
71.04983	9.2
71.70019	1.7
72.08141	7.2
73.02906	4.7
75.04469	28.8
75.04894	1.4
81.03416	0.9
84.04480	1.1
84.08124	5.2
85.02891	16.0
86.09696	11.0
95.02245	0.9
97.02874	1.4
103.03938	1.5
110.07142	2.5
120.08081	2.6
121.02806	1.3
129.05499	2.2
129.10211	4.3
137.05997	1.8
147.04449	1.1
153.01794	1.3
185.16457	5.3
187.07153	1.1
203.03400	1.0
211.03896	2.2
213.16075	1.5
217.04904	1.2
219.02855	1.6
221.06059	1.3
225.05327	2.3
229.04839	3.1
229.11792	1.1
231.02846	1.0
233.04344	0.9
239.03424	1.1
245.04408	2.6
253.05040	1.7
256.03616	1.1
257.04382	20.9
260.03198	5.4
261.03851	7.1
263.01831	1.3
269.04343	1.3
271.03058	1.2
271.05948	7.2
273.03891	100.0
274.04669	8.5
281.04462	1.7
285.03928	17.4
287.01926	0.9
287.05408	2.6
289.03345	1.5
295.05960	4.0
297.03970	4.4
298.04626	1.7
299.01889	2.9
299.05396	20.6
303.04941	92.1
304.05316	2.1
311.05444	2.0
313.03488	1.6
313.06924	10.9
315.04797	1.9
323.05362	2.9
325.03137	1.6
327.04953	38.3
339.05042	14.0
341.06522	2.6
351.04990	10.5
357.05997	21.6
369.05951	20.1
371.07727	1.1
387.07037	20.7
395.86710	1.3
405.08121	36.8
423.09174	44.3
441.43286	1.0
533.09552	1.0
569.13751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1496
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
Peak:m/z	Relative Intensity
69.03397	1.2
70.06563	2.4
71.13566	1.0
71.69760	1.7
84.04508	0.9
85.02905	2.0
93.45444	0.8
96.26084	1.0
97.02869	1.7
121.02827	1.9
175.53249	1.1
196.76149	1.2
203.03375	1.6
213.05486	2.5
223.07661	1.3
229.04907	3.8
241.04950	5.1
242.05763	1.1
244.03694	2.4
245.04457	11.2
253.04900	2.4
254.05629	1.4
255.06535	4.7
257.04407	68.1
258.05145	12.8
259.05902	3.3
269.04382	5.5
269.07889	4.7
270.04797	1.1
271.05960	7.4
272.06201	1.6
273.03909	15.2
273.06619	1.1
274.04285	10.4
275.04477	12.5
279.06516	3.2
281.04333	1.7
282.05136	1.9
283.05994	9.9
285.03839	4.1
285.07004	1.1
287.05466	45.7
288.05920	2.4
295.06015	4.7
297.03931	2.9
297.07468	20.2
299.05472	6.7
300.05692	2.6
301.05981	4.9
307.05972	2.2
311.05457	18.2
311.08829	1.9
313.07071	1.8
323.05469	7.4
325.07062	7.6
327.05017	5.4
328.05310	3.9
329.05630	6.3
335.05487	1.5
339.04938	1.8
340.05240	1.6
341.06412	9.5
342.06808	1.2
351.04910	1.4
353.06360	16.0
358.06549	1.6
359.06400	3.0
371.07486	19.6
387.07101	1.2
388.07657	1.5
389.08551	32.2
405.08179	2.8
406.08401	1.9
407.09647	100.0
408.10086	3.3
533.11780	1.3
551.13092	1.5
554.34906	1.1
569.14526	4.9
582.94342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34564	0.3
58.61446	0.3
61.02918	0.4
65.03931	1.8
68.65755	0.3
69.71476	2.3
70.06564	0.4
85.02898	0.4
91.05463	14.8
95.43047	0.4
102.41155	0.4
104.05278	0.4
105.07017	0.3
107.04950	0.4
119.04923	29.9
120.05245	0.4
120.08066	0.5
121.02840	1.7
123.37625	0.4
131.04929	0.6
133.06480	0.5
133.90053	0.3
137.06015	0.5
147.04381	100.0
148.04695	1.3
150.38289	0.3
153.01736	0.6
167.07071	0.9
187.07599	0.4
201.05431	0.6
211.03920	1.5
212.93944	0.4
218.08943	0.3
225.05450	0.6
229.04951	1.2
239.03294	0.4
245.04297	0.4
257.04388	10.2
257.06934	0.6
260.03171	0.5
260.51572	0.3
261.03879	3.1
263.01721	0.7
267.02921	0.7
269.04160	0.3
269.15662	0.4
271.06052	1.0
273.03891	8.5
274.04648	0.6
281.04199	0.3
285.03888	18.1
286.04199	0.5
297.03909	0.8
299.05353	2.5
303.04962	9.6
304.05334	0.6
309.09695	1.5
311.05527	1.4
313.07025	0.9
323.05618	0.6
327.04913	3.6
329.06689	0.4
339.05090	1.5
351.04929	1.4
357.05917	1.6
369.05994	4.1
375.08456	0.4
385.06870	0.4
387.07080	1.0
389.06702	0.5
403.07983	3.7
405.07996	2.6
423.09055	1.7
431.07571	5.1
449.08655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1278
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
50.48011	0.5
53.03936	0.7
55.01858	0.7
55.05484	0.8
60.12563	0.5
65.03928	4.5
68.99776	1.0
69.03426	1.1
69.38912	6.3
69.62743	0.5
70.06549	3.4
71.01324	0.7
72.08142	0.8
79.01841	1.6
81.03399	1.9
81.49567	0.6
84.08118	1.4
85.02874	0.8
86.09708	1.6
91.05457	1.7
95.04951	0.8
98.06051	0.6
100.11240	2.5
105.03421	0.6
109.02879	0.6
111.04424	4.5
119.04926	2.6
120.08080	2.4
121.02845	100.0
121.03872	3.4
122.03137	1.3
127.03912	0.9
129.10249	0.7
135.04379	1.5
136.05206	0.5
137.02312	8.7
137.05965	2.2
147.04379	6.0
151.03860	1.6
161.02330	1.2
163.03905	1.3
163.07576	0.9
165.01791	1.9
167.07005	4.8
177.01852	1.6
179.03448	0.6
183.02962	1.5
187.03938	0.9
195.02878	1.1
203.03320	1.1
203.06738	0.5
205.04858	0.7
208.90970	0.5
217.04974	1.4
219.02901	0.7
229.04961	1.9
243.02908	0.9
257.04395	1.4
259.06070	2.1
261.03891	1.4
271.05920	1.9
272.06720	3.7
273.03839	0.8
282.05255	0.6
283.05862	1.1
284.06708	0.9
285.03903	2.5
287.05441	5.2
295.06152	1.0
297.21741	0.7
299.05444	37.0
300.06201	21.3
301.06891	1.9
303.04999	1.0
311.05450	22.1
312.05966	0.8
313.07013	7.1
315.04898	1.8
323.05539	1.5
324.06293	2.2
325.07114	2.9
327.04971	3.1
329.06506	66.9
330.06912	1.5
337.07376	0.7
339.04849	2.4
339.08688	5.4
340.05835	2.1
341.06595	3.2
343.07999	2.7
353.06494	8.9
359.07608	1.6
365.06500	1.1
367.08066	3.0
371.07648	1.7
377.06387	0.6
383.07492	5.4
385.09082	0.7
395.07602	4.3
413.08606	8.4
431.09692	18.2
449.08597	17.3
516.72113	0.5
551.11798	5.0
569.12799	92.5
569.47345	2.2
570.13171	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	568.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03923	6.9
55.05503	11.1
55.48761	2.0
57.07060	6.7
59.04966	1.8
63.11670	1.9
64.74371	1.9
65.03915	1.9
65.31204	2.3
67.05502	20.4
69.03422	2.6
69.07073	11.9
71.71609	3.5
79.05482	30.2
81.07045	37.1
83.08578	4.0
85.06523	3.3
85.69231	1.9
87.39832	2.3
91.05467	55.0
93.07035	47.4
94.07805	2.6
95.04953	45.2
95.08594	30.9
102.20701	2.2
103.05458	4.3
104.23351	2.0
105.07014	98.3
106.07783	4.9
107.08568	38.5
109.06493	9.0
109.10138	13.7
115.05439	6.2
116.06178	3.1
117.06995	33.8
118.07790	3.1
119.08564	100.0
120.09351	6.5
121.06482	2.1
121.10137	23.1
123.08066	13.1
123.11667	6.3
125.09538	2.6
128.06198	11.8
129.06978	23.3
130.07787	15.4
131.08553	52.5
132.09337	10.8
133.10100	47.0
134.10881	7.4
135.08023	4.9
135.11678	15.4
137.09561	3.7
138.10384	11.6
139.11221	3.9
141.06943	7.9
142.07761	25.5
143.08542	42.3
144.09329	14.7
145.06331	2.4
145.10101	70.8
146.10837	7.3
147.07939	3.6
147.11670	23.4
147.85019	2.6
149.09587	3.6
149.13231	3.8
151.11134	2.7
153.07008	3.4
154.07738	2.8
155.08517	18.5
156.09315	22.0
157.10107	43.9
157.11383	2.8
158.10873	13.8
159.11673	29.5
160.12454	3.2
161.09624	4.4
161.13202	3.6
165.06963	8.2
166.07771	3.0
167.08534	12.7
168.09273	4.7
169.10083	27.2
170.10893	10.0
171.11667	28.1
172.12447	5.5
173.13229	25.6
174.13759	2.0
175.14790	19.7
175.99222	2.2
177.12714	5.5
179.08516	12.8
180.09227	5.5
181.10110	15.5
182.10854	8.5
183.11676	27.2
184.12477	4.0
185.13203	20.8
186.14014	9.3
187.11110	2.2
187.14836	11.5
189.12727	3.6
191.14279	11.5
192.09274	5.4
192.15091	3.5
193.10005	6.7
194.10860	8.4
195.11641	17.2
196.12434	5.7
197.13240	23.8
198.13943	4.5
199.14732	12.2
200.15401	3.1
201.12732	5.2
201.16393	6.4
203.14330	3.2
205.10034	2.8
206.10936	4.3
207.11662	8.9
208.12498	3.3
209.13196	24.3
210.13998	3.1
211.14775	16.5
212.15479	3.5
213.16455	3.2
217.15852	6.2
219.11659	2.3
219.17363	3.5
221.13310	5.5
222.14023	5.1
223.14821	10.2
224.15652	2.7
225.16301	8.3
226.17081	3.5
227.14195	3.6
227.17763	2.5
231.17365	3.4
233.13206	3.5
234.13882	3.0
235.14799	5.9
236.15652	2.5
237.16399	7.0
239.17871	6.1
241.19472	4.7
244.18228	2.6
247.14606	3.6
249.16330	5.0
251.17888	3.9
253.19547	2.4
255.17232	2.3
257.18951	4.0
259.20636	4.8
263.17892	2.5
265.19501	5.0
267.21033	3.2
272.21136	2.7
275.17828	2.6
277.19412	3.9
279.21130	2.6
283.20493	3.8
285.22107	5.7
291.27646	2.4
297.22046	2.9
309.21924	3.3
320.24738	3.2
323.23596	9.0
337.25244	3.1
338.26013	53.7
351.26917	3.1
429.30756	2.4
430.32202	17.7
476.36438	20.0
568.42633	37.8
568.56323	7.1
569.42615	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	568.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.05503	9.1
57.03437	4.6
59.22420	2.2
60.04539	2.6
61.02927	2.3
63.73973	2.1
65.03929	6.8
67.05501	5.4
69.03421	21.2
69.07057	7.4
70.06578	21.8
71.00774	7.2
71.04977	7.7
72.08144	5.3
79.05487	15.0
81.03402	7.9
81.07047	51.0
84.04533	3.7
84.08127	7.2
85.02898	19.2
86.09686	11.7
87.04456	9.8
91.05460	19.9
93.07035	19.8
95.04968	3.5
95.08601	16.0
97.02883	16.2
97.06521	3.1
97.10046	2.7
99.08097	3.1
102.05546	2.6
103.05468	3.2
105.07038	27.8
107.04953	4.1
107.08580	27.2
109.02879	3.9
109.10175	15.9
111.04462	3.6
115.03920	24.1
117.07088	3.6
119.04943	10.7
119.08551	44.7
120.08152	6.5
121.02847	87.8
121.10120	4.4
123.04452	3.0
123.11716	11.3
125.09558	3.8
127.03897	4.5
127.11168	15.8
129.07018	2.8
129.10281	3.5
130.06425	3.0
131.08557	3.0
133.04950	20.5
133.10083	18.2
135.04431	3.0
135.11681	43.7
137.02333	6.1
137.05966	13.0
138.06276	3.2
143.10658	20.6
145.04938	2.7
145.06491	4.0
147.04375	25.7
147.11685	11.6
149.13220	5.9
150.83548	3.4
151.03847	3.4
153.12749	3.2
161.13243	8.1
165.05367	2.9
167.07025	15.3
175.07553	3.5
177.01912	3.8
177.05556	3.9
187.07457	3.0
203.17911	34.8
221.18980	41.8
226.11017	2.8
229.05095	3.1
250.09366	3.0
257.04453	8.7
258.05273	3.8
259.08084	5.1
271.05963	6.1
272.06747	6.3
273.03943	22.9
281.04422	5.9
284.03189	4.6
285.03854	27.9
286.04694	3.1
287.05444	7.6
289.03470	3.0
295.10031	4.6
297.03906	43.2
297.07260	3.6
299.05389	36.5
300.06180	14.9
303.04910	7.2
309.03836	2.9
311.05508	22.0
313.07071	7.4
315.04837	7.9
320.06671	3.5
323.05371	14.4
325.07117	4.1
327.04971	15.9
329.06516	61.4
337.06882	5.0
339.04916	5.4
339.08759	5.0
341.06537	6.2
351.04990	9.7
353.06577	6.6
359.07248	4.4
367.07880	3.2
373.13800	5.7
375.04672	5.0
381.05765	3.8
383.07486	5.3
387.10693	7.2
393.05933	6.8
395.07529	5.1
399.10745	3.2
405.08942	3.6
411.07089	3.5
413.08511	7.3
417.11700	7.9
418.12073	5.7
431.09494	11.5
441.11633	6.2
448.13089	4.4
449.08356	12.5
483.12918	5.3
501.13556	4.1
551.11682	6.3
569.12793	100.0
598.53326	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	568.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32395	3.5
52.78447	3.0
54.48201	3.0
55.01846	4.4
70.06584	4.4
71.69334	3.9
81.03391	6.3
84.04485	4.6
84.08091	3.1
85.02885	15.4
93.03394	17.7
97.02880	9.8
100.81631	3.1
103.71081	3.5
104.07040	3.3
107.04938	26.0
109.02863	17.7
109.81041	3.0
111.04420	10.7
115.78339	3.4
119.04949	6.7
121.02856	27.1
121.06487	6.0
123.04395	3.6
131.04919	6.3
135.04411	26.0
137.05945	4.9
139.03886	9.8
141.01836	4.7
146.04219	3.6
147.04344	10.0
149.05954	7.6
151.03906	7.8
152.90924	3.5
163.03900	6.4
165.01814	26.2
175.03917	5.8
177.01857	20.6
177.05434	14.6
183.02853	26.6
195.02876	100.0
203.03358	13.5
207.02812	33.8
219.02980	4.1
221.04414	11.0
223.02444	5.8
225.03909	41.2
231.02876	26.8
233.04434	6.5
235.06012	5.6
243.02917	14.3
245.04443	4.9
249.03891	30.9
259.05951	23.1
261.03824	16.4
270.62201	3.9
271.05957	33.7
273.03867	36.5
274.04257	16.0
285.03723	3.7
291.04913	25.1
300.05740	4.6
301.06943	30.5
309.05975	8.1
325.07022	56.0
328.05289	6.6
337.15784	3.5
355.08084	57.8
358.06082	4.0
367.08005	29.2
370.06665	3.6
385.09183	34.6
388.07129	4.5
403.10077	81.3
406.08609	7.3
421.11203	63.1
455.96112	3.9
502.49390	4.3
550.28601	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	567.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
56.96551	0.4
67.05491	2.4
69.03426	0.5
69.07043	0.4
69.46735	1.3
69.47164	1.7
79.05488	1.1
80.38496	0.3
81.03391	1.4
81.07052	1.4
81.54931	0.3
82.55343	0.3
83.01069	0.4
83.04922	0.5
83.08631	0.4
84.96227	0.3
85.02898	0.4
91.05453	0.8
93.07013	1.1
95.04881	0.3
95.08604	0.7
105.06994	0.5
107.08579	0.7
109.06541	0.3
109.10140	1.1
109.49467	0.3
116.47523	0.3
117.07062	0.3
119.08586	0.4
121.10105	0.5
127.03891	0.4
133.10063	0.3
135.08119	0.3
148.83272	0.3
149.13303	0.3
155.01120	0.3
156.03918	0.4
157.04720	0.3
159.11682	0.3
185.04195	0.8
189.11171	0.3
201.03648	0.7
203.05251	1.3
224.84851	0.3
242.23999	0.4
259.07837	1.4
305.16595	0.3
321.85526	0.3
331.10092	1.7
345.11310	0.4
387.16144	0.9
387.21381	0.4
401.17816	0.3
405.22464	1.7
457.19806	0.3
465.85471	0.3
469.20529	0.7
492.82501	0.3
567.27612	100.0
568.28137	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	567.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98434	1.0
55.05474	3.8
57.03403	1.2
61.02906	2.0
67.05494	13.5
69.03402	2.7
69.07051	2.1
70.10139	6.4
70.12164	1.0
71.04955	1.2
79.05451	5.2
81.03413	7.6
81.07033	6.9
83.04945	1.3
83.08593	1.6
85.02872	1.4
91.03913	1.1
91.05435	4.7
93.06993	3.8
95.04937	1.9
95.08595	2.6
97.02876	1.8
97.06511	1.2
105.06989	1.8
107.04888	1.2
107.08569	1.9
109.02874	1.3
109.10149	7.7
119.08515	2.1
121.10116	1.9
122.99854	1.1
127.49921	1.2
131.08473	1.2
133.10146	1.9
152.02493	1.2
165.12656	1.3
173.11726	2.7
176.39796	1.1
195.13716	2.2
203.05196	1.2
203.89754	1.2
203.97882	1.3
296.18195	1.3
299.14993	1.8
331.09924	1.2
337.68631	1.1
338.62943	1.3
405.22110	1.6
423.27173	1.8
567.27399	100.0
568.27454	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	567.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.8
70.06592	0.5
71.70298	0.9
78.39360	0.5
79.05472	0.7
81.03374	0.7
81.07034	1.6
83.04936	0.5
83.08598	0.6
85.02911	0.5
90.66158	0.4
91.05466	1.4
93.07013	0.5
95.04952	0.9
95.08607	0.7
100.98199	0.5
105.07034	0.9
107.08554	0.5
109.10119	1.0
119.08546	0.6
121.10123	0.7
129.44012	0.5
131.04924	1.3
133.51636	0.5
137.06001	0.6
140.15955	0.5
142.28329	0.5
145.10091	0.5
152.50487	0.4
163.07578	0.4
167.07042	1.0
174.19502	0.5
181.89720	0.4
185.04150	0.5
212.73610	0.5
252.30688	0.5
261.46469	0.5
286.61957	0.5
331.10126	0.5
374.15857	0.5
397.00211	0.6
405.22336	3.9
472.42996	0.5
567.27661	100.0
568.28027	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	567.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01851	1.6
55.05506	3.4
65.03928	7.1
67.05486	3.6
69.03416	2.2
69.07049	2.2
69.99985	6.7
70.06577	7.2
72.08139	3.2
78.04692	2.8
79.05489	10.5
81.03432	1.9
81.07022	2.1
83.08604	2.6
84.08126	4.2
85.02895	3.9
86.09682	3.0
91.05461	13.7
93.07056	4.1
95.04953	5.4
97.06507	4.8
98.97610	2.4
100.11282	3.5
103.05453	5.1
105.07001	14.0
106.04168	2.7
107.04939	15.0
107.08579	2.2
109.02864	2.4
110.03649	7.3
111.04427	9.2
115.05435	6.3
115.72527	1.5
117.07014	2.4
118.04115	2.9
119.04226	1.7
119.04933	9.3
119.08529	3.6
121.06467	3.3
123.04417	4.4
124.05221	4.8
125.05967	9.9
127.03920	1.7
128.06203	4.4
129.07011	7.5
131.04874	8.4
131.08597	1.8
132.05713	3.1
133.02827	2.2
133.06467	8.0
135.04448	2.2
137.05969	13.3
138.03087	1.5
139.08536	1.7
144.11156	1.5
145.06465	3.1
147.04359	10.6
147.07983	5.8
151.03899	4.1
151.07520	3.2
152.04712	2.4
153.05435	34.0
155.07106	1.7
159.08052	6.1
160.05238	2.3
161.05931	13.8
163.07404	1.8
165.05447	2.3
167.07013	100.0
169.06526	1.5
171.04456	2.1
172.05161	4.2
175.07521	27.5
177.05429	4.1
178.07680	2.4
179.07060	5.8
181.04990	2.5
181.06552	1.8
184.05141	1.7
187.07524	21.4
189.05469	6.6
189.07033	3.8
189.09019	2.8
190.07803	3.3
191.07002	10.3
191.08540	3.4
199.07454	9.9
201.09183	1.8
202.07742	3.5
203.06926	2.2
203.08578	6.4
205.06549	4.3
206.07210	3.7
207.06432	2.3
209.08014	3.0
215.01175	1.7
215.08615	2.5
216.07744	2.4
217.08583	1.9
218.07271	4.4
218.24251	1.6
219.08070	8.5
220.08794	3.2
221.09546	3.9
223.07414	1.7
229.08650	4.7
231.08055	6.3
232.08734	3.9
233.06006	2.8
233.09610	7.0
234.06734	4.8
235.07603	5.8
236.08258	3.1
245.05936	2.0
247.07539	6.1
248.08383	5.2
249.09070	8.7
250.09702	2.4
251.07120	2.0
251.10591	6.4
253.09038	1.8
259.07562	4.0
260.08301	2.9
261.05548	2.9
261.09119	4.0
263.06998	4.9
264.07773	4.1
265.08597	7.1
266.09375	2.4
275.06949	3.8
276.07767	10.5
277.08557	7.1
278.09070	3.3
279.06573	3.4
279.10101	4.1
281.11707	7.4
283.05792	1.8
285.03745	2.1
289.03409	5.4
289.08569	6.4
290.09229	3.5
291.10056	7.2
293.08160	5.8
293.11505	2.1
294.08807	1.9
295.09589	2.9
305.07971	3.4
306.08902	2.6
307.09561	14.7
308.10394	5.3
309.08072	2.0
309.11053	10.1
319.09531	10.6
321.11215	8.2
323.12808	6.5
337.10703	2.6
339.12265	46.5
341.13889	15.9
349.15341	3.9
351.12277	24.6
351.55231	1.8
352.12576	2.3
353.13690	9.2
369.13223	2.4
385.09036	4.1
417.11780	8.7
447.13159	5.8
471.12970	4.3
495.12280	2.5
531.14728	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	567.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27776	1.6
57.03412	3.2
65.03920	2.5
67.05486	2.3
69.03411	2.7
70.06572	2.5
70.26308	8.0
71.34182	1.9
73.02921	1.8
79.05453	2.2
81.03381	3.1
85.02903	7.6
86.61643	1.4
95.04932	1.8
97.02877	3.1
103.03922	4.3
103.05527	1.6
107.04903	3.5
109.02882	1.7
116.01667	3.8
117.06980	1.7
119.44093	1.8
121.02831	2.3
122.03642	2.1
123.04424	2.1
131.30414	1.5
132.27016	1.7
137.05934	26.7
145.06425	1.8
147.08052	1.9
149.05920	2.5
151.03886	2.2
161.05989	3.1
163.03876	3.0
165.01880	4.2
167.06998	13.4
173.06003	3.6
175.07567	2.5
181.04924	6.5
187.07466	2.9
191.06987	2.0
192.97382	1.9
195.02855	2.6
201.05492	2.6
209.08063	2.1
215.07005	1.7
223.07527	1.8
225.05363	3.5
229.04886	2.5
233.08102	3.8
237.09163	2.2
239.07024	3.3
241.04933	5.7
241.08580	2.0
243.06598	2.4
251.06941	2.4
253.04996	4.4
253.08609	6.0
254.05734	2.5
255.06558	4.4
257.04510	3.9
265.05096	2.3
265.08521	4.1
267.06512	6.8
267.09982	4.6
268.07330	2.7
269.04422	2.4
269.08020	17.8
270.08734	4.0
271.05975	19.3
272.06454	5.7
273.68765	1.6
277.08444	4.3
279.06638	4.5
279.10049	2.0
280.07245	3.3
281.04733	2.7
281.08099	10.0
283.06036	3.6
283.09644	6.7
285.04297	1.7
285.07523	7.1
293.07962	8.7
294.08774	4.9
295.06009	5.4
295.09662	10.1
297.07495	12.3
299.05469	6.8
299.09116	13.4
305.07944	5.7
307.06116	3.1
307.09476	3.8
309.07544	5.5
309.11197	4.5
311.05594	3.6
311.09128	8.7
312.05981	2.3
313.07120	3.8
313.10782	6.6
319.09811	4.6
321.07471	5.6
321.10922	2.6
322.08459	2.0
323.05637	3.1
323.09128	13.6
325.07013	7.1
325.10571	3.9
326.07867	3.4
327.04929	3.5
327.08517	23.9
329.06531	2.9
329.10153	4.1
333.07535	3.7
335.05402	2.5
335.09006	3.1
337.06940	3.4
337.10614	4.8
339.04962	2.9
339.08606	6.4
339.12213	2.4
341.06464	2.8
341.10117	7.9
343.08099	3.6
343.12003	2.1
344.05414	4.5
347.09204	4.6
349.07068	3.2
349.10745	2.7
351.08347	10.3
352.05777	2.5
353.10260	7.1
355.08069	5.2
356.05209	4.4
357.09601	17.3
363.08548	2.4
365.10144	3.0
367.07825	3.5
367.12003	3.8
369.09607	4.0
371.11337	9.9
373.09055	5.9
379.07867	3.1
379.12045	2.9
380.05368	2.1
381.09607	7.7
383.11334	8.5
385.09213	10.2
387.14465	13.2
393.09662	4.5
395.11047	2.5
397.09073	3.2
399.10742	19.1
401.12314	5.0
405.10202	2.5
405.16815	3.8
407.11713	4.0
409.09042	6.2
411.10760	2.9
417.11716	33.7
417.16827	2.8
423.10751	5.6
425.12241	3.2
429.11777	33.2
435.11429	2.2
447.12793	100.0
448.12982	1.8
449.12357	3.2
451.10199	3.6
453.11694	12.6
465.11215	2.0
469.11490	2.4
471.12823	35.5
483.12796	9.6
495.12726	14.0
501.13800	27.5
513.13824	26.5
531.14923	43.2
549.15851	49.6
567.17023	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	567.1699
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
55.01863	4.7
55.05496	2.2
57.03428	6.0
61.04050	2.0
67.05474	2.7
69.03423	2.9
70.06583	8.0
71.04994	2.8
71.69955	3.7
73.02900	3.1
77.54566	1.9
79.05449	2.9
81.03400	2.2
81.07043	3.6
84.08139	2.3
85.02886	9.1
85.06551	2.2
86.09695	3.6
91.05459	4.4
95.04945	4.2
97.06516	5.6
99.08091	2.8
103.03915	5.2
103.05506	2.2
105.03374	2.7
105.07018	2.8
107.04921	3.0
119.08559	2.1
121.02856	4.3
133.02855	2.0
137.05977	15.2
139.03897	3.1
147.04308	3.0
151.03970	3.4
153.05391	3.1
153.69716	2.0
163.03937	3.3
165.01843	3.9
167.07019	7.8
175.07538	2.8
187.07579	4.5
195.02852	3.1
201.05426	3.5
211.07428	2.3
215.07060	2.4
225.05458	7.4
225.23601	2.0
229.04904	3.7
231.02832	3.0
233.07979	2.6
239.07054	5.5
241.05089	9.6
243.02690	2.5
243.06480	4.9
245.04446	3.5
249.09032	2.5
253.04924	8.1
253.08565	18.2
255.06458	5.7
257.04459	3.4
257.08124	2.6
259.02347	28.3
260.03152	2.5
261.03864	11.8
265.08655	4.0
267.06522	7.3
267.10144	6.9
268.07208	3.0
269.04825	3.7
269.08081	22.9
270.08871	6.1
271.02600	4.0
271.06024	9.0
273.03958	9.1
276.02557	2.8
277.08490	6.5
279.06549	4.8
279.10071	3.1
280.07202	4.6
281.04773	4.2
281.08066	22.7
282.08615	2.4
283.02380	2.3
283.06165	2.7
283.09622	10.6
285.03928	11.3
285.07129	3.6
287.01840	38.6
289.03384	43.4
291.06720	2.8
291.10071	5.0
293.05197	2.8
293.08139	12.5
293.11124	2.8
294.05365	2.2
294.08618	3.7
295.05981	7.0
295.09644	13.1
297.03873	7.2
297.07544	11.3
297.10632	3.0
299.02026	4.0
299.05472	10.0
299.09106	27.3
300.02856	2.8
300.06390	3.2
301.03473	7.2
301.06766	2.6
303.04974	3.4
305.08157	5.3
307.05902	6.0
307.09595	5.6
309.03989	5.2
309.07550	6.3
309.11209	7.9
311.05423	5.8
311.09122	13.6
313.03378	19.8
313.10571	9.8
314.04150	3.8
315.01236	6.8
315.04947	7.8
315.08521	3.7
317.02863	21.4
319.09592	6.3
321.03799	3.2
321.07410	4.7
323.09195	21.8
325.03387	5.4
325.07013	10.6
325.10577	3.3
327.04974	9.0
327.08603	22.5
329.03058	2.8
329.06619	2.9
335.09137	3.9
337.07047	3.4
337.10544	4.4
339.04984	4.7
339.08716	7.5
341.02887	4.9
341.06543	3.6
341.10089	15.7
343.07889	3.7
343.11884	2.5
347.05081	2.4
347.09137	8.2
349.07031	4.2
351.08594	9.3
351.12479	4.1
353.02856	5.7
353.10306	4.2
355.04428	4.7
355.08148	3.4
357.09589	7.0
365.02759	3.8
365.10150	8.3
367.08102	6.4
369.09683	6.7
371.03937	17.5
371.11279	22.8
373.13016	5.3
379.11761	4.1
383.03860	5.2
383.11047	10.5
385.09192	31.9
387.14627	3.7
393.09674	4.3
397.08676	3.5
397.13144	2.6
399.10745	42.0
401.04950	9.3
401.12311	19.6
405.12228	2.5
407.11102	3.9
411.10330	12.9
415.10208	28.9
417.11792	41.4
419.06116	6.7
423.10767	2.6
425.12622	11.2
427.10300	2.4
429.11743	74.8
439.09894	20.8
447.12817	100.0
449.12134	5.8
451.10236	5.5
453.11700	39.7
455.13617	3.5
463.10141	4.2
465.11459	5.0
467.13315	7.9
469.11029	4.6
471.12875	38.5
477.11697	4.6
481.11267	13.6
483.12885	24.7
495.12640	24.5
499.12381	23.1
501.13925	24.2
513.13861	39.6
517.13330	25.0
531.07166	4.6
531.14880	56.9
549.15955	48.0
558.54004	2.3
567.16870	9.6
579.00433	2.6
583.37042	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	567.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.4
57.03414	4.8
69.03419	6.0
70.06594	24.4
71.70792	3.5
73.02898	3.4
79.05472	5.6
81.03389	5.5
83.01307	2.8
84.08128	3.7
85.02873	11.3
86.09673	8.3
91.05460	4.2
93.07035	2.9
95.04961	5.0
97.02839	3.1
103.03951	4.6
103.05435	3.6
105.07032	3.4
107.04957	5.6
109.02861	2.9
121.02846	18.0
121.09890	2.5
123.04356	4.0
131.79382	2.6
133.06476	5.0
137.05965	45.2
139.03880	4.0
151.03893	8.2
161.06044	3.4
163.03856	5.3
165.01797	3.2
167.07036	29.2
175.07550	10.2
181.04961	5.8
183.02821	4.3
183.14981	4.3
187.07539	4.4
191.03488	3.0
191.06963	7.0
195.02907	6.0
197.06030	2.7
201.05391	4.1
205.34697	2.5
217.05040	2.9
225.05475	6.4
229.04848	3.7
229.09720	2.9
233.08081	3.4
235.07555	3.2
239.06947	4.1
241.04904	8.1
242.05801	4.0
253.04976	7.9
253.08582	19.6
255.06448	6.0
256.07361	3.0
257.04489	6.0
257.08334	2.7
261.03909	5.9
265.04901	5.2
266.05814	2.8
267.06500	5.7
267.10123	8.0
269.04868	4.5
269.08069	28.9
270.08688	7.5
271.05981	14.4
273.03870	8.1
277.05011	3.0
277.08612	7.3
279.06564	5.7
280.07248	3.6
281.08041	31.0
283.06213	4.7
283.09616	11.6
285.03928	16.9
285.07379	6.1
286.04440	5.3
286.17566	11.1
291.06509	4.3
293.08063	11.9
294.08853	6.3
295.05966	11.3
295.09561	16.2
296.06763	3.6
297.07529	18.9
298.07788	3.7
299.05450	10.7
299.09125	27.5
303.05057	7.1
305.08173	6.9
307.09631	4.6
309.07846	4.9
309.11276	6.8
311.09122	11.5
313.07162	7.3
313.10583	9.1
319.09625	4.6
321.07660	3.9
322.08264	4.3
323.05554	3.7
323.09122	20.7
325.06964	6.6
325.10577	5.2
327.04886	6.0
327.08429	27.6
329.06525	4.3
333.07547	3.7
333.11237	3.5
335.09036	9.3
337.07077	5.1
337.10672	6.8
339.08575	6.6
341.06445	5.7
341.10172	13.6
341.13757	4.1
343.11771	3.8
347.09155	8.2
351.08569	12.8
351.12329	3.8
353.10220	5.0
355.07864	6.2
357.09665	11.1
363.08566	3.6
365.10043	7.6
369.09631	6.7
371.11188	25.7
375.08243	3.7
381.09570	3.0
383.11166	12.2
387.14325	13.0
393.09720	4.7
397.08646	3.6
399.10797	41.9
401.12177	20.0
407.11108	4.9
411.10614	5.9
417.11761	40.3
425.12628	11.8
429.06314	5.1
429.11777	62.4
430.12186	4.3
437.12048	3.0
445.98230	3.0
447.12799	100.0
448.13226	5.9
453.11810	25.5
465.12027	5.0
467.13416	7.2
471.12878	39.5
477.11597	5.3
483.12820	15.6
495.12982	22.4
501.14047	23.9
513.13715	26.6
531.14832	56.2
549.16034	49.5
567.09937	6.7
567.17413	34.5
568.13440	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.17
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
55.01866	4.0
57.33702	2.0
69.03401	4.0
69.95578	11.6
70.06571	6.0
79.55568	2.1
81.03401	3.9
85.02886	13.6
88.17971	2.4
91.05472	7.9
93.03378	3.9
93.06994	2.5
95.04961	6.5
96.36861	2.1
97.02887	4.3
98.20727	2.6
99.04428	2.3
103.03916	9.6
103.05452	4.8
106.04160	11.6
107.04970	2.4
109.02873	7.6
115.05462	2.7
117.64601	2.3
121.02897	3.4
121.06467	12.0
124.12893	2.0
124.86312	2.3
125.05991	2.9
127.03896	5.6
131.04906	2.2
133.06572	2.4
137.05960	31.6
139.03943	2.5
141.01863	2.2
145.04880	2.6
145.06506	2.5
147.04356	3.8
149.02293	2.9
149.05937	16.1
153.01793	3.6
153.09106	3.7
165.01813	7.5
167.06973	9.6
173.05949	3.9
175.07399	3.1
177.01830	4.1
177.05467	11.0
179.03297	3.7
181.04979	3.2
181.08589	4.8
183.02841	3.0
191.06992	3.3
195.02884	5.5
201.05415	2.6
209.08061	40.2
217.04901	2.9
225.05409	8.3
229.04837	5.2
233.08113	4.4
239.03484	2.6
239.06941	2.9
241.04997	7.5
241.08514	3.8
242.05707	2.2
243.02754	4.1
243.06447	5.0
245.04434	3.5
253.04974	9.2
253.08595	19.4
254.05688	2.5
255.02979	2.6
255.06512	6.5
257.04361	13.0
260.03079	4.0
261.03909	6.3
263.06915	3.5
265.04980	3.9
265.08621	3.3
266.05664	4.5
267.06497	8.2
267.10086	8.9
268.07147	4.4
269.04648	5.7
269.08054	30.0
270.08755	7.7
271.05933	16.4
271.08759	2.5
273.03952	20.3
273.06805	3.9
274.04471	4.6
277.08597	9.1
279.06519	10.0
279.10043	4.6
280.07294	6.5
281.04874	4.6
281.08051	26.0
283.06036	5.0
283.09604	11.5
284.10495	2.6
285.03897	18.7
285.07547	7.2
291.06500	2.8
291.10077	6.7
293.08072	10.3
294.08722	5.4
295.06000	13.9
295.09659	19.8
297.03986	5.7
297.07538	19.1
297.10785	3.4
299.05493	19.2
299.09125	37.3
300.06195	2.8
301.07178	2.5
303.04959	59.5
305.08014	8.9
307.05994	4.9
307.09586	8.2
309.07553	8.8
309.11209	8.8
311.05377	6.3
311.09122	14.3
313.03741	2.5
313.07034	8.2
313.10703	10.2
319.09534	6.3
321.07562	5.6
321.10995	2.9
323.05637	4.6
323.09149	21.5
324.09174	3.0
325.07004	8.0
325.10547	5.2
327.04886	17.6
327.08624	30.9
329.10089	4.1
333.07526	3.7
335.09131	5.5
337.07080	5.3
337.10699	10.7
339.04941	3.4
339.08542	10.5
339.12341	3.7
341.06531	4.3
341.10208	14.9
347.09067	4.8
351.04846	8.8
351.08536	8.9
351.12247	3.2
353.06180	3.5
353.10156	6.0
355.08054	7.0
357.09705	5.2
363.08316	3.4
365.10226	9.8
367.08044	6.9
369.05951	17.9
369.09732	7.6
369.13501	2.8
371.11200	25.8
373.08878	2.8
373.13016	4.4
381.09628	3.0
383.11060	14.1
385.09232	7.7
387.06708	3.3
387.14667	5.2
393.09387	5.4
397.09204	8.7
399.10736	41.6
401.12079	26.2
405.10748	3.3
411.10580	9.4
417.11777	36.5
423.10965	2.9
425.12329	9.2
429.11771	65.5
447.12811	100.0
448.12674	2.7
449.12402	4.1
451.10278	2.4
453.11768	28.7
465.11505	6.3
467.13257	5.2
471.12799	32.4
477.11633	3.4
483.12857	18.8
495.12888	24.4
499.11981	3.6
501.13840	27.3
505.13657	4.6
513.13898	35.1
517.13019	11.3
531.15009	46.7
549.16022	54.3
567.16644	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	567.1338
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
50.73992	0.8
51.76385	0.8
53.03934	1.9
55.01873	1.7
57.03413	1.2
60.44213	0.9
69.39425	10.6
75.04447	1.1
81.03404	2.5
85.02895	11.5
85.59161	0.9
86.91478	0.9
91.05473	3.8
93.03379	2.7
95.04929	1.2
97.02881	1.3
97.06535	1.5
98.21455	2.1
99.04427	5.5
103.03920	9.1
103.05434	1.1
106.04149	5.9
107.01305	1.3
109.02858	6.5
121.06480	6.9
125.05985	2.3
127.03898	6.9
137.05940	5.6
145.04921	4.1
149.05960	9.6
153.01828	3.1
153.09120	3.1
167.07031	1.4
169.05066	1.2
170.22183	0.8
171.04402	1.0
177.05408	6.3
181.08568	5.3
183.04376	1.7
193.03189	2.4
198.68106	0.9
201.05502	1.3
209.08057	23.1
211.03833	4.5
219.02879	3.4
221.06012	2.1
225.05461	3.7
229.04900	5.1
239.03368	1.1
239.07062	1.6
243.02859	1.3
243.06371	1.0
245.04405	1.8
247.08037	0.9
253.05048	1.9
255.06367	1.2
257.04431	35.3
260.03152	8.5
261.03937	6.3
263.01901	3.7
267.02856	3.2
267.06418	1.5
269.04465	1.7
269.07910	1.9
271.03082	1.7
271.05957	10.2
273.03897	61.0
274.04517	5.8
277.04858	1.8
279.06537	1.2
281.04327	3.2
281.07715	1.3
285.03937	25.2
285.07422	5.0
287.01959	2.1
287.05273	1.5
293.08185	1.1
295.05991	12.5
297.03915	5.9
297.07169	1.4
298.04633	1.9
299.02124	1.7
299.05444	25.9
299.08868	2.5
300.06143	1.3
301.03345	2.2
303.04938	100.0
304.05264	2.0
305.04871	0.9
309.03864	2.5
313.07004	11.5
323.05463	11.1
323.08932	1.6
325.03308	2.3
327.04959	34.2
327.08450	2.3
339.04907	4.1
339.08591	1.4
341.06415	2.2
345.10559	1.1
351.04938	22.3
351.08224	1.1
352.05353	1.0
353.10541	1.0
355.08221	1.5
357.06180	2.6
369.05978	77.5
370.06317	1.6
373.10239	1.0
385.09125	1.2
387.07126	5.9
399.10623	3.3
401.12076	1.4
405.08206	4.1
405.12961	2.1
417.11514	2.4
429.11795	5.0
435.10672	1.0
447.12918	5.2
453.11743	1.8
471.12839	2.5
483.13113	1.5
487.11789	1.2
517.13397	2.4
531.11865	3.2
549.14502	2.6
567.16895	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	567.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18959	1.4
52.44263	1.5
55.54114	1.5
58.45683	1.5
69.52126	1.1
70.35609	6.2
76.76730	1.5
91.45506	1.5
92.52586	1.6
98.97569	1.7
116.98593	2.6
121.48366	1.3
131.83824	1.3
134.99631	1.9
206.84335	1.4
234.99954	5.0
250.97742	2.7
253.01091	1.7
258.97168	2.4
258.99896	21.9
260.00137	3.1
260.99814	2.8
264.99011	4.0
274.97818	8.5
275.97754	1.6
276.97632	5.0
277.01010	29.1
278.01105	4.3
279.01120	3.8
282.99939	53.5
284.00095	5.6
284.99744	5.1
285.99866	2.1
293.99139	1.5
294.98474	2.3
298.97766	6.7
300.97971	3.8
301.00998	100.0
302.01126	10.0
303.00909	12.1
304.01184	2.0
313.09085	1.4
316.95566	2.2
316.98770	15.1
317.98923	6.1
318.98569	9.2
319.02118	5.6
324.02600	4.1
358.96600	4.1
360.99750	2.5
382.99976	1.9
398.94489	2.7
399.97986	2.5
401.01572	9.7
402.01111	4.0
403.01089	6.4
404.00977	3.0
407.00479	3.4
418.98920	5.6
425.01132	18.5
426.01553	1.9
427.01437	2.2
431.48102	1.5
441.99420	2.2
443.02527	55.6
444.02545	9.0
445.01953	4.2
458.99002	4.7
460.99915	8.1
466.03665	4.2
484.00836	1.9
496.99149	1.8
500.98224	6.3
524.99579	4.8
526.00787	1.9
542.99982	11.3
549.01251	18.8
550.01050	2.0
567.02368	45.3
568.02826	8.5
585.00195	13.6
590.03662	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.7
55.05504	2.6
57.03427	1.0
57.07059	0.6
59.42883	0.4
61.02916	0.9
64.47739	0.4
67.05499	4.2
69.03400	0.5
69.07050	1.5
69.42863	4.6
71.08622	1.6
79.05490	2.9
81.03405	0.7
81.07039	5.1
83.04968	0.9
83.08601	2.4
85.02911	0.5
85.10197	1.0
86.09686	0.5
88.63103	0.4
91.03927	0.5
91.05463	1.9
93.07020	2.9
95.04969	0.9
95.08596	2.6
97.02884	1.0
97.06519	0.8
98.97568	0.5
99.08077	1.9
105.06991	2.1
107.04945	0.7
107.08579	1.7
109.06512	0.7
109.10150	1.4
111.08063	2.3
113.09612	0.7
119.08578	1.5
121.10161	1.2
123.11691	0.8
125.09648	0.6
131.00140	0.5
131.08600	0.6
133.10121	1.0
135.11667	1.0
143.28030	0.4
145.10095	0.5
147.11681	1.0
149.01230	1.2
149.09532	0.5
149.13228	0.8
151.11148	1.0
159.11690	0.8
161.13242	1.1
163.11195	0.6
165.12755	1.6
166.67921	0.4
173.11768	0.5
175.11142	0.5
177.12697	0.6
179.14220	0.5
182.01353	0.4
184.07326	0.7
185.04213	0.6
185.07849	0.4
193.15820	0.4
201.03716	0.6
203.05217	0.9
222.12086	0.4
242.84465	0.4
259.07974	2.0
259.20670	0.7
277.21582	5.5
285.14059	0.5
292.12436	2.3
292.62555	0.7
293.12701	1.2
293.62839	0.9
294.14426	3.0
294.64297	0.8
295.22647	2.0
331.10010	1.0
331.18600	0.5
351.25262	10.9
369.26297	18.7
405.22522	1.5
567.27655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85599	1.6
53.03939	3.9
55.01842	3.5
55.05505	25.5
57.03423	10.0
57.07056	2.1
57.22144	1.6
61.02921	8.9
65.03923	2.2
67.05493	47.6
69.03411	8.5
69.07050	10.8
69.49957	17.4
70.06573	2.7
71.04973	3.2
71.08615	25.3
73.02902	2.2
78.12711	2.0
79.05489	26.9
79.73963	1.7
81.03407	12.1
81.07037	36.0
83.04955	7.1
83.08616	16.8
85.02888	7.1
85.06510	4.0
91.03941	2.7
91.05457	19.0
93.07030	24.5
95.04951	8.7
95.08602	18.5
97.02868	6.6
97.06533	3.3
97.10150	16.8
99.08076	23.3
105.06990	14.1
107.04953	2.6
107.08567	19.5
109.02886	2.4
109.06516	3.4
109.10145	18.1
111.08070	5.1
117.06990	5.8
119.08562	11.3
121.10136	9.2
123.11690	2.2
124.09579	2.1
125.09601	17.8
127.03929	4.2
129.07004	3.5
129.78719	2.1
130.44818	1.7
131.08527	3.8
133.10139	10.3
134.18741	1.8
135.08073	2.1
135.11676	9.0
143.08569	4.1
145.04979	2.2
145.10104	6.6
147.11684	7.1
147.75845	2.1
149.13223	5.8
151.11172	14.7
159.11676	4.4
161.13280	11.4
163.11165	7.4
163.14832	2.6
165.12737	4.6
171.11659	3.4
173.11697	9.7
175.14816	4.2
177.12747	4.2
179.14293	9.3
184.07346	2.7
185.13159	1.9
189.11177	9.8
189.12640	2.2
227.12706	18.7
229.14302	11.1
231.21136	2.1
241.19603	4.8
245.13791	9.8
253.17946	5.0
259.20572	5.3
268.18991	3.9
269.17349	12.0
277.21579	38.8
285.13382	1.8
286.20135	7.7
292.12665	2.7
294.14099	3.7
351.25256	100.0
352.25571	2.6
358.53427	1.9
369.26044	4.3
386.28839	3.4
448.25311	4.4
504.77948	1.9
530.86200	1.9
566.25305	2.9
566.34607	2.2
567.27411	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
57.03429	10.6
57.07084	2.9
61.02907	3.4
67.05495	34.9
69.03415	4.9
69.07052	11.8
70.83270	5.0
70.83611	2.9
71.04968	2.3
71.08615	10.3
73.02908	1.9
73.38012	1.8
79.05488	26.3
81.03400	8.4
81.07044	42.9
81.73066	2.2
83.04977	6.8
83.08624	10.9
85.02879	4.0
91.05472	18.0
93.07030	34.4
95.04958	5.8
95.08586	14.5
97.02868	3.7
97.06532	5.4
97.10161	2.7
99.04418	2.0
99.08067	12.4
103.03968	2.3
105.07017	10.7
107.08588	17.6
109.06503	2.0
109.10152	8.0
111.08074	5.3
111.79903	1.7
117.07004	6.9
119.08578	7.3
121.10162	6.8
121.74149	2.4
123.11715	3.1
125.09584	5.2
126.24435	2.1
127.03906	3.3
131.08585	5.6
133.10124	9.9
135.11682	5.5
145.10098	2.3
149.13229	15.0
151.11189	10.4
157.10118	2.2
159.11685	16.0
161.13235	5.7
163.11194	3.5
164.15193	2.4
173.11740	3.0
175.14877	2.7
177.12752	22.0
179.14330	8.2
195.13814	6.2
227.12854	2.8
229.14256	1.9
233.15323	2.8
241.19473	3.0
245.13699	3.5
251.16437	3.2
259.20642	5.7
269.17438	100.0
270.17694	2.5
277.21689	11.6
285.09799	2.2
295.22549	2.7
351.25266	34.4
369.26147	5.5
413.21704	2.6
567.27582	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	566.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	1.5
55.01865	11.9
55.05505	16.2
57.03415	5.9
57.03676	1.5
57.07048	4.2
61.02900	2.4
66.97064	1.4
67.05502	17.6
68.89281	1.6
69.03410	1.7
69.07070	10.1
70.10705	8.3
71.04993	1.6
71.08617	11.2
72.58446	1.4
79.05491	15.0
81.03387	3.9
81.07038	24.7
83.04952	4.9
83.08611	13.9
85.02880	3.7
85.06529	2.1
85.10162	6.8
91.05474	13.1
93.07022	15.2
95.04964	3.6
95.08592	15.4
97.02892	2.7
97.06494	6.9
97.10142	4.4
99.08054	9.2
105.07022	8.0
107.04936	3.7
107.08585	9.5
109.06499	3.2
109.10124	6.3
111.08052	17.0
113.09650	5.9
117.06950	2.7
119.08557	9.6
121.10126	5.6
123.08071	2.7
123.11701	4.7
125.09574	2.0
131.08534	2.4
133.10107	7.5
135.11656	4.0
139.11177	2.3
143.08516	2.0
145.10072	3.1
147.11650	7.9
149.09647	3.2
149.13235	5.1
151.11185	5.9
157.10062	2.5
161.13228	3.5
163.11168	3.8
165.12698	11.6
171.11681	1.7
173.11737	2.0
175.11226	1.9
175.14783	3.3
176.74348	1.7
179.14207	3.8
181.12323	1.6
187.13295	1.6
194.58580	1.7
222.23369	1.5
241.19489	1.9
249.22046	3.1
251.25652	1.6
259.20486	3.7
277.21573	32.0
295.22678	8.0
351.25256	58.9
369.26309	100.0
567.26959	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	566.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05492	2.0
56.05023	2.6
57.03154	1.4
57.03426	15.4
59.17285	1.0
61.02896	2.2
65.03930	1.4
69.03414	12.2
70.06568	1.2
71.01337	1.5
71.04982	51.9
71.70527	1.6
72.79117	1.1
73.02906	15.3
75.04466	4.3
76.02210	1.4
79.05480	2.1
81.03391	2.9
81.07028	1.2
83.04970	12.5
84.08105	1.2
85.02892	100.0
86.00651	1.2
86.06077	1.3
86.09679	1.9
86.99026	1.0
87.04465	2.1
91.05468	14.1
95.04932	1.4
97.02879	24.7
98.09714	4.9
99.04425	2.5
101.06046	1.2
103.03907	2.4
105.06997	1.1
106.60912	1.1
107.04951	2.1
107.08532	1.4
109.02864	1.5
111.04426	8.1
113.04215	3.0
113.05988	1.2
115.03919	14.5
116.01659	2.5
119.66187	0.9
120.08089	1.8
121.02847	1.7
126.05515	1.4
127.03891	6.5
129.05464	35.8
130.05011	1.2
132.06477	1.1
133.04970	2.1
133.06464	2.4
134.59352	1.0
137.05997	1.5
139.03906	1.1
142.32887	1.1
144.06496	1.3
145.04955	6.8
147.06512	19.3
150.07597	2.7
156.08386	5.1
156.10168	5.2
162.02188	2.2
163.06024	2.1
164.09180	3.7
167.07037	1.6
169.04970	2.1
175.07480	1.1
179.04800	2.4
187.05930	1.2
207.13826	2.6
225.07562	9.8
225.14793	8.8
229.05101	1.6
229.54706	0.9
243.08603	4.6
255.08562	2.4
257.04462	8.5
259.08331	2.3
259.11057	22.0
261.03857	1.6
261.09659	2.6
273.03876	8.3
273.09747	1.9
279.10675	5.5
282.09610	1.2
285.03931	18.7
295.05820	1.7
295.10358	1.8
299.05594	1.1
303.04984	16.5
308.09238	2.5
309.11786	3.7
314.07397	1.3
327.05023	2.6
339.04828	2.0
351.04926	1.6
369.06110	3.1
380.08243	1.3
399.10367	1.3
415.10315	1.3
447.09082	3.2
516.13153	3.2
566.16827	1.9
587.91370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.4
65.03920	2.8
67.50073	1.0
68.99776	12.2
69.03403	2.1
69.72902	8.4
70.06573	5.8
72.08114	1.9
75.55102	1.0
75.60517	1.3
81.03459	1.1
84.04513	1.5
84.08152	1.9
85.02863	5.4
86.06035	2.4
86.09694	1.7
87.04441	6.7
93.03355	2.2
95.04917	1.5
97.02874	6.1
98.09740	1.3
104.07077	10.5
107.04920	4.8
109.02837	3.1
110.07131	1.8
111.04418	4.1
119.04881	1.3
120.08062	1.7
121.02847	100.0
121.06508	2.4
123.04389	3.7
127.03844	1.6
135.04404	9.1
137.05957	3.2
139.03874	22.5
149.05923	4.3
151.03873	24.9
152.18042	1.1
159.04337	2.0
161.06015	1.5
163.02498	1.8
163.03886	35.3
165.01784	2.9
173.05934	1.7
175.03893	1.8
177.01912	1.2
177.05432	12.9
181.04944	20.7
183.02905	3.1
187.03793	1.5
189.01724	1.3
189.05376	3.3
191.03336	2.2
191.06966	2.0
193.04999	1.7
195.02875	6.2
201.05420	4.1
203.03392	1.1
203.05965	1.1
205.04930	28.0
207.02800	5.5
215.03331	1.6
216.92743	1.1
217.04950	4.9
219.02882	7.1
219.06348	1.9
223.05798	1.5
225.03894	4.4
227.03214	1.6
229.04904	4.9
231.02858	4.5
233.04591	1.6
235.06020	7.7
243.02820	1.4
245.04364	2.1
247.05989	21.2
249.03847	4.8
255.02950	2.0
261.04013	3.0
264.73880	1.2
265.07007	10.9
273.03857	8.1
283.08020	3.9
285.03793	1.5
289.06985	2.0
291.04861	4.0
295.06012	17.1
301.06662	2.8
307.07883	1.2
309.06067	1.6
313.06979	12.3
325.07022	4.7
325.85181	1.4
327.04645	1.3
343.08051	13.1
344.07324	1.3
358.14517	1.2
359.88559	1.2
367.08032	20.9
379.07974	8.0
397.09103	14.0
409.09119	17.7
427.10352	12.5
445.11237	45.3
463.12253	26.3
530.19006	1.1
593.39679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40265	1.0
53.03931	2.9
55.05499	8.1
56.22864	1.0
56.83303	1.1
57.07064	5.8
59.04950	1.2
65.03934	2.0
67.05493	18.4
69.03420	3.3
69.07061	11.6
69.77191	3.4
69.77618	5.0
71.82588	1.3
79.05481	15.2
81.07044	20.9
81.07480	1.9
83.04973	4.1
83.08588	5.8
85.06536	3.4
91.05468	27.3
91.06036	1.7
92.90343	1.2
93.07035	26.6
95.04960	7.2
95.08590	21.5
97.06513	4.4
97.10159	1.2
100.11252	1.1
103.02225	1.0
103.05450	3.3
105.07016	50.7
107.08573	27.8
109.06500	5.1
109.10142	17.4
111.08079	1.1
113.06037	1.1
113.09679	1.3
115.05449	3.8
117.06986	12.2
119.08563	54.5
121.06490	3.3
121.10127	32.7
123.08038	9.5
123.11683	6.6
125.05991	1.9
125.09631	2.2
128.06200	7.7
129.06984	13.0
130.07774	4.8
131.08553	22.1
133.10110	36.3
135.08044	4.6
135.11693	11.5
137.09569	6.0
139.11176	2.2
141.06972	6.9
142.07753	19.2
143.08542	27.1
144.09323	4.6
145.10100	34.7
147.08040	6.7
147.11688	8.9
149.09622	6.4
149.13271	1.0
151.07588	3.0
151.11226	1.6
152.06142	1.2
153.06990	2.9
154.07745	1.6
155.08519	11.2
155.10580	1.7
156.09341	11.5
157.10101	35.3
158.10857	6.0
159.08035	3.2
159.11694	16.0
161.09602	3.0
161.13263	4.8
163.11176	3.3
165.07014	4.6
165.09100	10.1
166.07794	4.4
166.09163	1.3
167.08572	7.3
167.10637	12.4
168.09355	3.6
169.10107	21.2
170.10878	4.8
171.11656	19.8
173.09685	2.1
173.13217	15.8
175.11128	1.6
175.14803	6.2
178.07782	1.4
179.08553	11.8
180.09346	6.2
181.10117	10.8
181.12183	3.2
182.10939	7.6
183.11679	15.5
183.62897	1.4
184.12433	3.1
185.09773	1.2
185.13235	13.0
187.11073	1.6
187.14777	7.1
189.12749	3.8
190.72537	1.2
191.08621	2.4
191.14316	3.2
192.09351	3.7
193.10089	12.0
194.10904	7.1
195.11674	15.7
196.12505	4.4
197.13246	16.6
198.13914	1.5
199.11079	1.3
199.14793	9.4
201.12955	1.2
201.16336	2.4
203.08507	2.1
203.14227	6.1
204.09300	1.8
205.10139	4.9
206.10933	7.0
207.11700	12.5
207.13680	2.1
208.12430	6.1
209.13217	19.1
209.15211	1.6
210.13989	1.8
211.14764	11.1
213.12642	2.7
213.16396	4.8
215.14337	3.5
217.10115	2.7
217.15906	2.3
218.10930	2.4
219.11668	6.0
220.12439	3.9
221.13240	11.6
221.15388	17.7
222.13953	3.3
223.14790	8.7
224.15602	2.3
225.12827	1.5
225.16440	3.3
229.10106	2.8
231.11592	6.0
232.12482	4.8
233.13245	7.0
233.15422	5.1
234.14059	2.6
235.14761	9.8
237.16306	6.7
239.17899	4.4
243.11749	3.8
244.12508	2.8
245.13307	6.7
246.14059	5.1
247.14821	7.6
247.17026	2.4
248.15425	1.4
249.16400	5.1
251.17993	4.9
253.19563	4.4
255.11604	1.3
257.13248	3.3
258.14072	2.2
259.14789	5.6
260.15543	3.6
261.16284	6.6
262.17169	2.2
263.17844	7.1
265.19385	7.3
267.21222	1.7
269.13412	1.9
269.18994	1.8
270.14035	3.3
271.14804	3.1
272.15643	2.4
273.16382	4.6
275.17950	4.2
277.19479	4.5
279.21115	2.0
281.19180	1.5
283.14728	1.8
283.20483	1.6
284.15601	2.1
285.16071	2.9
287.17719	1.6
289.19611	3.3
291.21198	1.7
293.96884	1.3
295.20367	1.7
299.17514	1.5
300.18842	1.7
301.19415	2.3
303.21097	3.2
305.22806	1.6
313.19400	1.6
315.20959	2.3
317.22552	2.0
325.19278	1.3
327.20926	1.8
329.22720	3.2
331.24249	4.1
335.23712	2.2
343.24063	2.0
347.23798	2.4
357.25745	2.8
365.24750	2.8
373.25269	1.6
385.29147	1.7
407.27982	1.5
425.28394	1.5
453.31317	1.3
459.31705	1.3
473.33994	7.7
485.34222	1.4
491.32578	2.6
509.33942	2.8
537.36859	1.3
547.39233	16.9
565.40332	100.0
566.40747	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	565.1549
Annotation	Kaempferol 3-rhamnoside-4'-xyloside
Peak:m/z	Relative Intensity
53.03926	1.0
53.06739	0.3
55.01848	1.0
55.05480	0.7
67.05472	1.3
69.03395	1.3
69.07057	34.9
70.06563	0.4
71.69990	0.5
73.02887	0.5
73.06195	0.5
73.06548	5.8
79.05485	9.6
80.27693	0.3
81.03407	3.6
81.07053	0.5
83.84439	0.3
84.08123	0.3
85.02892	2.0
86.09682	0.4
91.05428	0.5
91.44541	0.3
95.04919	1.0
97.02856	1.1
97.06516	11.2
98.24260	0.3
99.04396	0.5
99.96760	0.3
107.01282	0.7
107.04861	0.4
109.02843	1.0
115.07542	3.1
120.47165	0.4
121.02854	0.7
125.05980	2.8
127.03865	1.0
136.07646	0.4
137.05954	1.1
143.07014	27.0
145.04877	0.5
155.04868	1.7
161.08073	15.3
163.07538	0.6
167.07010	0.6
171.04414	0.3
179.35654	0.4
183.04373	1.6
187.03949	0.4
201.05417	1.4
205.04895	0.4
211.03879	6.2
219.02971	1.0
225.05435	0.9
229.04948	5.6
239.03296	1.2
243.02979	0.5
243.06438	0.5
245.04543	0.8
253.04875	0.9
256.03659	1.1
257.04413	50.3
258.04813	1.3
260.03201	2.6
261.03915	5.4
263.01941	0.5
267.02795	2.8
269.04385	0.4
269.10303	0.9
271.05875	3.1
273.03891	19.5
274.04623	3.0
275.05270	0.4
281.04419	0.9
283.05963	1.0
284.06891	0.4
285.03894	100.0
286.04318	2.7
287.01822	0.5
287.04883	1.3
287.11154	1.7
295.06055	0.9
297.03867	2.9
298.04523	0.9
299.02100	0.5
299.05392	6.3
303.04947	69.0
304.05240	1.3
305.12268	3.0
311.05511	1.3
313.03687	0.4
313.07025	1.4
315.04919	0.8
323.05469	0.8
325.03387	0.6
327.04941	10.1
328.05246	0.4
337.07092	0.4
339.04938	2.8
341.06238	0.5
351.05054	2.3
357.05969	2.2
369.06067	5.9
379.08151	0.5
381.09683	0.5
387.07001	4.7
405.08081	4.6
427.10153	0.8
445.11215	16.6
475.31528	0.5
529.13434	0.4
547.14587	1.3
565.15277	4.1
566.16327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56800	0.9
52.22320	0.9
53.03917	1.3
55.01868	5.7
55.05501	11.7
57.03439	4.8
57.07063	1.7
59.57154	0.8
61.02901	2.3
65.03928	1.2
67.05494	28.1
67.56969	0.8
68.05849	1.2
69.03407	3.3
69.07052	9.8
70.62978	0.9
71.04968	3.5
71.71791	1.3
73.02863	1.1
79.03757	0.9
79.05480	14.8
80.05820	1.2
81.03412	5.0
81.07044	28.4
82.07381	1.7
83.04966	4.8
83.08612	8.0
85.02900	2.7
85.06520	3.6
91.03944	1.3
91.04922	1.8
91.05463	24.1
92.05774	1.4
93.06496	1.7
93.07027	16.9
94.07352	1.4
95.04401	1.0
95.04959	9.6
95.08588	13.0
97.02865	1.8
97.06508	3.4
97.10141	2.5
99.04379	1.0
99.08083	1.9
105.07016	21.4
106.07327	1.5
107.04942	6.1
107.08572	17.2
108.80683	0.9
109.06511	4.8
109.10144	19.0
111.04424	1.6
111.08064	1.7
113.09615	1.1
117.06970	3.0
118.07291	1.1
119.08566	10.1
121.06461	2.4
121.10133	7.8
123.04404	1.1
123.08038	4.9
123.11674	4.9
125.09611	3.1
127.07553	1.3
128.06155	1.1
129.05461	1.2
129.06987	1.3
129.48012	0.9
131.08559	7.0
133.06531	1.1
133.10103	28.8
135.08008	2.5
135.11685	5.5
137.09604	5.7
145.10080	5.3
145.53996	1.0
147.08032	2.0
147.11665	4.2
149.09624	5.0
149.13182	1.4
151.11176	14.4
155.08511	1.0
157.10071	2.0
159.11668	3.1
161.09598	1.8
161.13206	1.0
163.11179	4.8
165.09116	1.2
165.12758	1.8
167.10609	1.5
169.12151	2.3
173.13234	2.3
175.11090	1.1
176.15205	1.1
177.12688	1.9
189.11354	1.1
193.12251	1.5
215.12709	2.1
218.92212	0.9
247.20479	2.1
253.14320	11.7
257.18875	1.3
259.20419	1.5
260.20923	2.5
267.15942	2.6
271.15317	2.7
273.18481	1.4
275.20047	16.4
276.20236	1.5
285.16953	8.1
287.14755	1.5
293.21100	6.0
334.24664	1.2
343.76974	1.0
349.23727	10.0
367.24741	100.0
385.25806	5.3
483.58002	1.0
529.29932	1.1
546.35034	0.9
564.31104	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	564.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70986	2.2
53.03934	2.0
55.01852	4.9
55.05497	20.0
57.03416	4.9
57.47596	2.1
67.05483	15.9
69.03406	4.3
69.07050	9.4
70.67786	2.1
70.68129	6.3
76.09581	1.8
76.65898	1.8
79.05475	28.8
81.03378	3.7
81.07032	17.5
83.04961	4.2
83.08602	13.1
85.02863	4.3
85.45213	2.0
91.05470	17.5
93.03733	2.2
93.07007	18.3
95.04897	2.5
95.08581	8.7
97.06520	4.7
97.10151	24.6
105.06999	18.7
107.04928	6.6
107.08577	48.7
109.10148	7.2
119.08542	8.5
121.10112	6.4
123.11697	3.7
125.09617	21.4
131.08514	8.0
133.10077	12.4
135.08020	3.2
135.11630	3.5
143.08525	2.9
145.10147	17.0
147.11659	7.7
149.09608	8.0
149.13313	1.8
159.11694	5.3
161.13222	4.2
163.11168	2.7
171.10156	2.2
171.11623	2.2
177.91432	2.3
183.11661	4.3
189.11209	13.5
194.26576	2.0
197.13274	2.9
199.65057	2.2
213.80714	2.0
221.50389	2.2
227.12773	23.4
239.17937	3.7
245.13806	12.8
257.18970	16.0
264.68521	2.1
275.19995	33.1
297.91052	2.3
349.23672	100.0
367.24670	5.8
378.56668	2.2
386.16751	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.4
55.05503	20.4
57.03421	4.1
65.28146	1.9
66.13849	2.1
67.05185	2.3
67.05499	20.8
69.03410	2.8
69.07061	12.4
69.70426	15.9
71.08608	16.6
79.05473	14.4
81.03391	8.2
81.07040	21.6
83.04964	3.0
83.08600	8.7
85.02909	3.0
91.05457	14.2
93.07036	13.0
95.04928	9.3
95.08588	9.0
97.06515	4.4
97.10137	9.9
99.08053	7.6
105.07041	12.5
107.04948	4.5
107.08566	12.3
109.06501	4.0
109.10155	6.0
109.88451	2.3
117.06969	2.2
119.08542	6.2
121.06475	4.9
121.10141	3.2
123.08038	3.2
123.11742	2.7
125.09625	6.6
131.08542	4.6
133.10114	11.9
135.08063	4.4
135.11642	3.2
145.10100	4.3
147.11662	2.5
149.09596	3.1
149.13231	2.8
151.11147	6.1
157.10106	3.4
159.11636	2.4
167.10701	2.7
177.12773	3.0
193.12285	5.5
202.13811	2.1
227.12798	2.4
267.15811	4.2
275.20004	11.0
285.16901	13.1
293.17685	2.9
293.21069	93.8
349.23694	6.0
367.24750	100.0
409.66818	2.1
454.54904	2.6
564.36176	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	564.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01854	3.8
55.05507	10.7
55.05721	2.1
57.03418	4.2
57.29285	2.0
61.99528	1.9
65.19408	1.8
67.05492	25.3
69.03412	3.3
69.07066	13.8
69.58789	17.6
71.04955	2.6
79.05474	22.9
81.03391	2.7
81.07047	66.2
83.04966	4.4
83.08626	11.7
83.09012	2.1
85.02874	2.9
91.05466	16.3
93.07030	20.6
95.04966	7.1
95.08591	15.3
97.06519	7.0
97.10174	2.1
99.08071	2.9
105.07011	21.6
107.04936	6.2
107.08586	9.9
109.06506	27.4
109.10135	8.3
111.08092	2.8
117.06975	6.2
119.08568	21.2
121.06503	3.2
121.10126	9.4
123.08053	7.2
123.11685	4.3
124.34036	2.1
127.03883	2.7
129.06949	3.5
131.08531	8.1
133.10097	13.9
135.11676	7.0
137.09644	4.0
137.45328	2.0
145.10101	10.0
147.11652	13.7
149.09610	7.0
149.13257	6.3
151.11218	2.6
157.10127	4.5
159.11690	8.4
161.13185	3.8
163.11137	3.2
165.12755	3.9
171.11685	2.4
173.13275	4.3
193.12254	2.4
207.13751	2.2
224.12985	2.2
229.19400	2.4
235.57555	2.3
247.20576	2.0
257.18878	4.7
275.20007	67.3
278.78741	2.5
287.02985	2.7
293.21054	14.6
349.23676	100.0
349.28015	4.8
350.23904	3.0
363.58331	2.1
367.24728	82.0
401.23022	3.5
405.56378	2.1
419.24243	6.0
437.25391	4.8
576.01501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01857	4.7
55.05499	12.8
57.03430	5.9
61.02914	2.3
67.05492	28.3
69.03413	2.0
69.07055	15.8
70.33520	2.5
70.33915	3.7
71.04990	2.2
79.05484	24.5
81.03405	4.2
81.07044	72.7
83.04980	4.9
83.08603	7.8
85.02885	3.2
85.06525	2.3
91.03942	1.5
91.05470	19.1
93.07028	18.7
95.04949	8.8
95.08587	15.5
97.06493	8.0
97.10169	1.8
98.80721	1.4
99.08085	1.7
105.07007	19.0
107.04970	7.0
107.08576	15.2
109.06497	22.8
109.10156	7.8
111.08111	3.0
117.07001	5.9
119.08558	17.2
121.06482	3.8
121.10124	10.4
123.08085	6.8
123.11683	3.9
129.06984	2.0
129.65227	1.2
131.08528	7.5
133.06470	1.8
133.10103	11.9
135.08028	2.1
135.11656	6.2
137.09610	2.0
145.06429	1.4
145.10097	7.9
147.11652	12.9
149.09601	6.1
149.13245	4.6
151.11142	2.9
157.10088	2.8
159.11696	7.4
161.13264	2.7
163.11159	4.7
163.14832	1.4
165.12720	2.8
171.11668	1.8
172.37230	1.6
173.13223	3.5
175.11171	3.3
177.12749	2.4
193.12251	2.5
247.20525	3.5
257.19012	4.9
269.17496	3.8
275.19989	34.9
293.21082	8.2
300.29114	1.4
349.23663	73.7
367.24741	100.0
368.25021	1.8
511.29529	2.0
529.30286	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	564.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.2
55.05503	34.6
57.03432	14.0
61.02908	11.1
67.05489	56.8
69.03414	14.0
69.07051	38.3
69.83683	31.5
79.05473	56.8
81.03418	9.7
81.07043	72.5
81.26127	6.3
83.04950	8.2
83.08621	19.8
85.02879	9.7
89.98845	6.0
91.05465	45.7
93.07028	54.5
95.04964	24.2
95.08581	34.9
97.06522	13.7
97.10155	17.4
98.21368	11.6
105.07016	34.3
107.04952	14.3
107.08562	56.2
109.06512	7.0
109.10155	25.8
117.07030	20.6
119.08572	32.0
121.06482	7.7
121.10133	21.6
125.09630	24.3
129.06972	7.8
131.08571	21.6
133.10085	28.0
135.08052	11.3
135.11679	14.4
142.57484	6.6
145.10110	26.8
147.11728	15.6
149.09592	17.2
149.13229	12.0
151.11272	6.1
157.10114	7.3
159.11673	26.9
163.11143	12.3
173.13255	8.4
177.12773	17.0
179.14328	7.8
189.11258	14.1
227.12814	20.5
229.14392	13.4
245.13869	9.8
252.57077	7.0
255.15860	25.7
257.19016	21.8
269.17380	45.0
275.20050	58.8
293.21112	10.2
349.23700	100.0
350.24118	6.6
367.24564	27.8
388.27859	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	564.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01858	4.7
55.05489	13.1
56.03041	3.0
57.03417	10.4
61.02911	6.8
67.05492	40.5
69.03408	5.1
69.07066	15.9
70.23082	7.4
70.23505	10.3
71.04981	5.3
79.05468	23.8
81.03386	5.7
81.07042	51.5
83.04958	4.4
83.08604	9.1
85.02892	5.7
91.05445	20.0
93.07013	37.9
95.04958	4.6
95.08591	15.4
97.02857	4.9
97.06509	13.0
101.78512	3.1
105.07005	15.1
107.04958	5.7
107.08580	23.0
109.06504	3.8
109.10139	4.5
111.08022	5.1
117.06998	11.9
117.21245	3.3
119.08559	12.3
121.10129	10.0
123.51379	3.5
131.08516	12.7
133.10095	14.1
135.11656	14.2
145.10083	7.4
149.09595	7.7
149.13216	19.2
159.11620	20.1
161.13135	3.7
173.13133	3.7
177.12709	26.0
179.14285	9.4
181.12244	3.7
195.13779	9.7
239.17798	5.1
244.00040	3.2
247.20508	3.5
251.16486	5.5
255.15883	43.1
257.18912	4.2
269.17413	100.0
275.19995	18.4
318.99973	3.6
349.23669	39.6
367.24689	15.5
483.86920	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	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	27.0
57.03424	17.4
61.02925	9.6
67.05499	59.6
69.03401	13.2
69.07064	30.9
71.04979	6.7
71.43791	7.7
79.05479	61.6
81.03385	7.0
81.07043	82.0
83.04972	8.4
83.08083	4.5
83.08608	18.2
85.02885	10.1
85.06509	6.2
91.05478	45.3
92.81755	4.7
93.07026	53.6
95.04922	6.2
95.08602	30.0
97.02879	8.3
97.06534	14.0
97.10176	22.2
99.08086	9.8
105.07015	37.3
107.04929	5.4
107.08592	56.9
109.06522	12.5
109.10118	10.0
111.08057	6.2
117.06989	15.3
119.08566	37.3
121.10114	21.8
123.11716	5.1
125.09619	15.2
127.03896	6.1
129.07005	9.1
131.08505	23.7
133.10085	34.9
135.11659	21.0
143.08510	7.5
145.10091	26.3
147.11664	14.1
149.09677	12.9
149.13237	18.3
159.11723	27.5
163.11243	8.9
171.11713	6.4
173.13249	7.4
177.12752	7.1
189.11255	9.5
204.36418	5.1
209.23386	4.7
212.38739	5.2
227.12703	14.1
239.17851	15.6
245.13774	7.9
255.15887	64.4
257.18979	27.4
269.17459	79.1
275.20004	71.7
288.68582	5.3
292.90436	4.5
309.20859	6.3
349.23657	100.0
367.24570	32.2
494.40518	5.2
511.29459	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	563.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.05030	1.1
57.03423	2.2
60.88732	1.0
67.05488	3.7
69.03409	4.1
69.07055	92.6
70.06576	4.4
71.04967	5.3
71.69621	1.0
71.69979	1.6
79.05460	2.8
81.03403	1.9
81.07043	7.7
84.04491	2.4
84.08128	4.2
85.02884	3.2
86.09680	2.0
87.04450	1.2
91.05457	2.2
93.07030	1.1
95.08572	6.9
97.02876	2.7
99.04435	9.4
99.08079	18.4
105.03378	1.5
107.08642	1.3
113.09573	1.8
128.22783	1.0
129.10229	1.5
130.04991	2.2
133.10144	1.2
136.07570	1.7
137.05907	1.8
141.09079	61.3
155.04886	1.0
159.10194	1.9
161.05984	1.2
163.03867	5.7
165.01826	1.2
167.07011	4.5
171.15506	1.2
177.05466	1.6
211.03857	5.6
229.04971	3.5
256.03677	1.4
257.04410	36.4
260.03204	1.4
261.03888	3.8
264.07312	1.1
267.02841	1.7
267.06622	1.6
271.05780	1.6
273.03882	14.7
285.03894	100.0
286.04355	1.6
287.05542	1.4
298.04932	1.3
299.05487	5.0
303.04941	28.4
303.14484	2.8
327.04935	6.6
329.06567	1.1
339.04968	2.4
341.06555	1.1
351.04926	2.0
357.06042	2.3
369.05954	3.5
387.06870	2.4
405.08075	4.3
413.11783	1.2
443.13443	11.6
506.54706	1.1
527.15424	1.1
545.16266	1.8
563.17889	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	563.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	2.3
63.62858	0.9
64.62668	0.9
65.03921	1.3
67.05476	1.6
68.99776	6.3
69.92624	6.2
70.06600	1.7
72.08156	0.9
79.05476	1.8
81.03420	1.1
85.02901	2.1
91.05460	7.4
95.04964	4.1
98.21594	0.9
105.07023	1.3
107.04943	100.0
109.02859	1.0
111.00816	3.3
111.04419	3.2
115.05508	1.1
119.04929	56.1
121.02845	7.1
123.04419	35.7
127.03908	4.2
131.04843	1.5
133.06462	6.0
135.04424	1.4
137.05933	1.7
139.03888	38.0
145.06464	12.3
147.04396	54.7
149.02319	8.7
151.03883	16.4
153.06877	1.7
157.06470	5.8
161.05972	8.2
163.03873	7.9
165.05481	9.1
167.03397	20.8
169.06546	1.3
171.04364	9.3
171.05597	0.9
171.08055	1.2
173.05869	1.4
174.48309	0.9
175.03870	6.2
177.05423	2.1
179.03380	13.9
181.06473	2.7
183.07996	0.9
185.05928	6.6
187.03883	2.4
187.07529	3.9
189.05435	9.1
191.03404	15.7
193.04942	5.8
197.05888	1.5
199.07474	3.0
201.05424	4.9
203.03337	10.2
205.04930	1.6
207.06537	3.4
211.07538	1.4
213.05466	3.5
215.03320	1.5
215.07050	1.1
217.04907	3.1
225.05640	1.2
227.07011	5.8
229.05019	4.7
231.06499	28.1
233.04495	6.9
239.07054	3.2
241.05084	1.4
243.06488	11.8
245.04437	9.6
245.08009	4.7
251.05417	1.9
255.06500	19.4
257.04410	13.8
257.08176	2.6
259.06052	1.9
267.06433	8.3
269.04523	3.2
273.07562	25.9
275.05472	22.7
279.06418	1.0
285.07513	21.2
287.05460	33.3
291.08536	14.6
299.05453	6.5
303.08707	3.7
304.45175	1.1
315.08997	1.0
393.09607	22.8
395.11414	4.4
405.09531	1.8
409.09024	9.2
411.10547	4.4
421.09152	1.1
427.10107	3.0
563.18115	1.3
564.01184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69631	1.9
54.56552	1.8
55.01856	6.4
55.05502	11.9
57.03427	5.8
67.05487	16.1
69.03413	7.3
69.07062	19.5
69.42593	6.1
69.43015	14.1
71.53124	1.8
74.06809	1.6
79.05483	14.4
81.03400	5.6
81.07034	14.3
83.04965	2.9
83.08590	4.9
85.02885	2.1
85.75323	1.8
91.05467	11.7
93.07016	11.0
95.04948	5.9
95.08602	9.3
97.02884	7.7
97.06506	2.9
97.10138	7.9
101.41810	1.8
105.06986	8.7
107.04948	4.3
107.08579	10.1
109.06499	3.6
109.10115	4.8
111.08063	3.2
117.06988	4.0
119.08557	6.6
121.10148	3.6
123.07971	2.2
125.09630	6.4
131.08545	4.4
133.10089	4.0
135.08095	3.1
136.14948	2.2
137.09578	2.5
143.08514	2.1
145.10101	2.8
147.07986	3.8
149.09544	2.2
157.10149	2.9
159.11650	2.3
179.08736	1.8
189.11191	5.5
193.12254	4.2
198.06418	2.1
223.13228	11.7
227.12770	3.8
245.18971	2.8
249.14851	3.0
267.15808	3.3
273.18549	13.0
285.16983	7.3
291.19495	83.4
303.83133	1.9
347.22000	3.8
365.23163	100.0
392.08777	2.8
408.59521	2.4
437.69012	2.1
582.23608	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
53.92669	1.2
55.01855	5.7
55.05506	21.6
56.05830	1.6
57.03416	6.0
60.28002	1.5
61.02924	2.0
65.03950	1.3
67.05496	31.6
68.05828	1.5
69.03409	5.2
69.07060	26.0
70.05843	6.5
70.06548	1.6
71.04973	5.4
79.05486	25.8
80.05814	1.7
81.03413	10.7
81.07047	30.3
82.07341	3.0
83.04981	6.9
83.08604	10.4
85.02885	6.1
85.06527	1.7
91.05473	19.1
92.05765	1.4
93.07026	22.0
95.04952	9.6
95.08592	12.2
96.08939	1.8
97.02896	7.9
97.06525	6.1
97.10167	13.1
98.20807	2.7
105.07029	15.4
107.04935	9.3
107.08590	14.8
108.08910	1.7
109.02886	1.7
109.06503	2.7
109.10143	9.7
110.66644	1.2
111.04424	1.8
111.08064	3.3
114.63294	1.2
117.06993	8.9
119.04974	1.5
119.08561	14.5
120.08861	2.0
121.06499	4.5
121.10120	7.0
123.08052	5.3
123.11672	1.9
125.09605	8.2
129.07001	4.0
131.08556	8.8
133.06444	3.7
133.10138	9.2
135.08028	4.9
135.11694	3.3
137.09628	1.7
143.08542	4.4
145.10075	6.8
147.08034	4.8
147.11667	2.7
149.09589	4.8
149.13237	3.2
154.75330	1.4
157.10146	4.5
159.11691	3.5
161.09592	3.1
163.11182	2.8
165.09001	1.9
171.11700	1.7
172.12000	1.6
173.13208	1.8
175.11192	2.8
177.12766	2.2
181.07817	1.5
189.11148	6.3
193.12181	7.6
211.13309	2.0
223.13271	11.1
227.12788	5.3
249.14792	3.1
253.14293	1.8
255.17284	1.6
267.15778	4.7
273.18433	16.8
275.20050	2.6
276.20297	2.5
285.16977	9.2
291.19513	100.0
292.19797	2.5
347.22153	2.9
350.24164	1.9
365.23203	66.3
366.23428	2.3
544.36627	3.7
562.38055	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	562.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.7
55.01864	12.2
55.05508	19.6
56.05835	2.4
57.03425	9.5
57.07058	2.1
61.02900	2.6
61.06356	1.7
65.03921	1.6
67.05498	47.8
68.05822	2.6
69.03416	7.8
69.07061	14.8
70.06558	2.5
71.04974	5.6
71.70743	2.1
73.02906	1.7
73.34988	2.1
79.05482	32.0
80.05804	3.3
81.03400	8.9
81.07047	56.6
82.07359	4.6
83.04965	11.4
83.08605	8.2
84.08934	1.7
85.02903	4.3
85.06527	6.6
91.05480	42.3
92.05806	2.9
93.07031	36.8
94.07366	3.0
95.04961	13.1
95.08588	23.3
96.08939	2.3
97.02859	2.9
97.06510	8.0
97.10142	2.8
99.04380	2.1
105.07014	34.8
106.07316	2.1
107.04939	6.0
107.08581	35.9
108.08905	2.0
109.06487	7.0
109.10147	43.1
111.04476	3.3
111.08077	3.8
113.05989	2.1
117.06989	7.1
119.08562	11.0
120.08882	3.1
121.06454	4.9
121.10123	8.4
122.10483	1.9
123.08022	3.9
123.11687	7.7
125.09681	3.0
127.03869	3.0
129.06960	2.9
131.08559	11.0
132.08826	1.7
133.06473	5.1
133.10110	55.3
134.10361	1.9
135.08026	5.6
135.11670	6.2
137.09631	2.8
139.07616	2.2
143.08533	2.5
145.10123	5.7
146.10449	2.7
147.08054	3.3
147.11661	6.8
149.09564	7.4
149.13242	2.9
151.11160	21.6
157.10124	2.4
159.08113	2.9
159.11703	3.7
160.12004	2.4
161.09589	6.7
161.13205	2.1
163.11160	2.7
169.12199	6.0
171.11649	2.1
173.13319	2.1
175.11119	2.1
177.09088	2.9
179.10783	1.7
196.14046	1.8
215.12688	4.7
223.13199	2.7
227.17958	2.9
245.19098	3.7
253.14320	100.0
255.17380	2.0
263.20050	3.4
269.13684	2.6
271.15369	16.0
273.18478	18.5
275.20123	6.0
276.20245	7.6
291.19455	19.8
321.24219	1.7
341.15845	2.2
347.22113	5.6
349.23590	3.0
350.24033	4.9
365.23175	57.5
382.26733	1.8
383.24152	1.7
475.90448	1.8
526.56769	2.1
544.36914	4.6
562.38202	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	562.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01863	3.1
55.05508	14.6
57.03426	3.4
61.02904	1.8
65.03901	1.0
65.63453	1.0
67.05186	1.5
67.05504	17.2
69.03423	6.0
69.07061	17.7
70.26480	2.3
70.26870	3.4
71.04965	2.2
79.05486	15.3
81.03413	7.2
81.07046	16.1
83.04981	3.0
83.08601	9.8
85.02893	3.1
85.06480	1.2
91.05472	13.2
92.91342	1.0
93.07034	12.2
95.04961	7.2
95.08580	8.3
97.02885	7.7
97.06508	2.8
97.10149	10.9
105.07008	12.7
107.04943	6.3
107.08578	10.0
109.06484	3.0
109.10139	6.1
111.08079	1.5
117.07004	4.9
119.04914	2.0
119.08564	9.8
121.06482	2.5
121.10120	4.7
123.08021	3.5
123.11688	1.5
125.09624	8.1
128.06195	1.3
129.06972	2.9
131.08514	7.1
133.06483	3.0
133.10118	4.7
135.08052	2.8
135.11696	2.1
137.09567	3.4
143.08530	2.9
145.10143	4.6
147.08015	5.3
147.11702	1.3
149.09634	1.5
151.11168	1.3
151.58911	1.0
157.10129	3.5
159.11682	1.9
161.09590	2.3
162.10481	1.5
171.11629	1.0
173.13284	1.3
175.11156	2.8
189.11182	4.5
189.12764	1.3
193.12207	4.7
195.13812	1.4
205.12238	1.3
211.13203	1.3
223.13271	13.8
227.12801	5.0
249.14861	3.3
253.14444	1.1
263.20181	1.6
267.15820	1.5
273.18369	11.9
285.16995	7.3
291.19510	100.0
292.19907	1.7
305.64960	1.1
343.40921	1.3
347.22098	2.4
365.23175	82.7
366.23456	1.1
403.61154	1.1
435.23383	1.6
527.28577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95411	2.5
52.30285	2.3
53.03936	7.0
55.01852	9.8
55.05484	3.3
55.56091	2.0
57.03430	18.6
57.52011	2.3
58.18669	2.0
58.80079	2.1
59.11500	2.2
60.04527	2.7
61.02914	6.3
67.05482	2.7
68.99773	4.3
69.03419	79.9
70.06571	3.7
70.95605	4.0
71.01352	2.4
71.05001	5.5
73.02900	8.8
75.04451	2.4
75.39378	2.0
76.02213	3.4
79.05500	2.4
81.03397	30.4
81.07047	2.7
83.01313	3.0
83.04964	7.9
84.04488	5.3
85.02892	100.0
87.00816	34.9
87.04441	18.0
91.03949	2.3
91.05486	2.3
93.07040	3.6
97.02878	97.8
99.04428	17.8
102.03010	2.0
105.01857	45.0
105.06945	2.4
107.04922	2.6
108.04456	2.5
109.02856	36.7
111.04420	7.0
115.03918	34.9
116.01621	2.2
117.01850	4.0
121.02846	3.5
123.04465	2.9
125.02388	2.8
126.05518	2.1
127.03900	81.1
129.01857	2.5
129.05453	3.7
130.04976	2.3
131.52864	2.6
133.04932	16.1
137.05949	8.8
139.03893	6.0
145.04935	45.9
147.02834	3.9
149.05856	3.3
150.07603	14.2
150.08698	2.3
151.03888	3.2
159.02850	18.5
159.11699	2.3
162.02135	3.5
167.07076	2.5
177.05493	7.7
179.04834	6.3
183.02899	2.8
189.03876	4.0
189.09039	14.3
205.04851	4.2
207.10225	2.8
213.04012	3.6
223.05974	6.5
231.04941	17.4
231.10124	7.2
241.07063	9.7
249.06136	5.4
266.08698	2.3
273.06107	3.0
273.11212	5.5
283.10745	4.1
284.10995	5.3
301.11865	2.8
302.12265	2.5
308.09097	4.8
309.05841	2.5
319.12753	3.8
320.13034	4.1
327.07104	9.4
345.07953	11.2
527.09027	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.0
53.03935	5.2
55.01870	4.9
55.05503	25.0
57.03433	4.5
57.07068	3.2
65.03938	4.3
67.05494	91.6
69.03414	2.8
69.07051	20.7
69.07418	1.2
69.36716	10.1
69.37132	2.8
71.04980	45.1
73.06562	1.4
77.03924	1.1
79.05477	66.2
81.03442	2.0
81.07043	100.0
83.04961	9.5
83.08601	12.9
83.09008	1.2
85.02917	1.7
85.06521	7.6
91.05464	60.1
93.07029	64.6
95.04950	12.0
95.08589	44.9
95.09187	2.4
97.06516	8.8
97.10170	5.2
98.20672	2.8
99.08099	3.5
105.07011	42.4
107.04966	3.2
107.08574	34.7
109.02863	1.1
109.06544	4.5
109.10136	17.8
111.08095	5.0
113.09669	1.2
117.07001	13.7
119.08553	19.8
121.06554	1.4
121.10124	23.8
123.08089	2.7
123.11683	16.0
125.09642	3.1
129.06924	5.3
130.07796	1.4
131.08551	20.2
131.09456	1.6
133.10107	32.7
135.08105	2.4
135.11662	17.5
137.09628	1.7
139.11208	1.2
143.08585	3.5
145.10080	10.8
147.11662	10.6
149.09619	1.7
149.13235	13.0
151.11151	15.0
153.12788	1.3
157.10190	3.8
159.11638	14.6
161.13199	6.2
163.11217	2.6
165.12766	1.5
169.10132	3.0
169.12334	1.5
171.11739	4.4
173.13336	4.9
175.11214	1.3
175.14830	2.4
177.12820	3.5
179.14268	1.5
183.11954	1.9
183.13780	15.9
185.13278	1.9
187.13402	2.9
187.14890	2.5
187.93053	1.2
189.11206	1.3
195.13776	5.3
197.13428	1.8
199.14876	2.4
227.12880	2.1
227.16469	2.4
243.21147	1.2
253.14500	2.9
253.18019	3.1
257.17459	1.9
259.20770	2.1
261.22263	3.0
269.17517	2.9
273.18781	1.3
275.20078	5.5
283.15720	1.5
283.19128	2.3
285.17078	4.1
291.19687	2.4
293.21198	2.1
317.24844	2.1
335.25787	1.6
349.23874	1.5
349.27618	1.8
357.28082	1.4
361.27811	1.5
363.25418	3.4
379.46179	1.2
419.33142	1.3
437.34238	3.3
455.35611	2.6
490.44559	1.2
517.38861	19.2
529.38733	24.5
530.39844	1.2
543.36792	3.9
561.41577	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.0
53.03939	4.4
55.01847	4.0
55.05503	23.5
55.97905	0.8
57.03429	3.4
57.07063	2.3
59.04975	1.4
61.02924	1.0
62.28849	0.7
64.82536	0.7
65.03943	4.3
67.05496	83.3
68.55051	0.6
69.03407	3.4
69.07059	17.5
71.04982	51.0
71.08613	2.3
79.05483	59.8
80.05806	0.7
81.03423	2.3
81.07044	100.0
82.25470	0.7
83.04971	10.5
83.08607	12.1
85.06538	5.4
87.04457	1.2
91.05019	0.8
91.05466	59.7
93.07030	63.5
95.04964	9.6
95.08591	35.4
97.06520	10.6
97.10158	2.8
98.21461	2.0
99.08073	2.7
103.05418	1.7
105.04538	1.6
105.07014	31.2
105.07726	1.7
107.04953	0.9
107.08580	33.7
109.06525	4.0
109.10141	15.1
111.08054	4.0
113.09663	1.0
117.06999	11.0
119.08563	15.3
121.06527	1.0
121.10131	24.9
123.08057	2.3
123.11690	18.0
125.09661	2.2
129.07013	2.3
131.07651	0.6
131.08543	15.4
131.09453	1.1
133.10112	28.4
135.08093	2.0
135.11684	13.8
137.09631	0.7
139.11162	1.4
143.08623	1.2
145.10109	7.1
147.08138	0.8
147.11618	5.0
149.09616	2.4
149.13223	13.9
151.11153	14.0
157.10149	1.4
159.11682	13.6
161.13222	4.0
163.11230	1.4
165.12737	1.4
169.10088	1.0
169.12248	1.2
171.11729	1.9
173.13222	3.8
175.14793	1.6
177.12726	5.0
183.13785	16.6
185.13303	1.3
187.13286	1.9
187.14853	1.8
195.13774	6.5
201.16522	0.9
209.15442	1.1
213.14763	0.8
213.16527	0.8
215.47214	0.7
219.17467	0.7
227.16551	1.9
243.21164	0.9
257.17416	1.2
261.22122	4.1
269.17609	2.8
275.20050	4.0
277.21548	1.0
283.19153	2.9
285.17017	4.4
293.21002	5.8
315.23035	1.1
335.25970	1.9
349.27466	0.9
361.27664	1.9
363.25430	2.8
373.82773	0.8
376.91318	0.9
437.34213	0.9
517.38837	23.5
529.38898	8.9
543.36981	3.5
561.41595	61.8
562.41779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01862	2.1
55.05502	20.9
57.03425	4.1
57.07063	2.9
58.48029	1.1
59.04985	1.5
65.03931	4.6
67.05494	78.0
69.03417	3.1
69.07059	16.2
69.38691	12.1
70.66239	0.9
71.04980	51.1
71.08589	1.0
79.05481	58.8
81.03406	1.9
81.07042	100.0
82.07368	1.2
83.04975	12.9
83.08608	10.2
85.06524	6.0
90.66708	0.9
91.05000	1.0
91.05463	59.8
93.07027	65.2
95.04951	8.3
95.08588	37.8
97.06511	8.8
97.10160	3.5
99.08059	2.5
105.04463	1.3
105.07008	31.2
107.08576	34.3
109.06497	3.5
109.10141	14.7
111.08068	4.0
115.05402	1.4
117.06989	10.5
119.08573	13.3
121.06498	1.3
121.10116	23.5
123.08087	2.3
123.11691	19.3
125.09636	2.1
131.08543	14.5
133.10107	30.9
135.08070	1.6
135.11667	15.6
143.08553	1.3
145.10069	7.0
147.11661	6.4
149.09511	1.1
149.13246	14.2
151.11150	16.1
153.12770	1.7
157.10129	1.2
159.11681	11.4
161.13205	5.5
163.14816	1.3
165.12761	1.9
169.12231	1.5
171.11746	1.3
173.13239	3.2
175.14883	1.9
177.12775	4.3
183.13777	19.4
183.15268	1.7
185.13354	1.0
187.13257	3.1
187.14818	2.0
193.16571	1.1
195.13823	4.7
201.14822	1.4
213.14851	1.9
227.16467	1.9
243.21120	1.5
259.20563	1.1
261.22144	3.1
269.17535	2.6
275.19998	1.7
283.18930	2.5
285.17010	3.1
293.21140	1.4
317.24689	1.4
335.25937	1.5
349.27432	1.2
361.27322	1.6
363.25266	5.0
463.82150	1.1
511.37344	1.1
517.38867	27.5
529.38873	11.8
561.41455	62.0
562.41687	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01866	14.2
55.05505	41.5
57.03410	8.3
57.07051	3.8
65.03926	2.5
66.55992	1.9
67.05145	5.1
67.05495	89.6
69.03429	2.5
69.07056	39.3
71.04977	6.6
71.14926	3.9
75.87066	2.1
79.05482	62.6
81.03391	6.7
81.07045	100.0
83.04961	16.3
83.08611	27.6
85.02876	2.5
85.06510	4.0
91.05466	50.2
93.07032	71.0
95.04955	29.3
95.08595	38.6
97.06509	20.9
97.10142	9.0
99.04420	2.0
99.08022	3.1
105.07013	39.0
107.04930	9.2
107.08579	48.0
109.06499	10.3
109.10127	19.6
111.04432	6.3
111.08067	12.0
117.06991	16.2
119.08550	30.2
121.06461	5.8
121.10121	28.0
123.08051	6.8
123.11672	8.2
125.09586	9.7
127.07467	2.1
129.06975	8.9
130.07771	2.7
131.08536	24.7
133.06505	3.8
133.10117	27.6
135.08006	7.3
135.11696	17.5
135.12585	3.1
137.09592	4.3
139.11162	3.8
141.06895	3.0
143.08534	9.4
145.06409	2.5
145.10092	19.4
147.07999	3.1
147.11661	14.7
149.09583	18.5
149.13213	22.1
150.14626	2.4
151.11098	4.6
153.09004	4.0
155.08505	4.2
157.10088	9.0
159.11671	21.1
161.09586	4.4
161.13252	5.2
163.11148	17.5
165.12735	5.0
169.10100	3.8
171.11659	5.9
173.09711	2.2
173.13211	6.1
175.11087	2.8
177.12750	7.0
179.14200	2.4
180.07553	2.2
181.10042	3.4
183.11723	4.9
185.13144	3.8
187.11150	2.5
189.11201	8.8
191.10504	2.2
195.13715	7.4
197.13286	3.8
205.12106	3.8
209.11606	2.9
211.13110	2.7
215.17769	2.8
223.13249	26.3
227.12703	7.8
229.19595	2.6
239.17949	2.6
257.18930	9.9
259.20599	5.9
262.38751	2.3
267.15924	3.1
269.17444	17.6
275.20041	55.7
293.21103	24.0
331.22641	2.7
333.24564	2.7
349.23636	12.8
410.93112	2.3
412.05304	2.4
451.32050	9.4
453.85538	2.8
469.32910	7.3
525.35553	7.7
543.36719	36.4
561.37854	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01867	12.8
55.05505	40.9
57.03422	9.9
57.07059	3.1
65.03919	6.4
67.05496	88.2
69.03427	4.2
69.07056	38.1
70.04655	8.4
71.04985	7.2
71.08617	2.0
79.05482	69.7
81.03401	8.5
81.07043	100.0
83.04969	18.4
83.08608	32.1
84.87444	1.5
85.02894	3.4
85.06521	5.0
91.05466	47.6
92.05743	1.5
93.07028	81.8
95.04956	44.4
95.08589	39.1
96.05329	2.3
97.06522	15.8
97.10146	11.5
99.04449	10.5
99.08105	3.8
105.04528	1.9
105.07019	33.1
107.04942	10.4
107.08578	53.0
109.06490	13.9
109.10134	17.4
111.04426	14.7
111.08050	10.4
115.05481	2.3
117.06998	20.1
119.08566	20.9
121.06482	7.7
121.10119	31.1
123.08051	5.7
123.11714	4.6
125.05994	1.5
125.09676	10.0
128.06313	2.3
129.07018	6.1
131.08537	23.0
133.10107	25.9
135.08035	7.6
135.11665	20.9
137.09608	4.2
139.11188	4.5
143.08551	5.1
145.06477	1.8
145.10104	22.0
147.08032	5.0
147.11646	12.9
149.09613	23.2
149.13229	20.2
151.11253	4.6
153.12788	1.8
155.08502	3.0
157.10150	5.2
159.08081	1.9
159.11652	17.9
161.09625	2.0
161.13272	3.6
163.11153	16.7
165.12788	4.0
167.10562	1.8
169.10094	3.7
171.11656	4.1
173.09529	2.2
173.11845	1.8
173.13264	6.8
175.11220	2.5
177.12779	5.2
179.14330	1.9
181.12198	3.7
183.11732	2.6
185.13226	2.1
187.11130	2.6
187.14763	3.0
189.11189	9.2
193.12215	2.2
195.12093	1.6
195.13858	5.2
197.13319	2.2
205.12184	2.8
223.13242	44.1
223.15263	2.7
227.12766	4.4
227.83232	1.5
229.19511	2.3
239.18027	4.0
247.20607	3.1
257.19067	6.7
269.17447	9.3
275.20026	52.1
291.19653	3.1
293.21075	27.8
317.24356	2.1
331.22696	1.7
349.23825	9.6
451.31967	3.0
469.33176	4.9
525.35522	3.7
534.48444	1.9
543.36719	15.9
561.37793	84.5
562.37439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15926	1.5
51.02349	1.5
53.03924	6.3
55.01845	6.3
55.05493	29.3
57.03433	11.2
57.07053	3.9
59.13294	1.5
60.58473	1.6
65.03920	4.5
67.05489	83.6
69.03420	3.7
69.07049	28.1
71.04977	28.1
71.08610	5.4
77.03924	2.2
79.05474	64.4
81.03390	3.5
81.07037	100.0
83.04964	10.5
83.08598	16.4
85.06514	5.0
91.05458	52.6
91.06034	1.9
93.07024	80.2
95.04949	13.7
95.08578	63.1
97.02881	2.1
97.06518	10.5
97.10150	4.4
99.04401	2.0
99.08078	3.8
103.05408	1.6
105.06312	1.0
105.06998	37.2
107.04935	6.5
107.08565	54.1
109.06484	5.6
109.10128	25.4
111.08057	3.9
117.06985	18.3
117.32442	1.8
119.08548	24.3
121.06481	5.8
121.10122	30.9
123.08087	2.1
123.11674	12.8
125.05923	2.3
125.09591	3.8
129.06975	5.4
131.08537	20.4
133.10103	27.9
135.08057	4.0
135.11656	46.2
143.08511	6.3
145.10083	28.1
147.11623	9.6
149.09587	4.2
149.13226	13.8
151.11153	9.2
155.08479	2.3
157.10121	3.3
159.11641	10.4
161.13226	7.6
163.11163	30.4
163.14763	3.9
171.11725	2.3
173.09595	1.7
173.13232	5.5
175.11153	1.8
177.12729	2.9
179.14288	2.7
181.12218	6.2
183.13779	5.6
187.14819	3.0
195.13794	3.8
227.12723	62.9
227.16115	2.4
229.83676	1.8
233.22441	1.8
243.21019	5.7
253.14288	4.4
261.22052	19.7
269.17303	2.6
275.19977	8.5
283.15317	22.8
291.19440	6.4
293.21002	14.0
317.24615	10.2
335.25708	42.0
356.45190	1.9
437.34174	2.6
469.32941	2.4
517.38800	11.2
529.38849	13.7
543.36664	29.8
561.41736	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	561.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01431	0.8
51.02364	1.0
53.03941	4.1
55.01865	4.8
55.05280	0.8
55.05507	10.2
55.58783	0.9
57.03432	15.1
61.02620	1.4
61.02918	23.4
63.95072	0.7
65.03918	1.5
67.05497	20.8
69.03419	14.1
69.07050	7.9
69.38458	9.0
70.06567	2.8
71.01323	1.6
71.04992	7.9
73.02907	11.3
78.04017	0.8
79.05481	19.6
81.03410	11.4
81.06599	1.5
81.07045	19.8
83.04517	1.3
83.04974	18.3
83.08598	3.3
84.08124	5.5
85.02896	20.8
85.06522	2.9
91.03948	12.3
91.04916	1.7
91.05470	23.9
91.06036	1.5
93.06502	1.5
93.07033	16.7
95.04945	10.5
95.08602	10.1
97.02882	16.2
97.06512	3.9
97.10146	2.4
99.04445	7.3
100.40952	0.9
101.02357	3.1
105.03351	0.8
105.07024	16.9
107.04936	12.4
107.08585	7.9
109.02847	2.8
109.06503	21.7
109.10129	3.4
111.04414	3.9
111.08024	2.5
111.11596	0.9
113.05952	1.0
115.03889	1.4
115.05442	1.6
117.06989	11.0
119.04937	1.2
119.08575	12.2
121.02853	1.0
121.06509	6.6
121.10143	4.5
123.04419	2.8
123.08044	3.7
123.11672	1.1
125.05960	5.9
125.09551	1.9
127.03904	4.3
128.06183	3.3
129.07013	8.4
129.10213	1.6
130.07726	0.8
131.04915	0.9
131.07033	0.9
131.08562	10.8
132.05699	1.1
133.02808	1.2
133.06447	5.1
133.10094	8.5
135.04405	1.1
135.08046	5.1
135.11676	5.3
136.07521	1.3
137.05943	2.8
137.09615	2.8
139.07513	1.6
141.06952	3.7
142.07755	0.9
143.08551	4.5
144.05678	1.1
145.04939	1.8
145.06438	5.7
145.10094	8.8
147.08029	6.1
147.11658	4.0
149.05954	1.6
149.09589	3.8
151.07516	4.2
154.07758	1.2
155.08554	4.9
157.08936	1.3
157.10081	6.6
159.08044	14.9
159.11676	4.9
161.09564	9.8
161.13200	2.2
163.07509	2.4
163.11150	6.1
167.06995	1.3
167.08557	1.2
169.08852	0.9
169.10075	4.8
171.11708	4.9
173.09581	8.2
173.13295	2.5
175.07512	2.6
175.11163	8.8
177.09082	3.0
177.12769	4.3
181.10062	1.8
181.12222	1.6
183.11650	3.2
185.09508	1.8
187.11154	5.1
187.14790	2.4
189.09056	1.5
189.12709	2.7
191.10681	1.2
191.14313	1.2
193.10202	1.1
193.12059	1.1
197.13158	2.1
199.07365	1.3
199.11133	2.9
201.12660	1.7
205.15843	2.6
213.12762	1.0
215.14291	5.3
217.12265	2.7
219.13730	2.8
225.16325	2.4
229.12119	1.3
231.13770	1.4
233.15312	9.0
235.14867	2.1
237.15036	1.1
243.17604	4.3
249.14816	1.1
253.15935	5.3
255.15863	1.0
257.04327	1.1
261.18573	6.2
267.15897	1.2
271.16910	24.9
273.18423	1.1
279.15866	1.4
285.03885	1.0
289.17941	60.9
290.18430	1.7
307.19022	6.3
323.18500	1.8
342.55231	0.8
345.20505	6.4
351.12329	1.4
363.21622	100.0
364.21924	4.5
381.22632	6.9
430.97244	1.1
525.27185	1.0
528.89581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
53.17920	0.9
55.01860	3.7
55.05507	11.5
57.03429	12.7
59.04973	1.0
60.04517	1.4
61.02917	16.6
61.65363	0.9
65.03921	1.7
67.05500	18.6
69.03419	7.4
69.07065	4.9
70.06583	2.1
71.04972	3.2
71.06918	0.9
73.02915	7.6
79.05483	24.0
80.19489	0.9
81.03407	8.3
81.07045	35.9
83.04970	23.7
83.08603	3.9
84.04487	2.2
84.08148	7.9
85.02895	12.6
85.06535	1.5
87.04457	0.9
91.03941	7.2
91.05470	19.2
93.07030	16.9
95.04964	6.8
95.08598	9.7
97.02882	9.7
97.06506	2.5
97.10140	2.0
98.20728	2.1
99.04446	8.7
99.08064	1.1
101.02350	1.3
103.05445	1.2
105.03392	1.0
105.07017	12.7
106.62428	0.8
107.04950	9.3
107.08586	7.2
109.02851	1.9
109.06499	16.7
109.10143	7.2
111.04408	3.3
111.08078	2.0
113.05954	1.3
115.05473	1.7
117.07002	8.0
119.04931	2.3
119.08572	9.5
121.02793	1.0
121.06499	5.1
121.10142	6.1
123.04404	2.8
123.08033	4.3
123.11693	1.2
125.05987	8.5
125.09604	3.1
127.03907	2.6
128.06145	1.3
129.06992	5.6
129.10239	2.4
131.04947	1.2
131.08543	11.3
133.06467	3.9
133.10117	5.4
135.08029	6.6
135.11681	3.4
136.07503	1.1
137.05960	3.2
137.09601	2.4
139.07561	1.3
139.11192	1.0
141.07018	1.2
142.07718	1.1
142.38513	0.9
143.08527	3.6
145.04941	1.1
145.06444	2.9
145.10069	4.9
147.08075	4.2
147.11670	2.3
148.76070	0.9
149.05960	2.3
149.09590	4.5
151.07524	6.6
151.11090	2.0
155.08498	2.5
157.10107	3.6
159.08035	7.1
159.11671	3.0
161.05946	1.3
161.09628	5.1
161.13174	1.5
163.07518	4.0
163.11148	6.3
165.09177	2.1
169.10045	1.7
171.11652	3.7
173.09615	3.2
173.13145	0.9
175.07526	1.3
175.11194	2.0
177.09090	3.2
177.12717	4.9
187.11160	1.6
189.11156	2.3
189.12735	1.6
191.10779	1.2
197.09575	1.1
198.66765	0.8
199.10999	1.0
201.12704	1.1
205.12271	1.3
205.15848	3.8
215.14326	1.6
217.12231	2.2
219.13719	1.1
225.16374	2.4
229.14316	1.4
233.15359	9.9
237.15073	1.4
241.14246	2.2
243.17429	3.3
253.16014	2.3
261.18427	9.9
271.16968	13.9
289.17938	76.3
307.19043	9.8
335.73019	1.0
344.46747	1.0
345.20486	3.5
363.21609	100.0
364.21945	3.7
381.22739	4.9
387.13998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95394	4.3
55.01846	10.5
55.05495	20.5
56.05009	6.8
56.36110	4.3
57.03423	14.4
60.04517	15.5
61.02911	4.5
67.05498	41.3
69.03411	9.7
69.07047	11.0
69.71745	36.9
70.06573	20.0
79.05479	35.9
81.03407	18.6
81.07049	45.3
83.04971	16.5
83.08604	8.8
84.04486	22.5
84.08134	54.2
85.02876	7.7
85.08455	5.9
91.05459	47.8
93.07031	28.5
95.04964	32.9
95.08595	29.2
97.02863	6.7
97.06517	10.2
98.31617	4.8
105.07018	38.1
107.04936	40.5
107.08585	19.3
109.06495	19.8
109.10127	11.4
111.04429	5.8
117.06994	15.7
119.08549	26.2
121.06493	14.2
121.10132	12.8
122.07250	6.0
123.11638	4.5
125.09657	6.4
129.06995	8.7
129.10211	19.2
130.04959	4.9
131.08571	20.6
133.06451	13.3
133.10066	13.7
135.08026	11.0
135.11707	6.2
136.07487	9.2
143.08574	8.3
145.10127	11.0
147.08011	12.4
149.02341	41.4
149.09598	10.0
149.13211	6.2
150.02661	16.5
159.11700	4.9
161.09630	9.5
163.11148	4.9
171.11664	7.1
173.13083	5.4
183.11726	5.4
187.11343	5.2
205.08521	7.8
206.08855	6.6
206.65283	5.6
233.15337	16.6
261.17908	4.6
275.19952	8.6
290.18799	12.7
307.18948	12.4
335.18307	11.1
381.22659	100.0
485.78226	4.7
503.19275	5.6
543.36847	6.4
561.36774	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	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.7
55.01865	5.6
55.05498	32.4
57.03434	12.8
60.45537	2.4
65.03940	4.7
67.05496	100.0
69.07054	24.4
69.36314	26.0
79.05020	5.9
79.05479	94.3
80.05803	2.4
81.03398	10.7
81.07044	84.9
83.04971	12.7
83.08624	15.6
85.06521	4.6
91.05467	68.4
93.07027	81.8
95.04941	21.8
95.08008	3.9
95.08587	57.4
97.06503	6.6
97.10161	6.2
105.07009	52.6
107.04917	7.1
107.08573	34.7
109.06510	6.0
109.10149	16.7
111.07996	3.0
117.07001	13.9
119.08574	33.6
121.06480	4.2
121.10158	20.1
123.08055	6.8
123.11709	4.5
128.06245	4.2
129.06981	16.7
131.08565	19.6
133.10083	19.1
135.11653	16.9
143.08575	10.7
145.06432	2.8
145.10107	20.8
147.11635	33.2
149.13235	9.1
157.10152	6.0
159.11670	7.4
161.09636	4.0
161.13240	15.4
165.25729	2.6
169.10136	2.8
171.11653	25.1
173.13269	7.2
181.10226	2.8
183.11725	2.9
185.13228	4.1
187.14630	2.9
189.12729	11.4
199.14824	4.8
207.13774	25.0
243.21045	5.7
259.20480	2.9
261.22116	14.3
279.15826	3.2
281.14514	4.2
281.17444	52.0
327.73895	3.2
333.24026	2.8
335.25742	42.6
449.34088	3.7
467.35281	3.9
541.38916	66.9
559.40259	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	561.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03940	6.8
55.01867	17.3
55.05237	1.6
55.05502	27.5
57.03431	14.2
57.07066	3.2
58.05080	1.2
61.02912	3.6
65.03923	3.7
67.05499	84.0
69.03420	27.2
69.07059	27.7
69.38476	1.3
71.01983	1.9
71.02325	2.8
71.04993	9.5
71.08611	1.8
73.02912	26.0
73.74414	1.3
75.04470	1.9
76.54096	1.3
79.05483	61.7
81.03403	24.7
81.07046	100.0
83.04970	12.3
83.08617	14.3
85.02896	22.1
85.06521	3.8
91.05466	41.6
93.07032	65.6
94.07376	1.7
95.04964	14.1
95.08595	54.3
97.02873	9.9
97.06523	12.9
97.10156	5.9
97.54093	1.3
98.57840	1.3
99.04453	13.0
99.08092	3.3
105.07014	32.8
107.04947	8.0
107.08581	41.2
109.02868	30.9
109.06500	8.0
109.10145	30.9
110.03639	3.9
111.04431	31.1
111.08075	6.7
117.07003	15.2
119.08571	28.7
121.06470	4.3
121.09261	1.9
121.10122	29.5
123.08057	3.5
123.11691	11.1
125.09606	5.4
127.03919	17.0
129.06956	7.2
131.08559	22.6
132.99527	13.8
133.10112	21.5
135.08029	4.4
135.11691	21.7
137.09605	3.2
137.13202	3.1
139.11192	3.8
141.06920	2.2
143.08559	5.6
145.04912	1.5
145.10114	16.4
147.08040	2.2
147.11664	19.0
149.09634	8.4
149.13235	18.7
149.95975	1.3
151.00554	3.9
151.11130	2.8
153.39424	1.2
155.08521	2.1
157.10095	6.4
159.11690	17.0
161.09619	1.9
161.13220	9.7
163.11165	9.4
163.14775	4.0
165.12732	4.0
166.07619	1.6
167.14281	1.6
169.10143	2.1
171.11670	5.2
172.99039	2.5
173.13274	9.1
175.14777	4.1
176.92738	1.2
177.12697	5.2
179.14278	2.8
181.10248	1.5
183.06522	1.4
183.11687	3.0
185.13216	2.9
187.11136	1.9
187.14793	5.8
191.00066	16.9
193.12201	2.6
195.12025	1.4
195.13777	5.2
197.13193	1.5
207.13747	1.8
209.01079	3.6
213.14764	1.5
215.14342	1.8
223.13261	4.6
227.12750	5.0
239.17996	2.0
243.21034	4.3
247.20673	2.0
257.18997	3.6
259.20648	2.1
261.22113	20.2
267.15921	2.1
269.17377	11.3
275.20032	31.3
277.21567	1.8
285.16959	1.7
293.21124	6.7
303.23193	2.6
315.23065	2.8
317.24744	1.9
333.24100	2.7
335.25766	18.3
349.23755	10.1
354.18497	1.3
367.24924	1.7
451.32074	3.4
454.29877	1.5
469.32962	3.8
475.52362	1.4
515.37457	1.7
525.35486	4.1
543.36719	22.0
561.27014	31.7
561.37439	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
55.01878	2.7
55.05505	31.6
57.03419	10.1
57.07050	5.1
65.03938	3.9
67.05138	4.8
67.05498	98.2
69.07059	23.3
70.84308	7.9
71.04979	3.0
79.05486	90.4
81.03401	7.8
81.07048	88.7
83.04977	15.2
83.08600	12.2
85.06553	4.0
91.05470	70.6
93.07036	100.0
95.04954	26.6
95.08002	4.3
95.08594	66.8
97.06517	6.8
97.10143	4.4
103.05473	2.9
105.07019	49.4
107.04935	8.2
107.08580	36.6
109.06511	8.0
109.10152	20.6
111.08038	6.1
117.07004	15.5
119.08571	32.8
121.06478	5.3
121.10120	23.4
123.08047	7.5
123.11691	5.5
128.06166	2.8
129.06966	14.6
131.08551	20.0
133.10106	22.2
135.11688	12.6
137.13289	2.8
143.08540	10.9
145.10120	20.4
147.11667	45.1
149.13225	9.7
155.08517	3.3
157.10147	4.0
159.11653	8.5
161.09578	4.6
161.13251	16.5
163.14871	4.0
169.10153	4.1
171.11678	25.3
173.13269	8.3
185.13170	2.4
189.12674	13.4
195.11775	2.3
197.13268	4.5
199.14870	3.6
207.13762	29.3
225.14645	2.4
243.21106	5.7
261.22122	15.0
279.15985	7.3
281.17462	37.0
335.25735	64.4
449.33911	5.7
467.35162	4.8
485.36020	4.5
541.38855	83.4
542.38928	3.9
559.39941	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01643	1.1
55.01861	10.1
55.05503	35.3
57.03410	5.6
57.07055	3.2
64.90795	1.2
65.03914	3.8
66.90351	1.4
67.05492	70.7
69.03415	10.7
69.06690	2.2
69.07055	41.5
70.94689	1.5
70.95019	3.2
71.04977	7.0
79.05476	56.8
81.03396	6.8
81.07041	74.4
83.04961	7.4
83.08606	15.9
85.06506	3.8
91.05463	35.4
93.07026	53.5
95.04947	15.5
95.08591	29.3
95.39783	1.3
97.02876	9.6
97.06514	11.0
97.10143	13.9
99.08087	2.3
103.05434	1.6
105.07004	23.5
107.04953	9.5
107.08575	31.9
109.02828	2.1
109.06483	8.0
109.10132	12.4
111.08050	6.1
115.05415	2.3
117.06998	13.3
119.08562	15.3
121.06492	6.2
121.10101	15.0
123.08049	4.6
123.11671	4.1
125.09580	10.4
129.06938	5.1
131.08533	17.3
133.06447	3.9
133.10094	14.0
135.08014	5.6
135.11658	6.4
137.09616	3.9
139.11115	2.6
141.07002	1.8
143.08551	5.4
145.06386	2.2
145.10075	11.3
147.07988	6.2
147.11671	7.3
149.09590	5.4
149.13220	17.0
151.11189	1.9
153.09126	2.3
155.08472	1.7
157.10161	4.3
159.08000	2.4
159.11668	9.1
161.09569	4.5
161.13306	2.4
163.11189	3.6
165.09126	1.7
165.12823	1.5
169.10069	1.7
171.10249	1.7
171.11690	2.9
173.13203	2.4
175.11159	2.5
177.12746	4.6
181.10129	1.4
185.13188	2.4
187.11205	1.6
189.11163	4.5
193.12193	1.9
195.13663	7.3
197.13235	1.9
199.14700	1.6
205.12111	2.4
223.13203	17.5
227.12759	3.9
231.17543	1.4
240.35391	1.6
245.19081	2.8
249.14844	1.6
255.17447	2.4
269.17392	2.9
273.18466	17.8
275.20023	4.0
281.18842	1.4
291.19473	99.5
292.19846	1.5
309.20810	1.3
315.23163	2.0
347.21951	2.2
365.23166	2.0
422.73599	1.4
467.31656	3.8
468.49155	1.3
485.32687	1.6
541.34833	11.2
559.36188	100.0
560.36212	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	559.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
61.70888	0.5
63.50325	0.6
65.03933	3.5
65.48451	0.5
68.99780	0.9
69.03417	1.3
69.90334	2.0
69.90759	1.3
70.06575	3.4
81.03396	2.1
81.09422	0.5
84.08150	0.5
85.02912	1.0
86.09682	1.7
95.04935	0.6
109.02881	1.2
111.04414	4.0
121.02847	100.0
121.03841	3.1
127.03893	2.2
137.02327	31.4
137.03400	1.6
173.05827	0.5
189.80391	0.5
199.03961	0.7
205.15108	0.6
211.03929	1.9
217.04926	1.5
227.03329	3.5
229.04948	1.5
231.02831	0.7
241.05072	0.8
245.04483	2.7
255.02756	3.0
257.04407	14.8
260.03116	0.6
261.04068	1.6
271.05847	0.9
273.03888	25.0
276.02606	1.6
277.03378	2.7
283.02356	4.3
283.08002	3.7
285.03900	24.9
287.01910	1.0
287.05341	1.5
289.03400	8.9
297.03964	1.3
299.05441	2.0
301.03387	43.0
302.03738	0.8
303.01443	1.0
303.04941	16.7
313.03366	1.2
313.06824	0.7
315.05038	2.3
319.00699	0.8
319.04413	15.6
319.07922	1.0
327.04910	2.7
339.05154	0.7
343.04480	5.2
355.04504	1.8
357.05914	1.9
367.04529	1.3
369.06082	1.0
385.05499	3.9
387.06882	1.2
395.07532	0.7
403.06567	2.4
405.08148	2.0
421.07477	1.9
439.06482	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	559.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18665	0.3
53.03950	0.7
55.01865	1.1
59.00345	0.4
61.02919	0.3
68.99805	0.4
69.03426	1.0
69.99974	0.4
70.06590	1.5
71.01335	0.9
71.70103	0.7
81.03398	4.0
84.08134	0.5
85.02898	0.5
86.09700	1.1
91.05477	0.4
107.01305	1.3
109.02853	2.1
121.02837	1.2
127.03882	3.3
129.10236	0.4
137.02322	100.0
137.03404	6.2
138.02625	0.4
139.03940	0.6
153.01849	0.4
155.04880	1.1
157.22974	0.4
183.04448	0.9
201.05510	1.2
211.03865	4.5
225.05412	0.8
229.04915	3.5
239.03435	0.7
253.04877	0.4
256.03619	1.0
257.04413	35.2
260.03241	0.8
261.03906	3.4
263.01801	0.8
267.02921	1.6
271.05908	2.1
273.03894	17.7
274.04578	1.3
281.04190	0.6
285.03894	72.3
286.04269	1.0
287.05396	0.7
287.09796	0.4
295.06110	0.7
297.03885	1.7
298.04300	0.4
299.05325	3.5
299.07736	3.5
301.03485	0.7
303.04947	42.8
313.06937	1.4
315.05325	0.5
323.05502	1.0
327.04929	7.6
333.11771	0.5
339.04962	2.4
340.72610	0.4
351.04968	1.9
357.05923	2.5
369.05963	4.8
387.06946	3.1
405.08026	5.8
423.09250	3.3
439.06595	2.9
559.10736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01852	5.7
55.05505	29.3
57.03435	7.9
57.07060	3.6
65.03905	4.4
67.05138	2.6
67.05495	50.8
69.03420	1.8
69.07061	23.3
69.47616	2.7
69.48023	13.6
71.04976	5.6
71.05338	1.5
79.05483	45.8
81.03386	4.0
81.07042	52.0
83.04950	4.5
83.08604	12.7
85.06532	2.9
91.05470	45.4
92.05758	1.6
93.07030	41.4
95.04946	10.4
95.08592	36.6
97.06508	6.6
97.10150	6.3
103.05434	2.8
105.06332	2.9
105.07019	42.8
107.04920	8.3
107.08582	26.8
109.06487	5.6
109.10146	13.8
111.08101	2.6
115.05431	3.6
117.06980	20.4
119.08572	32.7
121.06474	4.2
121.10123	13.5
123.08032	3.7
123.11693	2.5
125.09612	4.6
128.06203	3.7
129.06088	2.3
129.06990	24.3
130.07758	2.0
131.08542	36.3
133.06503	3.5
133.10114	21.8
135.08041	3.5
135.11696	10.3
141.06969	10.1
142.07753	4.3
143.08533	26.5
145.06479	4.3
145.10107	34.9
147.08052	2.4
147.11664	16.4
149.09589	3.2
149.13239	4.9
151.11191	2.5
153.06975	3.4
154.07796	4.2
155.08540	22.0
156.09320	3.0
157.10103	28.1
159.08058	4.1
159.11690	20.4
161.09584	4.6
161.13248	11.9
162.44569	1.6
163.11093	4.6
165.06976	3.6
167.08539	9.1
168.09360	3.0
169.10103	30.2
171.07957	2.1
171.11671	30.1
173.09579	4.1
173.13245	13.1
175.11160	1.8
175.14815	6.3
177.12683	1.9
179.08563	5.0
181.10088	16.9
182.10841	3.0
183.11639	20.7
185.09628	3.6
185.13219	13.6
187.11180	3.9
187.14787	4.7
189.12688	2.2
193.10117	4.2
195.11656	14.7
197.13219	16.5
199.11356	1.8
199.14839	8.9
201.12817	2.5
201.16348	1.8
205.10149	2.6
207.11650	4.7
207.13585	2.7
209.13281	10.9
211.14752	9.8
213.12857	2.3
213.16383	9.8
217.15909	2.3
219.11684	2.1
219.17482	2.7
221.13150	3.9
223.14680	7.9
225.16393	4.0
233.13193	3.0
235.14836	4.3
237.16374	4.9
239.17912	3.5
241.19481	4.5
243.17630	1.6
249.16348	1.7
251.17944	2.4
257.18927	2.0
259.20648	8.7
271.17010	2.1
275.20242	4.4
279.15936	5.5
281.17358	8.5
287.19965	2.0
297.18640	2.5
297.22040	2.7
299.19891	1.5
307.20276	2.0
309.21707	2.1
311.23499	2.2
313.21802	1.9
323.23724	3.3
333.24203	3.3
335.23730	4.3
337.25262	2.6
339.23035	2.2
363.26865	1.7
367.26123	2.3
377.24448	2.2
384.68283	1.7
419.33185	2.4
429.31335	6.5
437.34207	13.0
447.32593	25.9
451.31833	2.4
465.33676	26.3
483.34802	20.6
493.37225	1.8
501.35513	3.2
511.38196	1.8
521.35992	9.2
527.37512	2.0
529.38818	6.7
539.37292	100.0
540.36877	2.8
557.38507	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01869	3.8
55.05503	23.6
57.03430	6.2
57.07073	3.4
61.44864	1.2
64.36336	1.3
65.03905	1.5
67.05495	44.5
69.07058	14.9
71.04981	3.9
72.53292	1.2
73.78584	1.5
79.05485	36.5
79.05927	2.2
81.03410	3.5
81.07043	45.1
83.04978	4.1
83.08611	7.6
85.06549	3.8
91.05463	39.1
93.07030	34.9
93.07568	2.5
95.04960	8.3
95.08591	27.3
95.09178	1.5
97.06520	7.2
97.10145	6.8
103.05445	2.3
105.07014	36.8
105.07700	1.9
107.04967	6.0
107.08589	19.3
109.06548	4.5
109.10143	11.6
111.08084	2.2
115.05493	2.8
115.67704	1.4
117.07005	17.0
119.08562	28.5
121.06563	4.0
121.10133	11.1
123.08038	3.0
123.11727	3.0
125.09630	3.0
128.06261	6.1
129.06989	20.9
131.08554	27.3
133.06479	1.9
133.10103	17.8
135.08116	1.9
135.11644	10.0
137.09621	1.7
141.06995	7.6
142.07822	3.4
143.08566	24.9
143.09619	1.7
145.06528	3.1
145.10114	29.0
145.61073	1.4
147.08087	4.2
147.11668	15.9
149.09668	2.8
149.13277	2.7
153.07089	1.5
154.07927	1.5
155.08530	23.0
155.09602	1.6
156.09407	1.9
157.10104	21.7
159.08089	2.1
159.11681	18.4
161.09669	3.0
161.13251	11.1
163.11253	3.1
166.07852	1.4
167.08536	8.7
168.09407	3.3
169.10104	24.8
169.11441	2.2
171.11656	21.0
173.09758	2.2
173.13239	12.0
173.39276	1.3
175.11198	1.7
175.14854	3.7
177.12738	2.8
179.08559	1.8
180.09303	1.5
181.10112	14.7
182.10925	1.5
183.11661	18.2
185.09731	2.2
185.13225	15.7
187.11237	2.1
187.14864	5.0
189.12791	2.5
193.10199	3.2
195.11668	12.6
196.12415	1.6
197.13217	14.7
199.14803	8.0
205.12320	1.6
207.11765	4.9
207.13699	3.3
209.13184	10.6
211.11107	1.5
211.14836	7.1
213.16370	8.2
217.15955	1.7
219.11650	2.4
219.17308	1.7
221.13364	3.0
223.14839	7.3
225.16440	4.3
227.12653	1.9
233.13298	1.9
235.14911	3.5
235.17134	1.6
237.16479	4.6
239.18010	2.9
241.19652	6.0
247.14842	2.5
247.17123	3.2
249.16400	2.7
257.19080	3.9
259.20547	9.2
275.20264	6.0
277.21878	2.0
279.15906	2.0
281.17178	6.6
295.20639	2.2
297.18787	2.1
297.22073	2.5
299.23672	1.7
305.22549	1.4
311.23801	1.6
313.21475	2.0
315.23541	1.7
323.23962	4.2
325.21732	1.9
333.24271	3.4
339.23441	2.3
341.24884	1.9
349.25272	3.1
401.32080	1.6
415.28430	1.4
419.33298	5.1
429.31738	5.2
437.34042	14.4
437.38675	1.4
447.32498	25.5
458.18716	1.8
465.33737	27.8
465.39758	2.1
483.34900	22.0
485.34705	1.9
501.35950	2.9
521.36279	8.2
527.37469	3.4
529.39233	6.4
539.37311	100.0
540.37762	3.4
557.38464	61.1
558.39923	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	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80552	1.2
51.02365	1.4
52.93032	1.2
53.03931	4.4
55.01855	5.6
55.05502	24.8
56.69802	1.1
57.03428	7.8
57.07061	4.0
59.05005	1.4
63.02356	1.2
63.83109	1.1
65.03943	2.3
67.05495	46.4
69.03422	1.2
69.07059	23.4
69.47617	10.2
69.48039	3.9
71.04981	3.2
75.04454	1.3
79.05484	39.7
81.03414	3.1
81.07041	44.0
83.04970	5.1
83.08607	12.6
85.06528	2.9
88.85849	1.1
91.05467	41.4
93.07030	40.0
95.04949	9.4
95.08594	30.7
96.09629	1.1
97.06521	4.7
97.10163	5.1
99.08098	2.2
101.06004	1.5
103.05406	1.8
105.07016	38.6
107.04961	3.5
107.08572	22.5
109.06528	3.4
109.10136	12.1
111.08083	2.5
115.05437	3.0
117.06998	20.9
119.08560	33.7
119.09417	2.2
121.06480	2.7
121.10125	13.9
123.08010	3.1
123.11797	2.1
125.09641	1.9
127.40412	1.1
127.48318	1.2
128.06206	6.6
129.06993	23.9
130.07837	2.4
131.08551	33.4
133.06393	1.4
133.10112	17.3
135.08069	2.9
135.11679	7.6
137.09593	2.7
141.06949	9.7
142.07794	4.3
143.08543	31.8
144.09370	1.2
145.06496	2.4
145.10110	31.8
145.11240	2.3
147.08063	2.4
147.11664	20.4
149.09586	2.6
149.13280	3.1
153.07008	2.7
154.07758	4.3
155.08530	26.0
156.09343	4.2
157.10114	27.6
159.08046	1.7
159.11667	20.1
161.09589	2.4
161.13217	9.1
163.11136	1.9
165.07060	2.6
166.07674	2.2
167.08574	13.5
168.09346	3.5
169.10107	30.0
170.10875	1.8
171.08078	1.9
171.11649	27.9
171.13043	1.7
173.09741	1.7
173.13248	12.9
175.14827	4.6
177.12700	1.9
179.08617	3.8
180.09328	2.1
181.10092	18.3
182.10895	3.0
183.11668	20.0
185.09651	1.5
185.13217	17.8
185.14760	1.5
187.11180	2.4
187.14825	5.8
189.12798	2.9
193.10167	5.2
194.10909	2.0
195.11679	16.2
197.13232	17.1
199.11259	1.8
199.14809	9.0
201.12723	2.4
201.16344	1.9
205.10263	1.8
207.11679	4.7
207.13655	3.0
209.13251	11.6
211.14760	11.4
213.12814	2.6
213.16418	9.5
215.14377	2.0
215.17953	1.7
219.11751	2.7
219.17513	1.6
221.13263	5.0
223.14827	7.6
225.16417	3.7
233.13266	2.3
235.14868	3.0
235.16919	1.3
237.16464	4.2
239.17949	3.5
241.19507	6.8
247.16977	2.2
249.16270	2.5
251.17989	3.1
257.19119	1.5
259.20639	9.7
265.17999	1.4
269.19235	2.1
279.15851	3.0
279.20898	1.4
281.17358	8.1
293.19217	2.3
297.22244	2.8
299.19836	2.0
307.20630	1.5
311.19894	2.4
311.23340	1.5
313.21793	1.7
315.23312	1.5
315.83600	1.5
321.22113	3.2
323.23627	3.5
325.25003	1.6
327.23172	1.6
333.24243	4.5
335.23679	4.4
337.25452	2.1
339.23175	3.4
341.24792	2.8
349.25186	1.5
353.24606	2.9
363.26926	2.0
365.24673	1.4
367.26337	2.2
373.24432	1.5
381.27899	1.6
419.32947	4.3
429.31628	5.4
437.34137	14.1
447.32614	26.8
465.33554	31.6
483.34671	19.4
493.36771	1.8
501.35712	3.1
511.37744	2.5
521.36230	8.8
527.37335	3.7
529.38843	8.5
539.37280	100.0
557.38330	53.3
558.38586	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	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.2
53.03942	4.2
55.01861	2.4
55.05505	22.0
57.03430	6.6
57.07061	2.8
58.86376	0.8
64.97604	1.0
65.03926	2.8
67.05135	1.9
67.05495	38.6
67.83113	0.8
69.07060	15.5
69.47747	10.5
71.04987	2.9
71.08638	1.0
79.05481	36.0
81.03405	3.3
81.07047	38.1
83.04972	4.7
83.08608	10.0
85.06551	1.6
91.05465	37.2
93.07031	34.2
93.07644	1.1
95.04942	8.0
95.08595	28.3
97.06508	4.6
97.10174	5.0
98.21487	1.9
99.08087	1.3
105.04539	1.2
105.07013	34.8
107.04925	5.7
107.08582	18.7
109.06545	3.5
109.10152	11.3
111.08099	1.9
115.05463	2.9
117.07001	16.7
117.07786	1.1
119.08560	29.8
121.06480	2.8
121.10130	11.1
123.08081	2.7
123.11681	1.8
126.83578	1.0
128.06166	5.9
129.06995	18.8
129.73663	1.0
130.07799	2.1
131.08549	31.3
133.06465	2.3
133.10107	17.5
133.11029	1.5
135.08032	2.2
135.11710	7.6
137.09644	1.9
141.06940	7.3
142.07797	3.5
143.08545	27.6
143.09615	1.7
144.95908	1.1
145.06535	1.9
145.10100	23.5
145.11206	1.3
147.08060	2.7
147.11679	16.7
147.12726	1.5
149.09615	2.6
149.13289	4.7
153.07004	2.1
154.07751	2.9
155.08534	20.4
156.09348	1.4
157.06508	1.2
157.10100	21.9
159.08031	2.0
159.11679	16.9
161.09650	3.0
161.13245	9.1
163.11238	2.1
165.07080	1.7
166.07773	1.8
167.08553	10.0
168.09390	2.6
169.10109	21.8
171.08075	1.1
171.11665	19.8
171.13033	1.2
173.09570	1.7
173.13242	12.4
175.11137	2.6
175.14862	2.8
177.12766	1.8
179.08643	3.5
180.09415	1.6
181.10101	13.2
182.10913	3.4
183.11687	20.3
185.09654	2.3
185.13242	14.0
187.11215	3.4
187.14734	4.7
189.11099	1.3
189.12761	3.1
189.16483	1.2
191.14157	1.3
193.10100	2.6
194.10977	1.3
195.11670	12.5
197.13225	12.7
199.11163	2.3
199.14778	8.4
201.16440	2.7
205.10228	1.4
207.11761	4.8
207.13878	3.3
209.13239	9.3
211.14822	8.4
213.12794	1.4
213.16380	9.0
215.14319	1.6
219.11676	1.9
221.13255	4.2
223.14825	7.3
225.16502	4.3
227.18040	1.6
231.17448	1.1
231.21030	1.4
235.14833	2.7
237.16434	3.9
239.17952	1.9
241.19479	5.8
247.17017	2.9
249.16411	2.3
249.18648	1.4
251.18021	2.9
253.19508	1.5
255.17474	1.3
257.19113	2.4
259.20581	8.9
261.16125	1.2
265.19763	1.4
271.16971	1.2
275.20129	2.4
277.21814	1.4
279.16000	3.7
281.17249	8.3
287.20120	1.4
293.19098	1.3
295.20731	1.9
297.18878	1.1
297.22183	2.2
299.20346	1.1
299.23553	1.5
307.20673	1.9
309.22083	1.1
311.23703	2.3
313.21609	1.9
315.23044	1.5
321.22195	1.8
323.23816	3.3
325.21686	1.9
325.25467	1.2
327.22913	1.9
333.24365	4.1
335.23798	2.7
337.25226	1.2
339.23090	2.7
341.24890	1.8
349.25293	1.5
353.24615	2.3
357.24316	1.4
361.25348	1.1
365.24756	1.1
367.26337	1.6
419.33328	3.9
429.31454	6.4
437.34183	11.4
447.32465	25.3
455.35318	1.9
465.33646	26.3
465.39764	1.8
483.34735	18.1
485.34195	1.4
501.35745	3.7
503.35510	2.2
511.37778	2.5
521.36224	9.2
522.72845	1.2
527.37671	3.6
529.38916	9.4
539.37268	100.0
540.37732	2.0
557.38434	55.6
558.38867	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3466
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03929	6.1
55.01864	10.0
55.05502	47.5
57.03410	6.8
57.07081	2.2
65.03900	2.2
66.21632	1.9
67.05493	58.6
67.86720	1.7
69.03410	5.4
69.07065	21.7
70.00235	13.4
71.04962	2.8
72.92992	1.7
73.34406	1.9
73.71123	1.8
76.10833	2.0
79.05479	49.1
81.03395	7.1
81.07043	58.3
83.04951	6.0
83.08605	23.6
83.15623	1.7
85.06523	4.0
88.81460	1.9
91.05465	44.9
93.07025	42.7
95.04956	11.0
95.08587	28.9
96.46903	1.8
97.02853	3.3
97.06522	6.2
97.10158	30.6
105.07018	41.8
107.04942	12.6
107.08575	26.4
109.02837	8.3
109.06488	7.9
109.10130	15.9
111.04388	4.2
111.08047	3.1
115.05438	2.8
117.07004	28.1
119.04924	2.7
119.08571	35.2
121.06470	5.5
121.10114	10.9
123.08025	3.5
125.09617	23.0
128.06221	5.7
129.06970	20.9
130.07675	2.3
131.04883	1.9
131.07634	3.3
131.08549	34.6
133.06493	6.2
133.10109	29.0
135.08006	6.3
135.11665	7.2
137.09610	2.0
141.06952	8.0
142.07727	5.8
143.08534	21.9
145.06479	5.5
145.10094	31.9
147.07968	4.5
147.11649	13.7
149.09550	3.1
149.13220	2.7
151.11162	4.9
153.09099	2.5
153.12840	2.1
154.07790	2.0
155.08519	14.1
157.06523	5.0
157.10110	17.8
159.08061	6.6
159.11673	19.3
161.09599	6.7
161.13249	5.2
163.11163	8.8
165.06909	2.4
167.08524	5.6
168.09293	3.9
169.10112	16.4
171.08038	3.7
171.11684	15.6
173.09578	5.2
173.13229	9.7
175.11160	2.7
179.08508	2.5
181.10149	9.6
183.08130	2.6
183.11656	16.3
185.09599	5.7
185.13225	10.4
187.11194	6.5
187.14857	4.4
189.09286	4.7
189.11189	8.1
191.10745	2.7
192.09381	2.1
193.10197	4.1
193.12297	3.2
195.07944	2.1
195.11639	9.4
197.09627	4.9
197.13242	8.5
199.11118	5.6
199.14864	5.0
201.12733	2.9
207.11708	5.1
209.13203	6.1
211.11107	5.5
211.14841	5.4
221.13225	3.1
223.11082	2.7
225.16316	2.8
227.10785	2.5
227.12640	12.5
235.14787	3.3
237.12804	3.1
239.17857	2.4
251.17851	2.7
255.17393	2.2
257.18991	4.9
259.20538	7.2
269.18890	2.9
273.18256	2.7
275.20062	18.2
277.19394	2.7
281.13770	7.0
285.22052	10.4
287.20084	3.5
291.19632	4.5
295.20355	2.8
297.18414	3.8
311.20032	4.9
313.21506	20.8
323.20148	2.8
327.19437	2.4
331.22580	3.2
339.23080	2.7
343.22491	2.6
353.20959	3.3
401.28372	4.3
419.29361	12.1
421.30951	3.7
429.27921	4.0
437.30573	13.0
447.28860	24.5
455.31534	7.8
465.30020	58.6
466.30246	2.5
473.32114	2.8
483.30872	32.9
511.34195	21.6
513.35571	6.8
521.32721	9.9
529.35205	52.5
530.35345	2.5
539.33624	84.5
540.33667	3.6
557.34631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01866	0.2
55.05502	0.2
57.03430	0.2
61.02890	0.2
65.03927	4.2
67.05486	0.2
68.99774	0.3
69.03418	1.1
69.62391	0.7
69.62815	0.7
70.06571	0.5
70.14014	0.2
74.41016	0.2
76.29311	0.2
76.89447	0.2
79.01857	0.2
80.45687	0.2
84.08126	0.3
85.02898	0.5
86.09690	0.4
91.05468	0.2
95.04919	0.2
97.02881	0.3
105.03359	1.0
107.05048	0.2
109.02872	0.5
111.04427	3.4
112.61050	0.2
121.02845	100.0
122.03165	0.6
127.03876	0.8
135.04376	0.2
139.03903	0.5
167.03445	0.4
172.05150	0.3
183.04285	0.2
200.04648	0.5
209.13632	0.1
211.03856	0.3
215.07095	0.3
224.07938	0.2
225.05568	0.2
227.03491	0.2
228.04149	2.5
239.03394	0.2
240.04088	0.2
242.05602	0.3
243.06483	1.8
244.03609	0.3
245.04474	0.3
256.03635	6.9
257.04410	0.2
259.02521	0.3
260.03064	0.5
265.06946	0.4
268.03659	0.5
270.05151	1.4
271.05966	24.3
272.03204	2.6
272.06219	0.4
273.03870	0.4
274.04706	0.8
275.05420	2.0
283.08093	4.2
284.00034	0.4
284.03107	5.5
285.04446	0.3
285.07339	1.0
286.04333	0.2
287.05444	10.9
288.06287	1.0
294.05179	0.2
295.06000	0.2
296.03119	0.5
298.04645	1.4
299.05444	53.8
300.02634	0.2
300.05792	0.5
301.03305	0.2
301.06924	0.3
302.04074	1.0
309.07297	0.2
311.05450	0.7
312.06253	0.2
313.03290	0.5
313.06927	3.4
315.04938	0.6
317.06509	22.4
318.06760	0.2
322.04663	0.3
325.06699	0.2
327.08511	0.7
329.06537	0.2
337.06924	0.6
339.04874	0.3
341.06500	5.7
341.10638	0.3
353.06601	1.9
355.07965	0.4
365.06317	0.9
371.07526	1.7
383.07605	3.5
393.09439	0.3
401.08688	2.6
419.09653	3.7
437.08719	2.2
539.12091	0.2
557.12823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99849	3.3
68.74451	1.9
68.87878	2.0
70.92107	4.7
70.92486	3.9
72.01849	2.0
82.99844	2.6
89.00927	2.2
97.02880	2.2
101.00864	25.1
109.01363	2.1
109.02851	2.9
113.00819	6.1
117.03997	2.5
119.01894	72.5
127.02376	9.5
127.57095	2.0
129.03943	2.1
131.01875	35.6
135.05035	3.2
137.02968	13.4
139.02338	2.2
141.03967	4.1
143.01878	31.0
145.02338	4.1
145.03441	74.6
147.05011	3.7
149.02919	7.4
155.01888	18.7
157.03462	14.0
159.05003	26.0
161.02946	52.5
163.04507	19.3
167.01852	11.5
168.05107	2.4
169.03458	46.4
171.01363	5.6
171.05020	14.0
173.02937	38.3
175.04593	2.7
177.06007	3.7
179.01875	4.5
181.03445	6.6
183.05034	2.9
185.02934	57.5
187.04500	100.0
188.04590	2.7
189.02396	18.7
189.06050	5.5
191.03986	3.9
197.02922	24.6
199.04506	16.9
201.02451	2.6
201.06050	3.9
203.03966	19.9
207.03381	4.0
209.02939	2.5
210.06204	2.1
210.58366	2.0
211.04453	14.5
213.02431	19.2
213.05995	4.4
215.00403	3.1
215.03973	13.9
217.05531	3.5
221.04999	3.9
223.04494	5.5
225.02440	5.7
227.03917	10.5
229.05554	7.4
231.03442	34.3
232.03621	2.8
233.01372	3.7
239.03972	3.0
241.05547	2.4
243.03523	5.5
245.05042	82.4
246.05220	3.1
253.05374	2.9
257.01239	6.0
257.05051	4.5
263.06128	11.1
271.06567	19.6
274.99417	3.5
275.02441	71.8
275.06033	12.5
287.02435	24.9
289.07452	3.4
293.03494	19.9
293.07111	5.5
297.04712	2.4
305.03476	29.6
305.07089	10.1
313.45203	2.2
315.05566	7.0
316.05066	3.1
317.03381	2.9
317.13504	2.3
333.06549	4.1
335.04626	30.5
335.08200	4.8
341.03763	4.8
359.04431	22.7
365.09216	6.1
377.05591	62.5
378.05423	3.4
395.06635	81.7
396.06668	2.4
403.12766	2.4
444.11661	2.2
539.10754	7.7
557.11987	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	557.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27028	1.7
69.03413	2.0
69.96372	11.3
87.49860	1.9
97.02877	2.6
98.97564	3.1
101.00861	19.9
109.01398	3.0
109.02864	2.0
113.00829	4.0
117.04012	3.7
119.01898	68.4
121.03384	2.0
127.02418	4.4
129.03937	2.2
131.01877	27.6
133.03450	3.0
135.05022	3.2
137.02994	9.7
141.03915	3.9
143.01889	27.7
145.03439	63.8
147.01410	1.9
147.04994	5.2
148.43416	1.7
149.02896	5.2
155.01848	21.8
157.03458	9.0
159.05028	23.5
161.02942	51.3
162.02986	2.4
163.04510	16.8
167.01904	10.4
169.03445	43.3
171.01410	4.2
171.04990	17.4
173.02931	40.2
175.04472	4.3
177.06021	3.7
179.01947	3.6
181.03445	7.7
183.05000	2.1
184.04488	2.1
185.02933	59.3
187.04486	100.0
188.04666	2.7
189.02408	18.1
189.06073	4.5
191.03961	3.1
197.02907	19.4
199.04478	24.0
201.02454	2.5
201.06194	2.2
203.03966	26.8
207.03433	3.6
208.04483	2.3
209.03091	2.1
210.06099	3.2
211.04463	14.3
213.02486	16.7
213.05977	2.8
215.00401	2.9
215.04004	13.1
217.05612	2.6
221.05006	4.8
223.04405	3.5
225.02388	5.9
227.03999	12.8
229.05539	6.2
231.03456	36.7
237.02731	2.1
239.03909	2.5
242.18590	1.9
243.03476	6.0
245.05049	90.2
246.05215	4.0
257.01318	6.9
257.04996	3.8
261.04544	3.1
263.06104	14.3
271.06537	22.4
273.04300	2.3
275.02472	80.0
275.05963	13.8
287.02448	31.4
289.07428	2.4
293.03448	24.5
293.07034	8.3
297.04483	2.7
305.03488	28.3
305.07141	6.9
315.05527	6.7
316.05087	3.1
317.03418	4.5
333.06488	3.5
335.04575	32.2
335.08255	5.2
341.03479	6.8
359.04526	28.8
365.09293	12.8
377.05591	62.3
395.06635	88.8
396.06699	2.3
398.25354	1.8
400.07401	2.0
539.10883	4.9
557.11859	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25646	1.3
57.03423	2.9
57.45241	1.0
59.09298	1.2
61.02910	2.7
63.73122	1.1
65.03916	2.5
69.03428	2.2
69.69270	7.4
70.06561	5.6
72.08148	1.3
73.02905	7.2
79.05500	1.9
81.03391	1.6
81.07043	1.9
83.04944	1.2
84.08114	1.5
85.02904	5.4
86.09672	1.3
91.05454	7.5
93.03406	1.7
94.04182	2.1
95.04942	1.7
97.02897	2.5
98.21432	1.9
100.86526	1.1
103.05438	14.6
105.07021	3.4
107.04945	2.2
109.06484	3.9
111.04408	2.8
115.03925	1.1
115.05419	3.9
117.06955	1.5
118.97989	1.1
119.04933	5.7
121.06464	2.7
122.03651	6.9
123.04392	1.1
125.05988	2.5
125.28219	0.9
128.06175	4.5
129.06979	19.6
131.04901	29.2
133.06487	3.1
135.04382	1.6
135.05515	1.5
137.05949	100.0
138.06248	1.5
143.04915	2.9
144.05664	2.1
145.06474	2.5
147.04350	1.9
149.05956	4.1
151.03961	1.7
151.07539	4.0
153.05443	4.8
157.06467	20.6
160.05173	6.4
161.05978	9.2
163.07516	12.1
165.05463	2.4
166.05222	1.1
167.07008	10.4
172.05185	3.4
174.06744	9.4
175.07521	32.5
177.05469	3.3
177.09126	2.0
179.06999	1.8
187.07520	37.1
188.08073	1.4
189.09070	29.0
203.08531	2.4
205.08582	4.6
207.10049	2.3
208.08859	1.3
209.08078	6.8
211.07544	2.4
217.08537	7.3
219.08083	5.4
219.09981	1.4
225.07567	3.7
231.08051	3.5
246.04842	1.3
247.07582	4.4
248.08246	3.0
251.10687	3.1
257.04456	2.9
258.04755	3.6
259.07568	1.9
260.03018	1.5
261.03833	1.7
261.09158	2.0
263.10654	6.0
270.08847	3.9
271.09641	2.5
272.06580	1.5
273.03922	14.3
274.04233	17.5
275.04959	1.2
276.07693	2.7
277.08414	1.3
279.10150	6.3
285.03741	2.7
286.04172	3.6
291.10107	10.3
297.03787	1.7
299.05392	3.9
300.05841	4.6
303.04898	9.7
304.05255	16.4
308.10403	1.5
311.12692	19.0
312.13031	1.4
314.07449	1.6
315.05014	1.4
323.12714	13.7
327.04880	4.5
328.05399	7.7
329.13785	2.7
339.04758	1.8
340.05347	4.4
341.13791	17.5
352.05295	3.3
357.06058	1.8
358.06351	5.0
370.06241	3.5
387.07056	2.8
388.07309	6.3
405.08374	2.6
406.04001	1.4
406.08588	8.1
424.09491	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	555.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
53.03939	8.4
55.01862	14.9
55.05238	1.4
55.05503	27.2
57.03440	4.9
57.07057	2.3
64.02213	0.9
65.03925	5.1
67.05493	60.2
69.03429	1.9
69.07058	25.2
71.04974	3.4
73.06528	0.9
77.03913	1.5
79.05480	72.0
81.03417	9.4
81.07043	100.0
83.04970	11.5
83.08610	12.7
85.06517	2.8
91.05463	64.4
92.24863	0.9
93.07030	53.0
95.01311	4.7
95.04954	20.8
95.08588	38.8
97.06511	27.2
97.07104	2.1
97.10161	5.4
99.08041	2.4
101.88313	1.1
103.05452	2.6
105.07014	63.8
107.04939	17.7
107.08582	22.8
109.05753	1.4
109.06502	33.2
109.10132	11.2
111.08079	3.1
115.05431	2.6
117.06997	18.1
119.08556	41.1
121.06477	5.1
121.10130	13.7
123.04427	2.5
123.08027	7.2
123.11691	3.3
125.09592	3.7
128.06216	4.5
129.06979	14.4
129.07852	1.7
130.07750	1.5
131.04964	1.2
131.08553	21.3
133.06459	2.1
133.10106	28.7
135.08054	5.5
135.11674	8.1
137.09610	3.2
141.06989	4.5
142.07753	2.0
143.08531	11.7
145.06477	3.9
145.10097	20.6
147.07988	2.7
147.11664	25.6
149.09593	8.1
149.13232	5.4
151.07510	1.1
151.11183	2.0
155.08559	5.2
156.09328	1.7
157.10110	7.5
159.11658	12.1
161.09589	2.4
161.13193	10.2
163.11154	7.0
163.14809	1.6
165.06892	1.2
165.09230	1.2
165.12743	1.6
167.08490	2.1
169.10103	5.0
171.11656	14.6
173.13274	4.3
175.11215	2.3
175.14789	1.7
177.12729	2.5
179.14275	9.2
181.10089	2.4
183.11668	3.7
185.13321	3.4
187.11168	3.0
187.14877	1.9
189.12726	5.6
193.12250	1.5
197.09425	1.0
197.13284	4.7
199.14854	1.4
205.12102	1.5
207.13759	7.1
209.13220	2.4
211.14873	1.7
219.17503	1.4
219.34006	1.0
221.13272	1.8
225.14825	1.8
229.19531	3.1
229.84074	1.1
239.17949	2.3
241.19449	1.1
247.20520	4.4
257.18866	5.5
259.20547	2.5
275.20020	70.0
279.15924	4.6
281.17429	1.6
293.21106	8.7
309.22046	1.6
327.23123	1.1
349.23825	2.6
429.30191	2.1
445.30997	2.7
463.32040	2.8
481.32953	3.5
537.35541	8.4
555.36725	60.5
556.37390	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	555.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.0
53.03939	8.0
55.01866	27.7
55.05503	27.8
57.03415	4.0
57.07058	3.7
57.99766	0.8
59.04981	1.0
65.03931	6.0
67.05496	69.4
69.03417	3.3
69.06688	2.1
69.07061	40.3
69.50411	1.7
69.50818	7.2
71.04981	3.2
71.08608	1.7
73.06541	1.5
77.03908	2.3
79.05485	77.3
80.25893	0.8
81.03411	12.7
81.07049	80.4
83.04974	15.2
83.08165	1.2
83.08614	12.4
85.02921	1.1
85.06508	2.0
88.04119	0.8
91.05468	82.7
93.07035	59.9
95.01325	10.6
95.04958	27.9
95.08594	47.4
97.06521	49.9
97.10117	4.6
98.20728	1.8
98.98460	6.1
99.04424	1.0
99.08075	2.0
99.41073	0.9
103.05476	2.1
105.04546	2.0
105.07020	82.1
107.04225	1.9
107.04942	26.1
107.05665	1.7
107.08580	26.5
109.06504	12.1
109.10141	10.1
111.08068	3.3
115.05446	2.4
116.06207	1.3
117.07011	19.6
119.04926	1.2
119.08568	50.9
119.99673	1.0
121.06495	4.1
121.10133	11.7
123.04428	3.0
123.08058	8.2
123.11691	2.9
125.09615	3.1
127.07566	1.3
128.06248	4.3
129.06985	14.4
131.07646	1.8
131.08557	21.9
133.06454	1.4
133.10117	42.6
133.11147	2.0
135.08044	5.4
135.11691	8.8
137.09608	3.9
139.07526	2.7
141.07005	3.0
142.07622	1.3
143.08548	9.7
145.06474	3.6
145.10104	21.1
147.08061	3.1
147.11673	30.6
149.09592	9.2
149.13219	5.6
151.11166	2.3
155.01038	7.0
155.08580	1.7
157.10094	4.6
159.08049	1.2
159.11688	13.7
161.09578	1.8
161.13234	16.7
163.11156	7.0
163.14822	1.2
165.09143	3.3
169.10109	4.1
171.11671	17.9
173.13264	4.0
175.11205	1.2
175.14845	1.5
177.12709	4.6
179.14294	18.6
181.10040	1.1
183.11694	3.2
185.13220	1.8
187.11127	4.3
187.14732	2.0
189.12738	5.8
197.13249	3.2
201.12766	1.2
205.12146	1.2
207.13780	9.5
215.18118	1.1
225.14893	2.2
229.19519	3.5
233.15450	1.0
233.18944	1.3
239.17902	2.9
241.14397	1.3
241.19456	1.7
247.20638	4.4
257.18985	8.0
259.20596	2.6
266.71255	1.0
275.20032	100.0
276.20471	1.7
279.15909	8.3
281.17560	1.4
293.21091	9.0
313.27432	7.0
349.23831	2.6
377.22766	1.1
453.15622	1.4
463.32095	1.0
537.35449	2.9
539.98456	1.0
555.22339	1.8
555.29974	2.8
555.36786	51.1
556.36884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28156	0.4
53.03911	1.2
53.61988	0.4
55.01852	1.2
55.05505	3.3
57.03403	0.7
57.07039	0.4
59.70680	0.5
61.46691	0.3
62.23946	0.5
65.03919	0.6
65.15497	0.4
67.05496	9.1
68.87619	0.4
69.07057	4.0
70.05204	2.4
71.54618	0.4
79.05482	10.3
81.03368	1.2
81.07043	8.7
83.04953	1.7
83.08603	2.0
91.05467	9.2
93.07030	7.7
95.04949	3.4
95.08589	4.6
97.06500	1.9
97.10114	1.2
103.05446	0.5
105.07014	7.5
105.38359	0.4
107.04936	2.5
107.08575	3.9
109.06530	2.4
109.10120	1.8
117.06997	2.5
119.08557	5.8
121.06489	0.8
121.10147	2.3
123.07990	1.1
123.11657	0.4
125.09586	0.6
128.06143	0.6
129.06967	1.8
131.08548	3.3
133.06482	0.5
133.10080	2.8
135.07997	1.2
135.11642	0.7
143.08562	1.9
145.06496	0.5
145.10088	3.4
147.11656	2.9
149.09586	1.4
149.13271	0.9
151.11256	0.4
155.08485	1.1
157.10049	1.0
159.11644	1.5
161.09679	0.5
161.13226	1.1
163.11134	1.3
167.08565	0.4
169.10069	1.0
171.11649	2.8
173.09581	0.5
173.13200	1.3
179.14253	0.8
181.10158	0.4
183.11626	1.2
189.12688	0.7
193.12244	0.4
197.13138	1.0
203.05209	1.1
207.13741	1.1
229.19467	0.5
239.17822	0.8
242.99457	0.5
257.18948	2.6
259.07681	0.7
275.17194	0.5
275.20041	7.5
281.17465	0.7
293.21063	0.9
319.21008	1.1
337.22009	1.1
393.25879	1.2
527.05396	0.4
537.36005	0.8
555.31140	100.0
556.31482	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98906	0.6
54.89585	0.7
57.03426	10.8
61.02930	3.5
69.03402	2.9
69.76910	5.2
70.06580	0.8
73.02904	24.0
78.90931	0.7
85.02891	3.6
97.02869	3.5
109.02834	0.8
115.03929	1.9
133.04997	0.8
137.05974	0.8
153.01813	1.2
157.77719	0.7
159.50377	0.7
165.70973	0.6
199.03929	1.0
211.03816	1.5
215.03331	0.7
219.02779	0.9
221.05948	0.9
225.05367	2.0
227.03360	2.8
229.04918	2.7
241.04901	0.9
245.04356	5.6
253.04854	0.8
257.04395	16.5
260.03125	1.7
261.03888	6.8
263.01782	2.3
267.02786	1.1
271.02567	0.8
271.05972	4.5
273.03876	100.0
274.04575	4.7
275.05423	1.1
277.04849	1.4
281.04407	2.1
285.03906	10.8
285.07169	0.8
287.01868	1.6
287.05365	1.6
295.06039	2.8
297.03799	3.9
299.01801	3.4
299.05359	16.4
303.04932	66.4
311.05423	2.7
313.07010	6.6
315.04813	0.8
323.05344	2.9
325.03442	1.0
327.04904	26.7
339.04895	15.6
341.06445	2.2
351.04861	8.6
353.06384	1.0
357.01630	1.1
357.06021	20.3
369.05997	16.7
387.07022	19.5
405.08066	28.5
407.09341	1.1
423.09167	11.2
555.13141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03426	10.4
61.02914	3.1
69.03418	5.9
69.78683	2.5
69.79121	1.9
70.06566	1.3
71.01328	1.0
73.02905	19.1
79.58344	0.6
79.90680	0.6
81.03413	0.9
83.59010	0.5
85.02898	7.5
86.09695	0.6
88.70950	0.6
97.02882	5.8
98.21375	0.7
103.03912	1.7
109.02827	0.7
109.77473	0.6
115.03895	5.0
121.02850	0.7
136.41328	0.6
141.14748	0.6
153.01819	1.5
157.04919	1.2
188.25125	0.7
201.05363	1.0
211.03854	2.1
215.03365	0.6
219.02858	2.1
221.05980	1.1
225.05519	1.6
229.04927	3.2
231.02803	1.0
237.03946	0.7
239.03317	0.7
245.04504	1.6
246.12465	0.6
248.10175	0.7
249.05080	0.6
253.05022	1.3
257.01636	1.2
257.04410	23.5
260.03085	3.8
261.03885	3.8
263.01849	1.7
267.02795	1.0
271.06012	5.2
273.03885	76.2
274.04630	4.5
281.04376	1.7
285.03909	14.6
285.07214	1.0
287.01947	0.9
287.05389	1.3
295.05930	2.2
297.03906	3.4
298.04721	0.8
299.01849	1.5
299.05405	17.0
301.03488	1.0
303.04947	100.0
304.05273	1.4
311.05469	2.4
313.07028	5.8
323.05356	2.3
327.00964	1.0
327.04935	28.6
339.04916	13.1
341.06464	1.7
351.04965	8.5
357.06033	16.3
369.06046	15.1
387.07034	13.6
405.08121	31.1
406.08337	0.6
423.09161	5.2
537.12506	0.9
555.14063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01849	6.5
55.05501	32.5
57.03423	8.3
57.07061	11.0
61.02909	8.2
67.05486	30.3
69.03427	25.6
69.07063	47.2
70.06577	7.8
70.13541	8.4
70.13960	19.0
71.04968	9.6
71.08635	6.1
79.05482	18.8
81.03395	18.4
81.07045	43.9
83.08608	30.5
85.02899	62.8
85.06526	5.1
87.00812	20.1
91.05457	13.7
93.07032	20.5
95.08595	41.3
97.02868	18.5
97.06503	6.1
97.10164	40.4
99.04421	11.4
99.08121	6.6
105.01841	18.8
105.07013	13.2
107.08592	13.8
109.02851	23.4
109.10141	28.6
111.08050	6.0
111.11694	18.5
119.08553	17.3
121.10147	22.4
123.11710	6.7
126.09280	4.7
127.03888	39.0
133.06487	10.2
133.10127	22.2
135.11649	19.2
137.13229	8.6
139.11134	7.9
145.04866	8.0
147.11639	15.5
149.01184	5.5
149.13197	6.4
150.73935	4.9
151.03859	5.9
151.11185	6.1
153.12700	6.5
161.05934	6.0
161.13286	6.3
167.07031	6.9
172.05357	4.9
175.14740	6.5
179.14305	6.0
217.19528	32.7
231.04996	5.7
235.20523	48.1
253.21588	100.0
265.80710	5.5
271.22668	68.5
285.04047	8.9
289.23822	6.4
548.75977	5.8
555.27649	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	555.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26739	1.0
55.01870	1.5
57.03418	4.3
61.02906	4.2
64.83212	1.0
69.03411	3.5
70.06575	3.5
71.00175	1.8
71.00532	2.0
72.08135	1.2
72.41758	0.9
73.01846	0.9
73.02901	24.9
76.58791	1.1
84.08109	1.6
85.02876	6.4
86.09670	1.1
87.04446	1.3
91.11005	1.1
97.02895	6.8
103.03928	1.7
110.07182	1.2
115.03902	3.1
121.02838	3.2
123.04500	1.2
133.04956	1.7
157.05038	1.5
157.95633	1.2
171.04449	1.1
181.89688	1.0
195.02928	1.5
211.03909	4.0
219.02876	2.4
221.06180	1.4
225.05411	2.8
229.04930	4.8
231.02815	1.3
245.04471	2.9
253.05054	2.4
257.04410	29.0
260.03168	6.1
261.03928	8.4
267.03030	1.6
271.05948	9.7
273.03885	90.4
274.04617	5.6
281.04361	3.0
285.03940	18.8
285.07193	2.6
287.05374	1.8
295.06134	2.5
297.03787	5.0
299.01843	2.7
299.05408	25.2
303.04950	100.0
304.05420	2.0
311.05328	1.7
313.03635	2.1
313.06931	8.5
323.05383	3.6
327.04926	41.9
339.04852	12.3
341.06439	1.3
351.04956	10.1
357.05984	22.1
369.05978	18.3
383.25558	1.0
387.07083	18.1
405.08078	41.0
423.09161	10.4
448.42941	1.1
519.12976	1.5
555.15564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69981	0.2
67.05497	0.2
70.24229	0.7
79.05469	0.2
83.01080	0.7
84.01841	0.4
88.82359	0.2
91.31583	0.2
95.01060	0.7
96.01855	0.6
97.02640	0.3
98.21423	0.3
121.67832	0.2
124.47446	0.2
139.03564	0.3
156.03906	0.3
157.04712	0.5
183.02551	0.2
184.03401	0.6
185.04163	1.1
201.03687	1.6
203.05203	2.4
241.06662	0.4
259.07861	2.2
317.19608	0.5
331.09912	2.8
335.20795	0.4
345.11484	0.6
359.13141	0.6
373.14774	0.5
387.16562	0.4
391.24625	0.8
400.91321	0.3
401.17975	0.4
415.09375	0.2
415.19345	1.2
441.21033	0.4
455.22366	0.7
483.22037	2.1
535.29089	0.3
553.29736	100.0
554.30157	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
59.41500	0.3
63.38471	0.3
66.62074	0.2
67.05482	0.9
69.07073	0.3
70.04180	0.3
71.70656	0.5
79.05483	0.4
81.07044	0.6
87.93290	0.3
88.21253	0.3
91.05452	0.4
93.07017	0.4
95.04946	0.3
95.98927	0.2
103.86337	0.2
105.07037	0.3
109.10103	0.3
109.81994	0.3
112.91093	0.3
146.19603	0.2
157.04665	0.5
159.05745	0.3
184.03516	0.5
185.04190	3.0
201.03629	1.5
259.07852	0.4
275.07413	0.8
301.09003	0.8
331.09964	2.9
335.21021	0.3
345.11563	0.9
353.18979	0.3
359.13040	0.6
359.70905	0.3
373.14798	0.6
391.24527	0.7
401.17670	0.7
415.19626	0.7
455.22781	0.3
483.21945	2.1
535.28540	0.6
553.29718	100.0
554.29968	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	554.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	29.3
57.03416	15.7
57.07059	14.9
61.02909	8.8
67.05494	30.4
69.03416	32.0
69.07051	57.3
70.06579	27.1
71.70131	11.0
72.08178	11.0
77.00726	8.3
79.05465	20.5
81.03392	16.0
81.07042	54.9
83.08599	33.7
84.08121	17.2
85.02878	68.1
85.06513	9.0
86.09691	12.7
87.00809	23.5
91.05464	21.2
93.07026	24.7
95.08580	53.9
97.02882	33.3
97.06516	13.1
97.10153	36.2
105.01856	19.3
105.07020	14.1
107.08551	21.4
109.02864	17.2
109.10142	22.0
111.11687	24.5
119.08530	18.1
119.91714	8.0
121.06567	8.4
121.10133	29.4
123.11604	8.9
127.03899	54.2
129.10187	9.9
133.06407	17.2
133.10112	18.4
135.11641	26.4
136.07603	9.7
137.06036	15.3
147.11713	15.3
149.13263	9.1
161.13164	17.9
217.19386	42.3
231.04922	16.6
235.20534	55.7
253.21570	100.0
271.22668	81.9
412.05496	8.6
470.24359	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	553.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31270	4.0
55.01851	5.3
55.45831	5.3
57.03415	7.7
60.76581	4.9
61.02911	7.0
65.31959	3.7
70.06577	15.7
71.33053	10.8
78.98466	4.1
81.03409	8.0
84.08131	5.0
85.02890	15.7
86.09655	8.4
94.97803	3.9
95.04943	5.3
97.02871	8.0
103.03894	7.0
107.04952	4.9
109.02854	8.6
119.04884	4.2
121.02856	60.6
123.04409	5.4
135.04405	8.3
136.07619	6.9
137.02359	6.3
139.03877	4.4
142.99944	4.5
145.06529	5.0
151.03896	5.1
161.02402	4.2
163.03851	4.6
165.01790	14.0
173.05907	5.4
175.03873	4.4
177.01849	4.8
177.05319	6.4
183.02798	11.1
189.01782	11.7
195.02898	25.2
199.72961	4.2
201.01775	7.0
201.05478	6.6
203.03346	9.2
205.04982	5.2
207.02849	14.6
213.05626	4.3
219.02881	13.2
225.05489	9.0
227.03416	6.3
229.04845	11.5
231.02812	14.1
233.04515	8.3
241.04843	21.5
243.02797	19.3
243.06566	12.3
244.03601	4.8
245.04518	5.9
249.03903	6.0
253.04880	9.4
253.08514	19.6
255.02788	7.5
255.06439	12.7
256.07266	4.9
257.04401	12.1
257.08099	7.7
259.05908	5.4
261.03979	22.2
266.05630	5.6
267.06305	9.9
269.04581	8.8
269.08047	38.1
270.08789	5.3
271.06015	22.7
273.03897	18.1
279.06534	9.0
281.04636	7.6
281.08041	20.7
283.06027	17.3
283.09653	4.7
285.03879	21.4
285.07391	7.2
287.05472	8.9
293.07996	8.6
295.05951	11.1
295.09656	25.7
297.03812	19.3
297.07526	26.5
297.10571	5.3
299.05457	14.7
299.09070	42.8
301.03088	5.4
301.06854	8.2
303.04688	7.1
307.06302	5.9
307.09613	5.9
309.07581	10.1
309.11087	7.3
311.05493	8.9
311.09113	13.9
311.12646	5.2
313.03433	10.1
313.06995	21.4
313.10568	10.6
315.04852	11.5
315.08548	9.5
323.05649	9.7
323.09103	20.2
325.07071	15.3
325.10739	10.7
327.04987	10.5
327.08521	19.2
329.10126	9.4
335.08966	7.2
337.06918	16.0
337.10660	5.5
339.04996	9.9
339.08566	11.8
341.06506	12.2
341.10104	34.6
343.08032	7.9
345.05609	5.6
351.08533	12.2
353.06409	7.4
353.10153	11.2
355.08005	12.6
355.12360	4.7
357.09860	10.3
359.11200	9.0
365.10092	10.5
367.07935	20.1
369.09555	21.4
371.07434	40.6
371.11224	10.0
379.08167	20.3
381.09543	5.9
383.07361	6.2
385.09268	51.9
387.10953	7.5
391.08176	12.0
395.07422	13.3
395.11652	9.7
397.09155	23.8
403.10291	38.7
411.10669	5.7
415.10214	68.3
421.09198	15.3
433.11304	100.0
439.10336	40.7
451.10172	12.8
453.11383	5.8
457.11551	35.6
463.10217	11.8
469.11484	27.8
473.10696	19.0
481.11557	26.5
487.12305	27.2
491.11752	14.7
499.12332	36.1
517.13458	52.2
535.14502	85.0
553.07507	7.2
553.15454	94.3
564.37366	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30962	1.5
55.01848	5.1
57.03416	4.3
61.82892	1.7
65.03919	5.4
67.01871	1.9
69.03419	1.6
69.75319	8.3
69.75749	4.9
79.05469	2.1
81.03374	3.0
85.02900	10.4
91.05445	1.9
93.03388	6.0
95.01311	2.9
95.04924	3.5
97.02876	4.1
103.03897	3.4
105.03361	3.0
107.04924	13.3
109.02834	8.2
109.38722	1.6
111.04439	3.3
115.05402	3.9
117.06982	4.3
119.04908	6.6
120.08120	2.0
121.02850	100.0
123.04399	2.1
131.04919	6.5
133.02826	2.2
133.06473	5.8
135.00772	2.2
135.04367	9.6
136.73105	1.8
137.02327	1.8
137.23756	2.0
139.03836	3.8
145.06474	4.4
147.04347	5.0
149.02316	4.5
151.03929	2.9
159.04398	8.3
161.02290	4.7
161.05952	5.0
163.03885	4.4
165.01808	4.6
169.06508	2.3
171.04395	4.2
173.02199	3.1
173.05974	9.6
175.03889	4.6
175.07426	1.9
177.01797	12.0
177.05449	4.8
183.02859	4.1
185.05978	2.4
187.03879	9.6
189.01793	17.8
189.05397	3.5
191.03342	7.0
193.01228	2.6
195.02869	21.7
197.05939	2.6
199.03842	2.7
201.01808	8.3
201.05408	10.4
203.03357	8.7
205.01311	2.1
205.05005	2.3
207.02859	21.5
209.04338	2.3
211.03802	3.2
213.05434	4.6
215.03322	14.0
217.01178	2.3
217.04907	4.2
219.02873	25.3
221.00787	8.1
221.04410	6.1
223.02199	8.3
225.03650	2.1
225.05553	3.2
227.03326	6.5
229.04965	11.4
231.02855	28.0
233.04353	8.0
241.04977	2.7
243.02844	28.8
243.06496	2.9
245.04378	5.6
247.05934	2.6
249.03831	13.1
253.04944	6.7
253.08594	3.7
255.02869	13.7
257.04407	11.8
259.02451	3.8
259.06061	4.1
261.03903	32.4
267.02847	3.9
269.04437	9.2
269.07983	3.9
271.02911	2.3
271.05942	14.6
273.03876	22.5
281.04471	5.4
281.07947	3.1
283.05981	8.2
285.03903	24.1
287.05460	2.5
289.03488	3.0
291.04971	10.8
295.05981	10.4
295.09122	2.5
297.03867	19.6
297.07300	4.7
299.05435	8.4
299.09003	4.4
301.07068	6.9
303.04803	8.1
309.03717	9.5
311.08893	2.4
313.03586	3.4
313.06998	12.8
315.04926	11.2
321.06296	3.3
323.05670	2.3
323.09149	4.2
325.07086	16.1
327.04883	12.7
327.08353	3.4
337.07047	18.3
339.04993	6.5
341.06418	3.0
341.10281	3.8
345.05975	3.0
349.07104	7.3
351.04694	3.8
355.08090	17.1
357.05865	3.6
361.06915	5.4
365.06427	3.1
367.08109	22.9
367.67667	2.1
369.05707	2.1
371.07431	6.0
379.08008	30.2
383.07458	2.3
385.00357	1.7
385.09149	10.6
391.07916	21.7
395.07471	2.8
397.09064	15.1
401.08643	4.4
403.10364	29.7
409.08981	3.2
409.87338	1.7
415.10388	16.6
421.09256	28.4
433.11365	24.7
439.10141	22.2
445.08926	3.7
451.10327	15.7
457.11276	16.9
463.10638	8.6
469.11264	34.6
481.11047	13.6
487.12534	4.2
499.12265	15.8
517.13043	12.0
529.15918	2.1
535.14502	12.7
553.15405	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	553.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02374	0.5
52.18053	0.1
53.03929	0.5
55.01836	0.2
57.03425	0.2
60.60056	0.1
67.05451	0.2
67.08047	0.1
69.03416	0.7
69.75368	0.2
70.90406	0.2
70.90752	0.4
73.02885	0.2
77.03930	0.5
81.03394	0.3
84.08134	0.1
85.02893	0.4
91.05441	0.3
95.04948	1.3
102.04642	0.4
103.05448	41.1
104.05764	0.3
105.04512	0.3
115.05430	0.3
117.07006	0.2
127.03889	0.5
131.04901	100.0
132.05249	1.2
149.05974	0.4
151.03809	0.2
153.01810	0.4
155.04898	0.8
167.06889	0.2
171.04468	0.2
173.05954	0.4
183.04372	0.9
187.03883	0.4
201.05458	0.6
211.03880	2.6
213.13286	0.1
217.04865	0.2
219.02852	0.2
221.05945	0.4
225.05376	0.5
229.04930	1.9
239.03401	0.5
245.04407	0.4
253.04927	0.3
256.03656	0.4
257.04407	17.0
258.04593	0.2
260.03256	0.3
261.03900	3.4
261.06635	0.2
263.01892	0.6
267.02808	1.0
271.03296	0.2
271.05838	0.9
273.03885	8.3
274.04565	0.3
275.09106	0.3
281.04477	0.5
285.03888	38.6
286.04269	0.7
287.02139	0.4
287.05231	0.3
289.03232	0.2
293.10129	2.8
295.06058	0.3
297.04007	0.9
299.02100	0.2
299.05371	2.7
301.03439	0.3
303.04947	5.9
305.59589	0.2
311.05408	0.2
313.03433	0.3
313.07120	0.5
315.04825	0.3
323.05429	0.6
325.03378	0.4
327.04956	4.2
339.04977	2.0
341.07010	0.2
351.04947	1.5
357.05994	0.5
369.05963	4.7
369.72946	0.2
373.06924	0.3
387.08286	3.0
401.06476	0.5
403.68329	0.2
405.08096	1.0
415.07971	2.3
419.07458	0.2
433.09113	3.9
517.11188	0.4
535.12372	0.8
553.13361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1334
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
55.01870	0.6
61.02904	0.4
65.03924	4.7
67.05480	0.7
68.99803	0.4
69.03412	0.6
69.71722	2.0
69.72139	0.7
70.06577	0.7
71.01313	0.3
72.33067	0.3
73.02908	0.4
74.06048	0.4
78.74102	0.3
79.05463	0.3
81.03394	1.4
81.07036	0.6
82.94101	0.3
85.02895	1.6
90.66571	0.4
91.05511	0.6
93.03353	0.4
95.04926	0.8
95.08589	0.4
97.02895	0.4
98.21429	0.7
98.58053	0.4
105.03385	1.4
105.07032	0.3
109.02862	0.9
109.10116	0.4
111.04430	4.2
119.04939	2.1
121.02852	100.0
122.03173	1.1
127.03952	0.8
131.04935	0.3
137.05965	1.1
139.03891	0.6
145.02821	1.4
149.02304	1.8
163.03862	1.3
165.01813	1.8
165.06926	0.5
167.03371	2.1
169.09669	0.7
173.11662	0.4
177.01831	1.6
181.05008	0.6
183.02843	0.9
191.03447	0.6
195.02892	0.9
211.07465	0.7
229.04845	0.5
229.14474	0.6
239.06975	1.9
253.19470	0.4
257.04529	0.6
267.06494	14.6
270.05197	1.1
271.05939	3.7
273.03772	0.5
281.08072	1.7
283.05838	19.4
284.06741	3.7
285.03854	1.3
285.07327	0.5
288.02563	0.4
289.03366	0.6
295.05975	67.7
296.06393	1.1
297.03964	0.7
297.07526	1.5
305.07986	0.5
307.06030	1.1
308.06680	0.7
309.03937	0.7
309.07547	7.2
311.05447	0.7
313.07013	38.2
314.07468	0.4
323.09088	2.1
333.07599	0.6
335.05447	0.4
337.07013	9.3
338.07645	0.4
349.07239	2.3
351.08841	0.5
361.06973	1.9
367.08099	4.3
370.94345	0.5
379.08127	5.1
397.09091	4.9
403.10315	0.4
415.10223	13.1
420.81369	0.4
433.11151	8.8
517.12872	0.5
535.12305	0.9
553.13361	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	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26004	0.1
55.05503	0.4
56.05015	0.5
57.46577	0.2
58.06612	0.6
59.07368	0.2
60.08152	7.6
61.02924	0.2
67.05474	0.2
69.03398	0.2
70.06584	0.3
70.20785	0.1
70.45906	0.1
71.07357	3.1
71.10372	0.4
75.47439	0.2
79.05457	0.3
81.07037	0.7
83.08587	0.2
86.09690	32.4
87.10003	0.2
91.05473	0.4
93.07028	0.2
95.08573	0.3
98.98454	3.2
104.10726	13.1
105.03389	0.2
105.06998	0.3
107.08541	0.2
109.10119	0.2
119.08569	0.2
124.99982	21.8
133.10242	0.2
143.01045	0.5
166.02655	0.2
184.07310	100.0
185.07648	0.7
258.10992	0.3
334.76428	0.2
378.31461	0.2
406.66736	0.2
475.46246	0.2
534.31714	1.9
552.32910	6.2
553.32666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99873	0.6
61.77974	0.6
71.69851	1.3
94.92989	0.9
102.53603	0.6
112.89592	5.0
120.94582	0.6
136.94006	0.6
164.93510	1.5
168.92139	4.8
181.76933	0.6
186.93164	6.8
192.93085	0.8
209.95709	1.0
210.94057	100.0
228.94183	10.2
246.95280	5.5
248.45184	0.6
248.74359	0.7
259.39969	0.7
270.95273	10.4
271.00723	1.8
282.95300	1.7
288.96133	1.8
300.96384	2.4
312.96323	1.1
330.97473	2.7
372.98520	1.9
381.07904	10.9
393.83542	0.7
401.94824	0.8
419.03467	0.8
553.04932	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	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
55.05495	0.4
56.05031	0.7
57.07070	0.1
58.06357	0.2
58.06615	0.5
60.08152	7.4
67.05481	0.5
68.28049	0.1
69.07062	0.1
70.06572	0.3
70.33651	0.6
71.06956	0.2
71.07353	3.3
71.81998	0.1
75.36499	0.1
79.05490	0.3
81.07043	0.7
83.08601	0.2
84.08139	0.2
86.09689	32.7
87.10010	0.1
91.05474	0.3
93.07025	0.3
95.08543	0.2
98.98449	3.0
104.10722	15.9
105.03330	0.1
105.07040	0.2
107.08574	0.2
109.10146	0.2
116.99445	0.2
119.08568	0.2
123.66991	0.1
124.99977	20.8
125.09646	0.2
133.10085	0.1
143.01039	0.3
145.10036	0.2
167.07095	0.1
168.25462	0.1
184.07307	100.0
185.07683	0.5
258.11008	0.4
496.91513	0.1
534.31897	2.1
552.32880	7.9
553.33002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71716	0.7
55.05490	1.9
56.05022	1.5
58.06577	1.1
59.07336	0.8
60.08157	17.4
67.05476	1.5
69.07037	1.2
70.06576	1.2
71.07357	7.4
71.08611	1.0
72.08123	0.8
79.05491	1.1
81.07051	3.1
83.04986	0.7
83.08603	0.7
86.09695	50.8
87.47690	0.6
91.05463	2.0
93.07027	1.1
95.04942	0.7
95.08582	1.1
97.06470	0.6
98.98452	4.6
104.10729	100.0
105.07027	1.6
107.08577	1.5
109.10178	0.9
111.08051	0.7
111.73834	0.6
113.09476	0.7
117.06946	0.6
121.30873	0.6
124.99995	27.6
147.11670	0.7
153.79268	0.7
162.67120	0.6
184.07321	93.0
196.58499	0.7
233.05772	1.2
250.04637	0.6
258.10947	1.3
387.74918	0.7
513.67261	0.6
534.31879	8.5
552.32935	32.5
553.32202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.05488	13.6
57.07056	9.7
62.66961	2.2
67.05498	23.7
69.07053	18.7
69.50508	20.8
79.05494	21.4
81.06607	3.5
81.07046	39.4
83.08603	8.9
85.06499	2.8
91.04931	2.2
91.05466	35.3
93.07037	54.1
95.04982	2.9
95.08597	45.3
98.20629	2.3
100.46487	2.1
103.05428	3.2
105.07013	69.7
107.07907	3.8
107.08584	53.5
109.10146	40.3
111.08059	2.5
115.05400	2.4
117.06980	13.4
119.08570	100.0
121.10124	50.0
123.08043	4.1
123.11688	16.0
128.06190	5.0
129.07027	10.3
130.07803	4.2
131.08557	29.2
133.10110	60.0
135.11678	41.3
137.09570	3.1
141.06981	3.4
142.07744	8.9
143.08534	23.9
144.09286	8.4
145.10104	72.3
147.11670	30.4
149.09564	2.8
149.13211	5.2
155.08545	7.4
156.09355	9.5
157.10109	34.3
158.10878	4.6
159.11671	36.6
161.13243	10.8
165.06999	2.7
167.08559	6.9
168.01111	2.0
169.10092	16.0
170.10895	3.7
171.11684	24.2
172.12276	3.0
173.13258	26.1
175.14803	41.2
179.08528	7.5
180.09363	2.9
181.10117	10.0
182.10838	6.7
183.11670	15.8
184.12469	2.4
185.13229	16.0
187.14787	13.8
189.16360	4.8
193.10078	6.9
194.10863	5.6
195.11606	8.7
196.12398	4.7
197.13214	21.4
199.14746	8.9
201.16324	15.0
206.10799	2.8
207.11642	6.9
208.12457	3.3
209.13194	17.7
210.14044	3.2
211.14784	11.6
213.16309	5.5
219.11598	2.9
219.17401	6.5
221.13261	6.2
223.14781	10.1
225.16382	5.8
233.13222	4.3
235.14720	4.3
237.16278	5.4
239.17897	7.4
241.19443	5.7
247.14796	3.2
249.16423	4.4
251.18079	4.4
253.19398	4.8
257.19012	2.6
259.20428	2.8
261.16345	2.5
265.19635	5.4
267.21082	2.9
275.17914	2.4
277.19382	2.8
279.20993	3.9
283.20459	5.1
285.22110	5.1
289.19589	3.8
319.24194	2.6
345.25461	3.2
483.56549	2.2
490.45596	2.3
495.36111	4.5
533.41425	4.8
551.42456	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	551.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52846	1.4
53.03941	2.3
53.37118	1.3
55.01873	1.9
57.07037	1.3
58.56802	1.3
70.06573	3.8
70.94598	4.0
72.08150	1.5
77.01601	1.4
79.05482	6.3
85.02905	3.1
91.05472	5.2
95.04946	2.3
103.05450	25.0
105.07014	63.7
108.60555	1.7
115.05442	15.0
118.04108	7.2
119.04916	3.1
120.08124	1.6
131.04904	13.6
131.05782	1.9
132.05721	2.2
133.02838	2.2
133.06467	57.9
136.75412	1.5
137.05980	3.1
143.06041	5.2
146.03705	1.4
147.04402	2.1
148.05203	8.2
161.05957	100.0
162.06313	3.1
163.07504	11.8
167.07010	2.6
191.06996	61.6
192.07350	1.8
192.85034	1.7
193.08583	36.1
285.03729	1.6
286.04285	1.7
290.98413	1.3
302.45853	1.4
303.04901	2.1
314.12259	2.4
315.12677	2.4
340.75439	1.6
491.15460	4.5
519.14789	3.6
551.17554	6.8
576.49042	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	551.2822
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05492	0.6
60.27409	0.3
67.05482	1.2
69.07072	0.5
71.70593	0.5
79.05472	1.0
81.07056	1.4
85.02859	0.4
91.05464	0.9
93.07041	0.8
95.04908	0.3
95.08606	0.6
100.92281	0.3
105.07005	0.4
107.08587	0.5
109.06560	0.3
109.10165	0.5
110.38650	0.3
117.06986	0.3
119.08568	0.5
131.08562	0.4
133.10030	0.4
236.74406	0.3
259.07874	0.6
275.20093	0.5
331.10187	0.5
333.19250	0.5
365.15869	0.9
389.22934	2.6
477.24838	0.3
551.28198	100.0
552.28497	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	550.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.05495	14.0
66.19643	4.0
67.05492	18.8
69.03412	9.1
69.07048	16.1
70.06582	5.2
70.76024	11.5
79.05474	15.9
81.03443	3.7
81.07049	40.6
83.04972	3.7
83.08603	6.7
85.02886	14.2
87.04441	4.0
91.05463	29.3
91.91939	3.1
93.07027	82.8
94.48330	3.5
95.04951	7.0
95.08579	33.1
97.02904	7.7
97.06515	4.5
103.05486	4.1
105.07018	29.5
107.04973	7.9
107.08588	36.8
109.06525	5.8
109.10144	46.5
111.08071	19.8
115.03921	9.0
117.70555	3.1
119.08574	24.9
120.08073	3.8
121.02806	4.7
121.10120	18.0
122.03598	4.6
123.04399	5.0
123.11665	10.6
125.09577	4.1
131.04929	8.7
133.04964	10.5
133.10117	15.4
135.11681	53.6
137.05959	44.8
145.10005	3.8
147.11656	27.5
149.06027	3.8
161.13268	5.9
163.03795	3.3
165.12743	4.5
167.07022	100.0
175.14903	3.4
193.08606	4.8
203.17915	29.1
221.19106	6.7
222.44502	3.5
233.10004	3.4
273.03830	3.7
274.04279	7.2
285.03867	5.2
341.13843	20.0
397.02194	3.6
399.10757	7.9
400.11026	21.0
401.11932	6.3
430.12244	15.4
454.12296	4.3
455.13336	6.1
514.14594	6.2
532.15289	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	551.1025
Annotation	6-Hydroxyluteolin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.71352	0.3
53.03949	0.4
55.01865	9.7
56.04999	0.5
57.03419	0.5
61.02894	0.4
67.05473	0.4
69.03416	2.2
70.06557	1.2
70.50594	0.3
71.04954	0.3
71.06109	0.4
71.06461	0.9
72.08132	1.0
73.02905	14.3
81.03419	0.8
82.06551	0.4
83.01347	0.4
83.86086	0.3
84.08157	0.5
85.02892	9.0
86.09695	1.0
91.03934	0.7
97.02862	2.5
99.04426	0.7
101.02359	15.6
103.03916	0.8
116.07052	0.4
119.03374	0.8
120.08078	0.6
121.02844	0.4
123.04382	0.3
127.03908	4.7
127.08634	0.5
129.01808	1.1
131.04930	0.4
137.05957	0.6
144.06563	0.4
145.04901	1.1
147.02858	0.6
153.01758	0.4
155.04932	1.6
163.03918	0.4
173.05960	0.6
175.08977	0.4
176.00975	0.3
183.04387	1.5
201.05388	2.4
207.13774	0.4
211.03879	7.7
219.02878	1.1
225.05557	0.7
229.04929	6.0
239.03305	1.3
243.02814	0.6
245.04401	0.7
253.04948	0.6
256.03625	1.2
257.04410	58.7
258.04868	1.1
260.03033	2.4
261.03885	2.8
263.01993	0.4
267.02820	2.1
269.04306	0.5
271.06042	1.2
273.03870	17.4
274.04642	2.9
275.05438	0.4
279.20557	0.4
281.04419	0.7
285.03891	100.0
286.04269	1.2
287.01932	0.6
287.05670	0.4
291.07117	1.8
295.06107	0.4
297.03885	1.7
299.05435	3.7
303.04944	48.2
304.05249	0.6
311.05307	0.6
313.06934	0.7
315.04999	0.4
323.05328	0.6
327.04926	4.6
339.04987	1.6
351.04971	1.0
357.06073	0.8
369.06036	3.8
387.06952	1.6
405.08148	1.8
431.06033	21.3
530.48083	0.4
551.09991	2.8
551.18292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.36229	0.9
55.01863	1.4
57.03424	2.4
69.03404	1.8
70.06573	1.8
70.83324	2.8
71.01759	0.7
77.66967	0.9
81.07091	0.8
85.02885	11.9
86.09681	1.1
94.06551	1.4
97.02895	1.4
99.04446	2.5
104.17857	0.9
107.04981	1.2
109.02879	1.2
109.06465	0.8
120.08063	1.1
120.67146	0.8
123.08047	1.0
127.03876	2.4
131.04874	1.1
131.31842	0.8
132.68852	1.1
137.05954	3.7
145.04916	1.7
146.05977	1.3
151.07497	1.0
167.07089	1.4
197.10748	4.0
198.07816	1.8
198.11545	2.1
199.08691	9.2
200.05920	0.9
201.10263	1.6
207.13777	5.9
210.11346	0.9
211.03867	1.9
211.08626	12.9
211.12305	1.8
212.09319	4.7
213.10207	11.3
213.13605	0.9
214.07301	1.5
214.11029	3.5
222.09152	1.6
224.09154	1.3
224.10957	1.4
225.10181	21.8
225.12285	1.3
226.07362	11.9
226.10927	9.8
227.08127	14.8
227.11667	8.9
228.09004	1.3
229.04944	2.1
239.08192	2.1
239.11726	12.1
240.08896	2.5
240.12500	5.7
241.09702	18.5
241.13362	3.1
242.10413	12.9
242.14125	1.4
249.10378	0.9
251.11845	2.3
252.09023	1.8
253.09659	14.9
254.10362	4.2
255.11238	17.9
255.13812	1.4
257.04407	16.3
257.12802	41.4
258.13318	1.0
261.03897	1.3
265.09662	2.5
266.10580	1.2
267.03168	0.9
267.11267	18.4
268.08911	1.8
268.12015	17.5
269.09180	2.7
269.12833	5.6
271.10693	1.7
272.11539	1.0
273.03860	9.2
279.11124	1.5
280.12064	5.2
281.09201	2.6
284.11548	3.4
285.03900	33.6
285.12302	9.0
286.04239	1.1
286.09702	1.5
286.13055	3.8
295.10754	12.2
296.08023	1.0
296.11514	17.8
297.12143	6.4
298.13184	2.4
299.05670	1.5
299.10223	2.5
300.11032	1.8
303.04968	10.7
313.11789	64.4
314.12543	25.8
315.13354	3.2
323.10059	1.2
324.10968	2.0
327.05042	2.3
339.05066	2.7
339.12399	1.2
341.11203	5.7
342.12057	48.6
343.12640	1.2
345.14407	1.1
351.04999	1.2
355.12946	1.7
356.13858	1.3
359.12347	1.4
369.06146	2.0
373.13876	15.4
374.14328	9.2
383.12393	1.3
387.11725	1.0
401.09393	2.2
415.15225	1.1
417.12866	1.6
429.07950	11.2
429.12939	2.1
433.15961	3.2
443.14624	8.4
455.14420	2.8
457.12344	4.1
461.15421	1.1
471.14191	6.8
473.15466	7.0
475.13666	1.2
489.14981	50.4
499.13412	3.9
517.14465	62.8
518.14801	2.0
531.15985	2.0
549.17114	100.0
550.17242	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	549.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29319	0.8
62.53990	0.9
70.06575	1.4
71.23058	2.0
77.37118	1.0
84.08124	1.0
85.02899	1.8
86.82616	1.0
94.06550	1.4
100.41171	0.8
103.81548	1.0
109.84089	0.8
137.05972	1.2
147.11682	0.9
164.63623	1.0
178.04910	1.2
197.10719	3.6
198.11494	1.2
199.08647	8.2
199.12434	1.3
207.13823	3.2
211.08606	12.0
211.10201	1.1
211.12259	2.1
212.09372	5.2
213.10178	11.0
214.10938	3.3
221.10777	0.9
223.08749	1.2
224.09334	2.0
225.10187	23.5
226.07428	9.1
226.10828	9.9
227.08136	14.5
227.11670	6.7
228.08717	1.2
237.10233	2.5
239.08096	1.3
239.11722	9.3
240.08798	4.3
240.12401	5.5
241.09671	15.2
241.13414	3.8
242.10471	11.7
242.14267	1.2
249.10332	1.2
251.11800	2.2
252.08936	2.2
253.09686	11.8
254.10466	3.4
255.11293	16.9
257.12796	38.8
258.13190	1.3
265.09708	1.9
267.11285	15.2
268.08942	1.9
268.12000	16.2
269.09436	2.1
269.12869	4.0
271.10806	2.6
273.03714	1.0
280.11935	2.9
281.09235	2.1
284.11508	4.1
285.03925	2.7
285.12302	7.9
286.09518	1.1
286.13052	2.3
295.10742	12.3
296.11447	15.3
297.12244	5.1
298.13278	1.5
299.10229	2.3
313.11771	60.5
314.12521	25.6
315.13235	2.4
323.10214	1.6
324.11295	1.4
341.11124	5.2
342.12045	38.2
345.14435	1.2
356.13992	1.6
373.13831	11.4
374.14502	8.4
401.09399	2.0
411.11572	1.4
415.15198	1.4
429.13049	2.1
433.15994	2.4
443.14539	8.7
455.14578	1.7
457.12271	4.0
461.15747	1.5
471.13843	6.0
473.15356	5.5
489.14972	54.1
490.15433	1.5
499.13162	3.0
500.14465	1.0
517.14471	60.9
518.14301	1.9
531.16162	2.2
549.17059	100.0
550.17181	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	549.1235
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
53.03927	1.4
55.01862	1.0
56.05031	0.5
57.03426	5.5
57.03691	1.0
61.02908	1.7
69.03423	5.0
69.77109	1.1
69.77518	2.3
70.06567	2.1
71.04963	1.3
73.02887	0.9
77.28134	0.5
79.05467	0.8
81.03408	3.5
81.07037	0.8
84.08121	1.7
84.18403	0.4
85.02893	37.2
86.09687	1.5
86.20065	0.4
87.04459	1.2
91.05452	0.9
93.07031	1.1
95.04942	0.6
95.08588	1.2
97.02873	6.5
97.06474	0.6
99.04440	7.7
103.03925	1.8
103.05456	0.6
105.07004	2.3
107.01257	0.7
107.04948	1.1
107.08632	0.8
107.56816	0.5
109.02871	4.4
109.06515	0.7
110.07098	0.5
112.89989	0.5
115.05379	0.6
119.08544	1.1
120.08084	0.8
121.06489	1.1
121.10162	1.2
123.08049	6.7
125.02395	0.5
127.03902	9.5
131.08534	1.1
133.06459	0.9
133.10114	1.9
135.08020	0.8
136.07581	0.6
137.05945	3.3
145.03839	0.8
145.04941	10.9
145.10094	0.5
147.08015	0.6
151.03822	0.5
151.07515	10.5
153.01802	1.4
153.09068	0.6
155.04948	0.9
155.95280	0.6
163.05989	1.0
163.11137	3.0
167.06958	2.0
171.04459	0.8
179.20090	0.5
181.12233	1.3
183.04333	1.2
189.12685	2.6
190.02357	0.5
191.14323	0.7
201.05476	1.5
207.13779	15.4
207.15651	1.1
209.15323	1.6
211.03854	6.5
211.08624	0.6
215.03281	0.6
219.02829	1.4
225.05424	1.3
225.10072	1.2
225.14861	1.7
229.04916	4.8
239.03412	1.0
241.09662	1.4
242.10559	0.7
243.02812	0.8
245.04352	1.7
249.05525	0.6
253.04886	0.7
255.11203	0.8
256.03571	0.9
257.04416	46.6
257.12979	1.2
258.04773	0.9
260.03143	2.5
261.03857	4.2
263.01843	1.2
267.02869	2.2
268.12033	1.5
271.06082	3.0
273.03897	39.7
274.04559	1.9
281.04379	1.6
285.03900	100.0
286.04227	1.8
287.02002	0.6
289.03329	0.8
289.09076	1.8
295.05981	1.9
296.11517	1.0
297.03830	4.0
298.04672	0.8
299.02066	1.1
299.05322	8.5
301.03296	0.6
303.04947	31.9
304.04999	0.8
307.09772	1.0
311.05463	0.7
313.07089	1.9
313.11777	2.3
314.12457	1.2
315.04956	0.6
323.05576	2.9
323.08923	0.6
327.04993	10.8
339.04984	12.7
339.11691	0.8
341.06537	0.7
342.11874	3.4
351.04980	6.5
357.06049	1.7
369.05972	13.7
369.18887	0.7
387.07132	3.4
387.19861	1.2
405.08102	2.0
429.08121	27.3
443.14362	0.7
489.15045	3.4
517.14551	5.6
531.11090	1.3
531.23810	0.7
549.11523	1.8
549.17365	2.8
549.25604	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	548.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09801	3.3
53.03938	5.4
55.05268	2.8
55.05500	16.6
57.03436	19.5
61.02922	4.9
67.05492	53.3
69.07063	16.5
69.40831	29.3
71.04993	3.9
79.05487	51.8
81.03378	4.3
81.07050	53.5
83.04966	3.5
83.08600	8.2
85.02908	6.4
85.06542	3.2
91.05470	38.9
93.07030	60.4
93.07584	4.2
93.94631	2.4
95.04963	8.3
95.08596	42.7
97.02869	4.9
97.06529	5.4
97.10192	3.3
98.21442	6.2
99.08113	3.5
105.07021	35.3
107.08581	39.6
109.10138	17.3
117.07010	15.3
119.08571	26.9
121.10126	28.8
123.08035	6.5
123.11618	3.5
125.09628	4.4
129.07002	6.4
131.08546	26.3
133.10114	25.7
135.08072	4.1
135.11694	29.0
143.08546	7.6
145.10115	18.7
146.33554	2.6
147.11679	24.7
149.13243	16.9
157.10063	4.3
159.11662	17.6
161.13240	11.7
163.11235	3.5
171.11705	7.3
173.13153	6.5
175.14810	6.9
183.11711	3.0
185.13217	5.8
187.14793	10.3
199.14804	6.6
219.17488	3.3
231.20975	3.7
241.19492	15.3
242.34398	2.9
259.20551	36.7
269.17444	6.7
277.21591	26.4
333.24091	6.9
351.25262	100.0
422.70892	2.8
455.81094	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01838	4.8
55.05513	23.8
57.03418	10.1
57.07068	4.5
67.05493	92.6
69.07072	25.4
71.04967	8.4
71.43277	7.6
71.43625	9.6
77.48918	5.7
79.05487	50.9
81.06606	8.0
81.07046	100.0
83.04971	6.5
83.08604	13.3
85.06543	5.7
88.70292	4.4
91.05471	46.5
93.07036	62.6
95.04942	6.9
95.08593	62.1
97.06500	10.2
105.07016	33.0
107.08585	42.6
109.06463	5.3
109.10152	28.6
109.10770	4.5
111.09396	4.2
117.07025	13.8
119.08592	26.8
121.10154	32.0
123.11658	12.9
129.07045	4.7
131.07660	4.3
131.08517	25.5
133.10123	24.4
135.11659	20.3
143.08542	10.5
145.10094	21.9
147.11650	16.3
149.09628	6.8
149.13232	18.0
155.08505	5.3
159.11678	18.8
161.13202	12.3
171.11647	4.7
173.13205	11.2
173.15065	4.2
195.13916	5.3
256.20834	5.0
259.20667	5.0
261.22198	20.9
267.16031	4.7
269.17496	22.1
275.20023	6.0
287.23419	7.0
301.25085	5.1
316.33496	5.2
326.19699	4.6
335.25723	16.2
337.00995	6.0
394.62451	4.6
437.34036	15.2
455.35110	13.8
473.36166	13.3
480.96658	5.3
529.38879	65.8
547.40558	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	547.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08027	1.3
53.03931	4.4
55.01870	7.8
55.05505	20.4
57.03431	12.3
57.07059	1.9
65.03928	4.0
67.05496	70.7
69.03422	4.5
69.07057	18.8
69.61266	8.8
69.61688	3.4
69.99384	1.5
71.04989	8.7
73.02867	1.5
75.75583	1.5
79.05480	44.2
81.03390	4.5
81.07044	70.9
83.04959	11.4
83.08611	7.7
85.06532	7.0
91.05465	76.1
93.07029	52.9
95.04955	9.6
95.08588	29.0
97.06500	6.6
97.10147	3.0
99.04442	3.7
99.08067	1.5
104.56107	1.8
105.07015	69.9
107.04942	2.5
107.08576	53.3
109.06499	9.2
109.10137	60.3
111.08059	2.6
117.06990	12.8
119.08561	43.1
119.21272	1.3
121.06435	1.8
121.10124	19.0
123.08048	3.1
123.11688	11.1
125.09603	3.0
127.07545	3.1
128.06200	1.7
129.05475	2.4
129.06958	8.6
131.08549	22.8
133.10106	100.0
133.15981	1.6
135.08076	3.5
135.11659	16.5
137.09596	2.7
142.07675	1.6
143.08557	7.8
145.10094	18.5
147.11662	28.9
149.09575	2.5
149.13248	10.5
151.11159	40.3
155.08533	2.0
157.10081	7.5
158.36769	1.4
159.11694	14.6
161.09598	4.3
161.13240	29.9
162.05923	1.3
163.11127	3.7
163.14818	4.6
169.12206	9.3
171.11676	8.8
173.13243	8.9
175.14798	12.1
179.10657	3.0
183.11682	1.7
185.13274	7.4
187.14801	3.1
189.12735	2.4
199.14772	5.4
201.16377	2.3
209.13275	1.6
210.65526	1.5
213.16383	2.4
215.12749	6.5
222.66269	1.5
231.21051	6.3
241.19487	30.9
253.14313	70.5
255.16093	3.2
257.19019	2.7
259.20535	64.9
271.15372	51.5
275.20105	8.7
277.21558	5.5
315.23080	6.5
333.24158	36.5
349.23682	3.2
351.25201	1.7
419.29367	1.6
437.30533	4.8
455.31592	3.8
511.34274	7.1
529.34961	19.4
547.36932	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	547.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01864	11.2
55.05504	32.4
55.05767	3.5
57.03433	14.9
57.07062	3.8
58.74265	1.6
59.07613	1.9
65.03937	5.2
65.86143	1.6
67.05496	88.1
68.05826	3.0
69.07060	38.2
70.60356	5.4
70.60709	2.6
71.01341	3.4
71.04975	7.1
79.05482	75.4
80.05797	2.9
81.03403	5.8
81.07045	100.0
82.07383	3.0
82.78802	1.6
83.04977	14.8
83.08611	15.5
85.02902	3.0
85.06532	8.0
91.05467	63.3
91.06045	3.4
92.05793	2.5
93.07037	69.9
94.07363	2.2
95.04959	20.3
95.08595	39.5
96.08942	2.3
97.06532	16.2
97.10139	8.1
98.20670	1.8
99.04459	3.8
99.08053	4.7
105.07016	65.6
106.07336	3.0
107.04942	8.7
107.08579	60.5
108.08900	3.5
109.06516	18.8
109.10141	38.3
111.04417	3.8
111.08080	4.3
113.05992	3.2
115.05372	2.5
117.07011	17.0
119.08555	42.1
119.09407	2.4
119.20544	1.6
120.08926	2.9
121.06494	4.7
121.10130	21.9
123.08038	6.9
123.11703	11.6
125.09617	6.9
127.07538	2.3
128.06232	2.3
129.07008	10.8
131.08551	23.0
132.08868	2.9
133.10112	61.6
134.10448	1.9
135.08044	6.3
135.11670	34.7
136.11961	1.7
137.09596	6.0
137.13272	2.6
137.24008	1.9
143.08586	8.3
145.10114	26.1
146.10440	2.5
147.08057	2.5
147.11684	32.3
148.11961	2.7
149.09612	10.6
149.13266	11.3
151.11171	25.0
153.12695	2.1
155.08492	3.1
157.10114	5.5
159.11694	16.7
160.12100	2.1
161.09589	5.1
161.13208	14.8
163.11174	14.8
163.14784	2.3
165.12724	5.4
169.10101	3.3
169.12193	4.5
171.11681	9.8
173.13216	9.0
175.11223	4.0
175.14854	7.0
181.12228	5.1
183.11610	2.7
185.13239	6.1
186.13614	2.3
189.11118	2.7
199.14886	2.3
207.13750	1.9
215.12828	3.0
223.13246	8.0
229.19478	2.2
231.21043	4.3
236.98814	1.8
241.19527	14.3
247.20561	3.9
253.14284	25.0
255.15889	16.6
257.18909	5.3
259.20557	23.2
260.20837	3.6
267.15924	2.4
271.15353	23.2
271.17947	3.7
275.19995	49.3
277.21753	3.4
293.21075	9.1
315.23059	2.4
333.24216	13.2
349.23511	11.9
419.28870	2.3
437.32928	1.8
473.35449	2.1
511.33978	4.1
519.39209	2.1
529.35687	22.7
547.36261	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	10.0
55.01862	12.8
55.05501	46.0
57.03425	12.6
57.07065	2.4
65.03918	5.2
67.05139	5.4
67.05493	100.0
69.03407	4.9
69.07051	36.8
69.99033	2.1
71.01323	4.3
71.04963	11.2
71.69977	3.8
77.03906	3.6
79.05479	91.1
81.03400	12.2
81.06552	3.7
81.07037	67.0
83.04967	24.4
83.08611	29.5
85.02885	5.9
85.06522	3.0
89.16110	2.2
91.05461	53.8
93.07029	99.6
95.04396	4.1
95.04955	56.3
95.08589	38.2
97.06516	17.9
97.10147	18.8
99.04443	7.9
99.08021	2.7
105.07009	41.7
107.04917	14.2
107.08572	64.9
109.06486	10.6
109.10146	22.2
111.04426	13.3
111.08047	8.1
113.09570	2.6
117.06976	17.9
119.08548	32.3
121.06483	8.4
121.10103	31.8
123.08024	8.3
123.11698	5.5
125.05952	2.9
125.09579	14.2
129.07002	6.7
131.08531	23.3
133.06381	2.3
133.10101	20.5
135.08020	6.6
135.11664	52.1
137.09619	4.7
139.11139	3.5
142.07726	2.5
143.08543	3.2
145.10091	25.4
145.63248	2.3
147.08017	4.0
147.11652	12.9
149.09573	25.7
151.11145	3.3
153.09067	3.1
155.08519	3.7
157.10089	7.2
159.11676	11.3
161.13200	6.8
163.11165	34.3
165.04762	2.4
165.12737	5.5
167.10660	3.8
169.10144	3.3
169.12320	2.8
171.11668	6.0
173.09476	2.3
173.13240	5.8
177.12733	6.4
181.02734	2.6
181.12244	8.8
183.11685	2.9
185.13232	3.0
187.11206	3.7
187.14807	3.2
189.11139	11.6
194.98325	2.4
197.13222	2.8
205.12181	5.6
207.13907	2.5
223.13245	60.3
227.12740	4.4
229.19534	3.2
239.17975	3.4
255.15886	8.9
257.19003	12.0
261.22101	2.9
273.18481	2.6
275.19992	70.3
293.21112	34.0
322.12891	2.2
349.23553	12.0
404.48367	2.5
496.51480	2.8
529.34680	11.7
547.36169	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
53.96125	2.7
55.01851	8.4
55.05502	37.3
57.03416	9.7
57.07069	3.4
61.02913	4.9
67.05494	37.0
69.03072	2.7
69.03413	7.4
69.07071	15.5
69.83858	4.3
69.84193	18.2
71.04971	4.1
79.05486	39.2
81.03397	8.7
81.07037	39.7
83.04967	10.0
83.08613	27.9
85.02887	11.7
91.03937	2.8
91.05453	27.2
93.07028	31.7
95.04957	54.0
95.08589	18.9
97.02875	4.3
97.06527	8.0
97.10157	8.3
99.04433	6.1
105.07005	27.2
107.04958	9.6
107.08574	33.7
109.06496	11.1
109.10152	11.8
111.04419	11.2
111.08088	5.2
117.06995	11.3
119.08558	16.9
120.17932	2.4
121.06483	8.1
121.10115	13.7
123.08049	6.4
123.11630	4.3
125.09604	10.9
129.07024	2.4
131.08554	17.6
133.06419	2.6
133.10121	18.7
135.08041	6.0
135.11661	10.9
137.09639	3.1
139.11212	2.5
143.08553	4.6
145.10109	19.6
147.08052	3.3
147.11659	11.0
149.09599	24.1
154.06140	2.4
157.10153	4.2
159.11635	12.8
163.11145	24.1
169.10110	2.7
171.11707	3.3
173.13231	3.0
175.11148	2.5
177.12704	5.5
189.11209	12.4
198.26706	2.8
203.06810	2.6
205.12138	3.5
223.13264	37.7
239.17987	5.2
255.72336	2.4
257.19000	9.3
275.20020	55.1
293.21075	32.4
349.23605	15.4
367.24738	100.0
393.12302	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	547.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01863	4.7
55.05507	27.2
57.03420	4.9
57.07060	2.2
61.02908	3.4
67.05500	27.5
69.03418	4.6
69.07066	9.5
70.06581	2.4
71.04954	2.1
76.04859	1.9
79.05482	39.7
81.03366	3.6
81.07046	23.6
83.04965	5.6
83.08616	13.0
85.02877	5.3
91.05466	22.9
93.07032	19.9
95.04939	6.6
95.08578	14.3
97.02877	3.8
97.06513	3.9
97.10162	20.0
105.07022	29.9
107.04916	6.9
107.08577	72.4
108.08898	2.3
109.02859	2.2
109.06517	4.2
109.10138	12.2
111.04379	2.0
111.08029	2.8
114.60968	1.6
117.06985	6.4
119.08550	17.6
121.06526	2.7
121.10139	6.9
123.11617	2.0
125.09590	20.4
127.03986	1.6
129.06999	2.2
131.08566	9.8
133.10115	14.0
135.08022	3.8
135.11702	4.0
137.06012	2.9
143.08510	2.0
145.10094	19.6
147.11639	11.9
149.09616	11.4
151.61400	1.8
153.09137	1.9
155.08546	2.0
159.11653	5.2
161.09660	2.0
161.13277	2.3
163.11195	2.4
171.11694	4.3
173.11694	3.2
173.13150	2.6
177.12755	3.0
183.11732	2.0
187.11266	2.3
189.11203	19.3
197.13318	2.4
223.13165	2.1
227.12781	18.7
239.17937	5.5
245.13844	11.0
257.18961	19.9
275.20029	46.7
276.20404	2.3
293.21002	2.4
349.23679	100.0
350.24030	5.8
367.24979	4.1
437.61368	1.9
511.28601	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	547.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
54.72488	1.5
55.01852	5.2
55.05507	11.9
57.03424	7.0
61.02907	2.3
65.03926	2.5
67.05493	26.2
69.03461	2.7
69.07058	18.5
69.55036	3.3
69.55438	13.7
71.04991	3.7
79.05483	30.3
81.03415	3.1
81.07045	77.2
83.04967	3.6
83.08603	9.8
85.02906	5.1
85.06528	2.8
91.03944	2.2
91.05465	21.0
93.07036	18.7
95.04960	9.2
95.08583	17.3
97.02866	2.8
97.06510	8.8
97.10168	2.0
97.95422	1.7
99.08092	3.3
105.07014	23.3
107.04942	5.4
107.08586	17.1
109.06488	25.3
109.10152	8.8
111.08079	3.5
117.07011	5.4
119.08565	18.8
121.06493	4.7
121.10104	11.1
122.61798	1.7
123.08069	6.7
123.11681	4.6
125.09585	2.0
129.06990	3.1
131.08514	10.7
133.10097	11.0
135.08054	3.4
135.11696	4.1
137.09645	3.6
145.10095	8.9
147.11670	16.0
149.09592	5.0
149.13277	6.2
157.10124	2.5
159.11653	8.3
163.11183	6.5
165.12791	5.7
171.11696	3.1
173.09448	1.9
173.13293	3.9
175.11057	2.5
187.11208	1.9
247.20618	3.3
257.18924	5.5
261.70889	1.7
267.16028	2.0
275.20038	52.8
293.21066	13.6
349.23694	68.9
349.27997	3.3
367.24777	100.0
368.25189	2.8
482.69229	1.8
493.28043	2.5
529.29517	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	547.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.01863	11.2
55.05501	43.9
57.03416	19.4
59.39705	3.9
59.58867	4.2
61.02895	18.0
65.03941	5.6
67.05495	68.6
69.03403	13.9
69.07053	33.8
70.06581	9.2
71.04956	5.9
71.70326	8.6
73.02914	7.0
76.34620	4.1
79.05484	85.6
80.05765	4.8
81.03397	19.2
81.06608	5.6
81.07047	77.9
83.04961	9.4
83.08602	22.6
84.08076	4.9
85.02866	14.2
87.04427	5.5
91.03927	7.8
91.04922	5.7
91.05460	54.5
93.07040	60.3
95.04944	18.6
95.08603	35.9
97.02860	14.3
97.06487	15.4
97.10149	28.9
99.08086	4.9
103.03919	4.6
105.07014	46.5
107.04914	16.3
107.07912	7.7
107.08582	93.7
108.08836	6.5
109.02865	4.8
109.06502	13.4
109.10126	19.1
110.84007	4.0
111.04390	5.8
111.08073	8.3
117.06992	15.7
119.03435	4.4
119.08549	41.1
121.06427	6.8
121.10137	21.8
123.08038	7.0
123.11683	8.2
125.09620	23.0
125.93078	5.0
127.03878	8.8
129.07027	6.4
131.08524	16.9
133.10120	33.0
135.08017	10.7
135.11668	14.9
137.09593	7.5
143.08511	5.6
145.04921	4.5
145.06387	6.5
145.10104	33.7
147.11646	19.0
149.09592	14.6
149.13239	7.7
151.11154	6.9
157.10097	8.1
159.11732	22.6
161.13318	8.5
163.11163	12.0
171.11700	9.1
173.11755	7.7
173.13171	10.2
177.12697	13.1
179.14192	4.0
189.11157	12.6
195.13666	4.8
227.12685	19.0
229.14223	10.9
245.13736	11.9
255.15796	18.6
257.19000	26.3
269.17383	28.8
275.20026	77.9
293.21097	13.4
301.14453	8.5
349.23663	100.0
350.23923	15.6
367.24698	47.9
493.80145	4.1
510.26541	4.1
547.35431	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	547.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.6
55.05501	29.9
57.03419	4.6
59.08240	1.9
67.05497	20.1
69.07061	10.6
69.53100	22.2
70.06580	2.3
79.05477	39.6
81.03414	3.6
81.07031	22.1
83.04977	5.7
83.08587	12.3
85.02879	4.5
85.06542	2.1
91.05456	21.4
93.07023	20.7
95.04952	7.0
95.08620	11.8
97.06548	3.5
97.10150	16.8
105.07005	28.4
107.04932	10.0
107.08573	68.1
109.06487	2.7
109.10123	12.0
111.08093	3.1
117.06993	7.8
119.08559	16.9
121.10135	7.3
125.09620	16.8
129.06970	2.8
131.08539	10.8
133.10136	15.6
135.08023	3.0
135.11673	3.7
142.97192	2.2
143.08527	2.2
145.10094	17.1
147.11670	8.4
149.09601	7.9
159.11685	7.0
161.09625	2.8
161.13246	2.4
163.11064	2.5
171.11665	3.8
173.11789	3.0
175.53413	2.1
183.11533	2.8
189.11172	17.8
227.12695	20.7
239.17952	3.1
245.13826	9.6
257.18979	19.3
271.86325	2.3
275.20004	45.1
276.20288	2.6
293.20999	4.5
303.34344	2.0
349.23672	100.0
350.23920	4.4
367.24670	4.4
376.94446	2.2
415.95673	2.6
537.17023	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	547.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01873	9.3
55.05499	20.4
57.03419	8.2
57.07065	1.9
58.83889	1.8
61.02907	4.1
63.24286	1.5
66.15746	2.0
67.05496	41.0
69.03414	4.6
69.07060	21.0
70.67581	5.4
71.04979	5.7
72.15543	1.8
75.99090	1.8
79.05483	40.0
81.03397	5.4
81.07047	100.0
82.07404	1.7
83.04972	4.2
83.08610	15.0
85.02896	5.1
85.06509	3.5
91.03922	2.1
91.05467	33.6
93.07030	33.5
95.04954	14.4
95.08595	30.1
97.02896	5.0
97.06516	9.6
97.10150	3.5
99.04498	2.1
99.08129	2.0
104.59748	2.1
104.91183	2.0
105.07017	35.5
107.04933	9.4
107.08582	25.4
109.02857	2.4
109.06506	36.9
109.10131	11.6
111.08055	6.0
117.07003	8.0
118.98129	1.9
119.08573	26.7
119.35381	1.9
121.02776	1.7
121.06484	6.5
121.10138	18.4
123.04398	2.3
123.08025	10.3
123.11687	6.0
125.09637	3.6
127.03928	2.8
129.06981	4.6
131.08539	14.1
133.06456	2.2
133.10118	18.7
135.08023	6.3
135.11661	8.5
137.09613	3.5
143.08521	3.6
143.46855	2.0
145.06433	2.4
145.10141	14.3
147.11682	18.9
149.09625	11.9
149.13242	6.7
155.08542	1.8
157.10091	5.8
159.08025	1.6
159.11687	11.0
160.09750	1.7
161.09630	4.0
161.13228	4.6
162.77408	1.6
163.11188	12.9
165.12744	7.3
171.11696	3.6
173.13264	7.1
175.11162	4.8
175.14841	2.4
177.12730	4.3
179.14154	2.3
183.11731	3.7
185.13210	2.7
187.11165	2.8
191.14308	2.8
193.12222	5.1
229.07983	1.7
229.19496	2.7
247.20514	5.9
257.18903	5.2
275.20026	85.9
293.21161	13.0
346.14050	1.8
349.23688	89.1
350.23981	3.2
358.52090	2.9
358.56479	2.1
362.62073	2.1
367.24768	71.1
419.24310	2.6
547.24866	14.3
547.36420	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	547.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31179	1.0
63.78414	1.1
69.03428	1.4
70.35429	4.2
85.02892	2.0
94.93003	37.1
96.92804	3.1
97.02845	1.4
120.92682	1.1
122.92506	1.3
134.92537	1.4
136.94034	4.3
138.93648	3.2
152.93512	1.9
152.95181	2.0
162.67958	1.2
163.02701	1.4
166.01433	1.9
172.01463	2.2
176.93494	20.1
178.01431	2.3
180.93010	2.6
184.01360	2.2
188.93544	1.3
189.00731	1.4
190.91412	1.3
192.92996	1.8
192.94749	1.1
194.94603	1.6
195.52252	1.4
199.02126	1.1
204.75826	1.3
205.01996	2.9
205.03767	1.7
210.94043	2.1
214.02522	3.1
221.01524	1.8
222.94055	29.3
226.02560	1.6
234.94090	3.2
235.03044	1.5
244.03558	2.0
245.05127	2.0
246.95723	1.2
247.04976	4.3
248.93729	3.0
250.03648	1.6
250.93541	11.3
264.95169	2.7
280.94620	1.9
282.96143	5.6
295.05133	2.2
308.95776	18.2
322.97543	1.8
340.98483	63.4
367.09131	4.5
400.27997	1.5
402.46759	1.2
468.99396	1.7
529.01398	8.4
540.40442	1.2
547.02643	100.0
547.14008	4.5
548.02814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	2.5
53.03936	9.4
55.01864	6.7
55.05492	17.2
57.03413	6.7
57.67268	2.3
67.05177	4.1
67.05496	39.3
69.03421	6.8
69.07059	16.8
69.91595	12.3
79.05481	29.9
81.03406	14.7
81.07042	57.4
82.07379	3.2
83.04969	7.0
83.08602	11.8
85.02899	4.6
91.05457	31.1
93.07020	30.1
95.04948	9.8
95.08604	16.4
97.02898	7.7
97.06520	7.0
97.10153	3.9
99.04369	3.1
105.07018	34.1
107.04945	6.5
107.08553	18.2
109.02855	8.9
109.06484	16.6
109.10144	9.2
111.08067	2.7
117.06985	7.2
119.08553	23.9
121.06470	5.9
121.10130	9.1
123.08040	6.1
123.11678	4.5
127.03912	6.8
129.06975	5.9
131.08510	14.9
133.10118	25.8
135.08061	4.3
135.11671	7.7
143.08524	2.8
145.06389	3.4
145.10107	13.0
147.11681	15.9
149.09621	7.7
149.13290	3.0
151.11166	3.0
157.10110	3.6
159.08002	2.9
159.11691	4.7
161.09622	4.5
161.13254	5.2
161.92928	3.0
163.11107	5.1
165.12733	2.5
169.10158	3.5
171.11690	3.4
173.13203	3.0
175.11125	3.1
178.19522	2.2
179.14268	3.4
183.11575	2.7
189.12625	2.5
195.13728	3.0
251.29170	2.8
257.18872	2.7
274.18689	3.0
275.20038	43.0
276.20303	3.7
293.21295	3.5
349.23685	100.0
350.24020	3.1
367.25302	2.8
391.24646	4.4
475.26822	4.1
493.27802	4.6
511.29163	18.7
521.83850	2.4
538.85052	2.6
546.35114	10.2
561.25287	2.5
572.02606	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33994	2.9
55.01868	3.1
55.05493	11.3
55.96842	3.0
57.03418	6.6
59.56068	2.9
61.02909	3.2
67.05480	21.0
69.03434	6.9
69.07040	12.3
69.42172	32.6
70.06555	6.4
71.04971	4.5
79.05475	18.3
81.03390	6.9
81.07050	27.4
83.04974	8.2
83.08590	6.5
85.02896	8.7
91.05454	13.9
93.07052	20.1
95.04959	8.0
95.08600	15.6
97.02923	4.2
97.06550	4.3
97.10141	4.3
105.07022	21.3
107.04926	7.0
107.08583	14.1
109.06478	8.6
109.10137	5.8
111.37756	2.8
117.07004	7.6
119.08599	14.1
121.06480	9.6
121.10149	8.2
123.08040	5.8
127.03873	9.9
129.06984	4.1
131.08559	17.8
133.10103	14.9
134.10434	3.3
135.08038	3.4
135.11685	3.5
143.08661	3.4
145.10083	11.0
147.11664	8.9
149.09547	5.4
149.13242	4.5
157.10095	5.7
159.11687	5.4
163.11150	9.2
183.66608	3.4
247.20622	3.7
257.18973	9.4
275.20023	58.3
292.19907	4.9
293.21060	9.4
316.33673	2.9
349.19577	6.3
349.23669	100.0
367.24738	24.7
419.24142	10.2
437.25189	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.01851	8.3
55.02089	2.2
55.05505	44.9
57.03436	11.3
57.07069	4.9
58.92075	2.0
59.04984	3.3
65.03940	5.0
67.05499	84.2
69.03411	5.3
69.07063	25.3
70.31805	9.9
70.32203	5.3
71.04977	7.1
71.08614	4.7
79.05482	67.8
81.03409	26.9
81.07049	90.9
82.07384	3.1
83.04966	11.9
83.08612	25.7
85.02896	7.7
85.06514	6.3
91.05465	57.4
91.66821	2.1
93.07034	69.6
94.07422	2.4
95.04956	26.4
95.08597	48.0
97.06509	10.1
97.10161	18.2
99.08110	3.4
100.06646	2.2
105.07014	43.3
106.07356	2.5
107.04920	10.4
107.08576	39.8
109.06493	12.7
109.10143	34.3
111.08076	6.1
115.34158	2.3
117.06998	21.6
119.08569	38.2
121.06488	8.6
121.10123	26.7
123.08047	6.1
123.11706	9.5
125.09608	14.6
129.06982	12.4
131.08559	32.4
133.06512	4.3
133.10109	28.7
135.08023	5.0
135.11676	16.7
137.09653	3.3
143.08514	11.3
145.06497	3.1
145.10106	25.1
147.07970	2.9
147.11655	22.6
149.09628	6.3
149.13174	11.1
151.11194	5.3
155.08600	5.2
157.10127	10.4
159.08072	3.0
159.11676	18.7
161.09605	3.3
161.13246	8.7
163.11165	6.7
169.10146	6.3
171.11702	8.7
173.13261	8.5
175.11244	4.9
175.14857	5.9
177.12762	4.6
183.11737	5.1
185.13326	7.4
187.14781	5.6
189.11214	11.1
193.12192	14.0
195.11852	2.4
195.13736	2.9
197.13257	4.3
199.14830	5.5
209.13223	3.8
211.13374	8.5
213.16397	3.3
227.12759	10.7
253.14391	4.0
259.20667	4.5
261.22125	8.6
267.15784	15.9
273.18381	4.2
275.20175	5.3
276.20584	3.7
277.21472	4.3
283.20456	2.7
284.41467	3.0
285.22040	3.0
291.19452	2.7
301.25214	18.3
317.24753	2.7
335.25836	18.7
359.25528	3.6
435.32550	6.5
453.33548	13.8
471.34958	10.9
509.36124	2.6
527.37323	50.0
545.38281	100.0
546.38037	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	545.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	17.0
55.01868	11.4
55.05501	48.6
57.03437	30.8
61.02910	17.9
65.03919	6.6
67.05494	79.6
69.03410	26.0
69.07051	33.0
69.80912	36.2
71.05001	6.1
72.08158	5.5
72.30937	5.6
73.02895	10.7
79.05480	62.7
81.03401	51.1
81.07037	100.0
83.04967	18.5
83.08595	23.5
85.02872	27.5
87.54655	5.4
91.03914	7.5
91.05461	47.0
93.07028	49.3
95.04968	30.7
95.08587	35.5
97.02873	25.1
97.06510	9.4
97.10152	39.0
98.20680	8.2
99.08080	5.9
105.07014	55.8
107.04932	14.9
107.08581	34.8
109.02860	7.4
109.06502	19.1
109.10128	24.2
111.04439	7.6
111.08034	7.8
117.06991	21.6
119.08564	35.2
121.06484	7.5
121.10141	17.6
123.08061	25.4
123.11636	6.6
125.09624	26.8
126.89560	5.1
127.03920	13.2
129.05470	6.2
129.06989	13.9
131.08553	28.8
133.06485	12.0
133.10115	32.8
135.08038	15.2
135.11691	11.2
137.09621	7.4
143.08582	10.0
145.10103	21.1
147.08034	15.7
147.11732	8.7
149.08141	5.3
149.09570	16.9
151.11208	7.9
153.05276	6.1
154.92284	5.7
157.10110	14.1
159.11673	6.3
161.09602	12.0
163.11139	11.7
166.84264	6.2
171.11650	6.9
172.72151	5.2
175.11192	9.8
189.11230	18.9
193.12227	24.1
211.13277	21.7
223.13278	15.8
227.17999	7.0
245.13611	5.5
253.14417	6.3
273.18469	48.2
285.16919	23.3
291.19479	96.9
309.20322	6.7
347.22226	16.4
365.23108	99.0
383.24332	9.4
434.21588	6.2
527.28699	12.0
545.35443	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	545.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
54.52482	4.4
55.01849	17.3
55.05243	4.2
55.05503	77.3
57.03429	27.3
61.02926	22.6
67.05493	72.7
69.03413	25.0
69.07063	33.6
70.05715	12.7
70.06133	10.8
71.04975	6.5
73.02901	9.4
79.05480	64.8
81.03408	76.2
81.07040	80.9
83.04977	23.6
83.08608	45.2
85.02885	38.1
90.17142	4.2
91.03941	11.3
91.05458	47.4
93.07029	57.0
95.04953	36.6
95.08588	30.1
97.02866	34.8
97.06490	16.1
97.10159	46.3
99.04470	9.5
103.03894	5.7
104.69383	4.8
105.07015	34.0
107.04922	21.4
107.08595	32.2
109.02865	11.4
109.06482	16.0
109.10125	14.8
111.04411	8.9
111.08072	10.3
116.53935	4.2
117.06980	23.1
119.04896	3.7
119.08560	45.4
121.02873	4.9
121.06487	11.1
121.10101	20.1
123.04469	4.1
123.08041	35.2
123.11665	8.0
125.09620	34.7
127.03893	16.7
129.06978	12.1
131.08527	24.6
133.10107	24.2
135.08018	12.0
135.11649	14.3
137.09583	10.4
143.08519	10.0
145.10101	21.9
147.07979	11.4
147.11673	15.5
149.09590	10.4
153.09132	5.9
155.08534	4.5
157.10103	14.9
159.08002	4.7
159.11632	10.1
161.09549	6.9
163.11140	13.6
165.09067	11.8
171.11720	7.8
173.09651	9.2
175.11153	13.1
181.12331	5.3
185.13326	5.4
187.13303	5.1
189.11188	31.9
191.10596	9.6
193.12202	44.2
195.13637	5.2
211.13231	33.5
217.15863	4.6
223.13257	12.1
227.12715	21.9
235.16666	4.8
245.13921	9.6
249.14725	5.7
255.17305	6.1
265.14285	7.2
267.12634	4.0
267.15884	16.9
269.17499	7.7
273.18527	47.5
275.19986	7.2
283.15430	7.3
285.16962	39.4
291.19507	100.0
292.19717	4.3
347.21988	15.0
365.23181	81.0
383.24115	15.6
457.48407	4.4
524.86987	4.9
527.28442	9.9
545.35388	6.3
560.99249	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	545.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01855	9.1
55.05503	45.8
57.03425	17.9
59.04994	4.0
61.02917	25.3
67.05492	44.3
67.81392	2.8
69.03424	24.4
69.07062	32.2
70.03920	10.2
70.04353	4.2
71.04974	6.3
73.02897	7.9
79.05487	40.7
81.03406	54.2
81.07047	47.1
83.04965	15.4
83.08607	29.7
85.02885	33.8
88.81582	2.7
91.03949	11.1
91.05473	32.9
93.07030	28.9
95.04954	28.0
95.08576	20.1
97.02872	26.9
97.06544	6.1
97.10152	31.0
99.04430	3.3
101.02361	5.0
104.47435	2.4
105.07005	22.8
107.04949	8.4
107.08569	23.6
109.02870	8.3
109.06492	7.5
109.10114	13.2
111.04416	8.4
111.08061	9.4
117.07011	9.7
119.08567	28.0
121.06492	7.4
121.10133	12.2
123.08028	16.7
125.09608	25.4
127.03944	13.5
129.05444	3.3
129.07001	9.1
131.08553	17.8
133.06506	6.5
133.10114	11.1
135.08015	8.9
135.11664	6.0
137.09584	3.7
139.81223	2.5
143.08537	3.3
145.10130	7.8
147.08041	13.8
147.11656	11.4
149.09596	5.8
153.09087	4.3
157.10124	8.4
159.11644	5.1
161.09505	4.0
163.11174	8.9
165.09071	6.3
165.12790	3.6
171.11577	5.8
173.09637	3.0
175.11192	8.2
181.12199	3.1
183.06560	3.0
185.13235	4.1
187.13249	5.6
189.11169	20.3
193.12233	37.6
205.12242	2.9
211.13260	40.2
223.13184	17.1
227.12787	11.0
231.10211	2.9
245.13678	3.0
249.14911	3.2
263.94818	2.9
267.15857	9.8
273.18436	33.7
285.16910	34.7
291.19482	100.0
292.20029	3.2
347.22141	5.9
365.23135	63.3
383.24149	17.3
429.20972	5.0
527.28290	5.4
553.78699	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	545.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.2
55.05496	13.2
59.07629	2.8
67.05487	21.4
69.03400	4.6
69.07059	4.1
71.62897	7.3
73.02942	3.6
79.05490	32.7
81.03419	4.7
81.07047	81.7
83.04956	11.7
83.08607	5.0
85.02901	9.9
91.05460	15.0
93.07042	17.5
94.79830	3.2
95.04942	11.0
95.08583	12.2
97.10167	5.3
99.04445	4.4
102.80068	3.5
105.07021	12.5
107.08570	11.4
109.06503	29.9
109.10133	4.7
111.04449	17.6
111.08070	8.4
117.07004	9.1
119.08572	28.1
121.06503	8.0
121.10100	7.4
123.08077	9.1
125.09623	6.6
131.08543	5.7
132.99382	3.5
133.10118	4.9
135.08078	6.9
135.11690	6.5
137.09627	6.1
143.08495	6.2
145.10062	5.9
147.07999	8.3
149.09570	7.7
153.12709	8.2
157.10121	4.4
158.62036	3.7
159.07997	4.3
161.09631	5.6
163.11168	11.8
165.09140	5.1
181.12308	7.6
185.13232	4.7
191.10715	6.3
204.69627	3.6
216.41315	3.7
222.74010	4.0
227.12709	8.9
229.14203	4.3
249.14745	4.0
273.18439	26.4
283.15417	5.2
291.19510	100.0
306.47702	3.9
347.22180	11.5
361.99109	4.2
365.23151	62.2
436.19608	4.3
436.27286	3.9
459.89227	5.0
543.53943	3.7
551.54449	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	545.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.8
55.01849	9.6
55.05507	22.5
56.88541	4.0
57.03428	11.8
61.02898	6.6
67.05496	38.2
68.04163	3.9
69.03410	9.0
69.07053	11.6
70.06597	5.9
71.70332	6.2
76.73038	4.4
79.05481	42.3
81.03399	12.0
81.07038	94.1
83.04970	14.2
83.08615	15.6
85.02884	14.4
91.05464	21.9
93.07028	29.5
95.04953	14.0
95.08591	15.9
97.02888	10.0
97.06509	4.3
97.10155	13.4
105.06993	19.8
107.04940	12.3
107.08583	15.8
109.06503	34.0
109.10114	10.9
111.04438	14.3
111.08062	4.6
117.06985	14.2
119.08566	25.8
121.02837	5.7
121.06484	8.9
121.10123	11.2
123.07998	7.5
125.09657	7.9
127.03922	5.3
129.07021	11.7
131.08539	14.6
131.96742	3.6
133.06454	4.4
133.10091	8.7
135.08058	6.5
135.11694	8.1
143.08559	11.0
145.10083	18.0
147.08025	14.2
149.09660	5.4
155.08530	4.1
157.10123	5.3
159.11601	6.3
161.09584	8.3
163.11162	11.0
175.11131	6.4
181.12187	6.4
189.11282	8.7
223.13187	6.5
227.12779	9.9
245.18977	4.8
249.14983	5.4
273.18491	29.6
276.99512	4.9
283.15240	4.9
285.16953	4.2
291.19482	100.0
292.19785	4.3
327.04990	7.5
347.22119	12.5
355.04437	7.6
365.23148	37.9
383.24295	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.0
55.05497	13.2
57.03428	37.4
59.05010	2.6
61.02916	7.0
65.03934	4.6
67.05499	50.0
69.03421	6.2
69.07065	5.0
69.72861	10.3
69.73268	7.0
71.04983	5.6
73.10149	2.5
79.05483	28.6
81.03406	7.9
81.07051	28.1
83.04965	3.6
83.08608	7.0
84.08120	4.1
85.02904	8.9
85.06525	31.5
91.03933	2.8
91.05473	24.1
93.07043	24.0
95.04956	61.2
95.08591	15.3
97.02884	7.7
97.06516	4.8
97.84471	2.7
105.07018	20.8
107.04947	10.4
107.08591	20.0
109.06494	48.2
109.10130	8.7
110.26801	2.7
111.08088	6.2
112.02087	3.1
113.05191	4.1
113.05993	86.2
117.06989	10.2
119.08561	11.2
121.06506	6.7
121.10150	7.1
123.08048	6.2
124.90657	2.6
127.03879	5.0
129.06967	4.6
131.08527	16.5
133.10120	11.9
135.08022	43.0
135.11641	8.2
143.08533	8.9
145.10109	9.9
147.08057	6.9
147.11705	6.1
149.09642	4.2
157.10138	8.2
159.11671	6.3
161.09595	9.5
171.11621	6.8
173.13200	4.7
175.14911	3.2
177.12720	4.2
181.10234	2.9
184.15248	2.8
185.13197	3.1
188.11523	2.7
189.11247	3.8
199.14888	4.9
211.64815	2.6
217.15817	15.2
273.18457	31.4
291.19501	89.4
307.19003	3.5
317.37823	2.9
347.22119	8.5
365.23187	100.0
365.27808	4.8
366.23672	3.3
383.24713	3.5
414.62051	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	545.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.4
55.01855	15.5
55.05501	50.0
57.03424	45.9
59.01177	2.7
59.04993	3.0
61.02913	71.6
65.03948	2.9
66.60291	3.5
67.05497	62.2
69.03422	42.1
69.07055	45.9
69.48687	20.7
69.49129	10.0
71.01348	5.5
71.04984	21.5
73.02911	26.2
79.05477	65.1
81.03409	42.5
81.07040	93.9
83.04977	21.3
83.08596	26.5
85.02890	66.2
85.06527	7.0
91.03937	28.0
91.04915	4.7
91.05466	46.2
93.07032	53.3
95.04961	25.4
95.08595	37.1
96.92703	2.7
97.02877	52.0
97.06520	31.6
97.10153	37.4
99.04436	13.4
99.08086	37.6
101.02351	14.0
103.03934	5.6
104.57368	2.8
105.07006	33.5
107.04953	18.4
107.05564	3.3
107.08556	37.7
109.02845	13.5
109.06477	20.5
109.10124	17.2
110.47742	3.5
111.04391	13.8
111.08076	12.5
113.69464	3.0
115.03952	3.4
115.07518	23.7
117.07008	18.2
119.08561	34.7
121.06477	10.7
121.10100	23.5
121.38225	3.1
123.08050	33.9
123.11701	4.3
125.06020	3.7
125.09616	36.5
127.03873	21.1
127.07531	15.0
128.06210	3.8
129.06984	9.4
131.08569	22.6
133.06474	7.6
133.10138	18.3
135.08035	17.7
135.11617	16.4
137.09581	8.1
139.11188	3.4
143.08530	7.8
143.10678	4.0
145.04982	6.8
145.06453	7.6
145.10097	26.7
147.08046	12.2
147.11658	13.5
149.09595	11.7
149.13268	7.5
153.09036	7.5
153.12718	9.0
155.08577	5.6
157.10089	9.3
159.11636	9.0
161.09595	10.2
161.13249	3.6
163.11162	29.0
165.09096	7.1
169.10094	3.3
170.13515	2.9
171.11607	5.2
173.09627	9.0
173.13176	5.1
175.11218	8.5
175.14841	3.7
177.12733	3.6
179.10600	4.8
181.12189	12.8
183.06467	7.2
189.11194	50.2
189.12729	5.2
191.10609	13.0
193.12227	7.0
197.13617	3.1
199.11215	2.9
201.07376	4.1
213.12703	3.4
217.15872	4.3
220.82463	3.7
227.12685	24.5
227.17978	4.0
233.15292	3.5
245.19057	8.5
255.17386	12.0
263.20016	9.2
269.17343	5.0
273.18445	60.3
291.19467	100.0
291.58658	3.1
309.20557	10.5
347.22150	10.8
365.23218	31.2
365.63763	3.6
383.24225	75.4
384.24292	5.8
425.12628	4.2
441.00500	3.3
545.29108	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	545.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01852	12.1
55.05497	14.3
57.03430	35.8
61.02904	7.9
65.03925	3.5
66.01742	2.6
67.05492	48.9
69.03406	8.4
69.07044	11.0
70.06571	8.3
70.81602	9.1
71.04977	8.8
72.08128	3.3
73.02898	3.4
79.05482	31.8
81.03417	10.1
81.07045	31.2
83.04969	6.1
83.08591	4.4
84.08130	3.5
85.02901	13.4
85.06522	25.0
85.07639	3.9
86.09691	3.5
87.96291	2.7
91.03934	4.3
91.05457	31.8
93.07028	21.0
95.04957	61.0
95.08593	17.1
97.02877	6.5
97.06510	8.1
100.14392	2.6
105.07005	21.3
107.04932	9.0
107.08576	20.7
107.22624	2.8
109.06498	56.5
109.10141	8.0
113.05984	78.1
117.06990	10.1
119.08557	10.5
119.87221	2.6
121.02836	5.7
121.06473	6.8
121.10136	7.2
123.08026	7.0
128.06242	3.8
129.06993	11.4
129.10292	3.7
131.08553	17.5
133.06505	3.2
133.10107	10.1
135.04402	4.3
135.08015	40.6
135.11688	8.4
137.02354	4.8
137.06001	4.2
143.08549	10.1
145.10086	13.7
147.08025	3.8
147.11681	5.4
149.09584	9.3
151.11246	2.8
157.10103	7.3
159.11617	6.3
161.09613	10.8
163.11177	5.7
171.11667	5.6
175.11208	5.5
177.12854	2.7
183.11641	4.1
199.14804	3.8
217.15880	13.9
233.15311	5.2
245.18849	3.4
255.52422	3.1
269.04388	6.1
273.18475	32.9
285.03659	3.6
291.19467	86.3
298.04565	4.3
299.05362	15.9
300.06036	5.3
328.05710	3.8
347.22159	10.8
365.23163	100.0
383.24481	4.1
395.11197	12.2
425.12509	14.6
449.12305	8.1
478.78436	2.9
491.13586	3.8
509.14621	6.0
527.15228	9.7
545.16608	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	0.9
53.03944	3.5
54.57244	0.6
55.01869	4.9
55.05502	16.8
57.03418	4.4
57.07038	1.6
59.04977	0.7
65.03922	3.1
67.05493	43.0
69.03383	1.9
69.06699	0.8
69.07052	14.5
71.04977	3.1
71.71594	0.7
73.02886	1.1
79.05477	51.0
81.03391	3.3
81.07043	39.8
83.04964	5.3
83.08170	0.7
83.08600	9.7
85.06504	1.6
91.05463	25.4
93.07025	61.4
95.04404	1.0
95.04951	11.4
95.08587	48.5
97.02863	3.9
97.06512	5.1
97.10128	2.1
99.04401	2.6
99.08051	1.2
103.05447	1.1
105.04482	1.3
105.06342	1.2
105.07009	20.6
107.04250	0.6
107.04932	8.6
107.08573	41.0
109.06512	4.1
109.10136	7.7
111.04404	1.2
111.08044	2.4
115.05396	1.0
117.07005	12.4
119.07738	1.0
119.08558	19.1
121.02805	1.1
121.06470	4.7
121.10117	19.7
123.08029	0.7
123.11681	1.6
125.05953	2.5
125.09557	1.4
128.06161	0.9
129.06950	2.2
130.07726	2.2
131.08548	8.1
133.10103	9.8
135.08023	2.0
135.11667	49.3
139.07513	1.1
139.11201	0.7
141.06938	0.7
143.08536	1.9
145.06375	0.8
145.10095	29.0
147.11682	3.8
149.09666	1.6
149.13220	4.2
155.08464	1.3
157.10089	1.9
159.11697	4.3
161.13249	2.4
163.11156	52.0
165.12624	0.7
165.36266	0.6
169.10117	0.7
171.11630	1.4
173.13239	3.1
181.12192	10.9
183.11649	1.2
187.14786	1.5
201.12794	0.6
201.16504	0.7
209.11662	1.8
227.12740	100.0
228.13034	1.3
243.21077	1.4
257.18924	0.8
261.22107	6.0
275.20010	6.7
299.23575	0.9
317.24896	2.2
433.30701	0.8
451.32080	2.0
469.33163	1.6
525.35846	1.9
543.36749	57.9
544.36749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52599	0.9
53.03929	4.5
55.01859	5.9
55.05502	17.5
57.03413	4.8
57.07051	1.6
60.69731	0.9
65.03918	3.2
67.05139	2.2
67.05493	40.8
69.03406	1.2
69.07057	18.4
71.04971	3.5
79.05480	49.6
81.03397	4.0
81.07042	100.0
82.07375	1.3
83.04962	6.0
83.08607	12.3
85.06522	3.9
91.05465	32.4
93.07028	36.4
95.04935	9.0
95.07996	1.9
95.08588	23.8
97.06526	8.7
97.10153	3.3
99.08073	1.6
103.05463	1.6
105.06335	1.9
105.07011	29.0
107.04921	7.4
107.08570	23.2
107.09245	2.0
109.06496	28.6
109.07207	2.2
109.10168	6.7
111.08069	4.2
115.05402	1.5
117.07008	10.4
119.08562	24.1
121.06483	3.2
121.10123	17.0
123.08035	3.5
123.11678	4.1
125.09635	1.5
129.06969	3.8
130.07755	1.0
131.08533	15.8
133.06450	1.8
133.10114	16.6
135.08011	4.6
135.11678	7.1
137.09589	2.3
139.11296	1.2
141.07008	1.1
143.08565	3.7
145.06544	1.3
145.10104	12.9
147.08017	2.5
147.11678	10.0
149.09604	4.5
149.13235	15.3
151.07590	1.1
151.11119	1.4
155.08546	2.7
157.10133	4.0
159.08102	1.8
159.11652	13.1
161.09557	1.3
161.13225	3.0
163.11157	4.2
163.14825	4.2
165.12711	2.4
169.10088	2.8
171.11687	3.7
173.09555	1.7
173.13194	5.7
175.11194	3.1
177.12790	3.0
179.14249	2.6
181.10130	1.1
183.11670	3.0
185.13147	2.5
187.14781	2.7
191.14345	1.5
193.12263	3.3
195.11786	1.0
195.13765	2.1
197.13222	2.3
203.14230	1.3
215.17914	1.3
219.17339	1.1
221.15439	1.1
223.13171	1.0
227.12730	1.3
229.19446	5.3
239.17880	1.9
247.20612	6.5
251.16600	1.4
257.19006	4.3
259.20746	1.5
265.16357	1.2
267.16016	1.1
269.17184	1.2
275.20026	65.7
293.21033	7.0
294.09052	1.0
297.97867	1.1
299.20175	1.1
299.23853	1.2
349.23804	2.5
423.32556	1.2
433.30875	2.9
451.31970	4.4
452.03580	1.1
469.33185	4.3
507.24661	1.3
525.35834	7.7
543.36719	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01866	9.1
55.05504	25.0
57.03429	21.0
57.07061	2.3
58.97009	1.5
59.04989	4.2
61.02914	43.7
63.17518	1.5
65.03922	3.7
67.05132	3.3
67.05492	55.7
69.03416	26.0
69.07057	26.9
69.40762	17.3
71.01335	5.0
71.04980	46.4
73.02894	21.1
74.07643	1.7
77.74302	1.4
79.03739	1.6
79.05479	54.8
81.03405	21.8
81.07041	100.0
83.04948	7.7
83.08599	17.1
85.02890	44.0
85.06524	5.6
87.04463	1.9
88.36651	1.4
91.03936	21.9
91.05458	47.1
93.07026	48.6
93.07582	3.0
94.77557	1.4
95.04938	14.1
95.08587	36.1
97.02873	34.0
97.06520	11.3
97.10156	6.8
99.04444	11.0
99.08085	6.7
99.92880	1.6
101.02360	8.2
103.03920	5.4
105.07014	46.3
107.04963	11.2
107.08570	33.2
109.02853	8.4
109.06489	23.8
109.10122	14.1
111.04423	15.1
111.08050	5.3
113.09650	9.5
115.03947	2.3
115.05486	2.7
117.07001	15.4
119.08558	34.7
121.02898	2.7
121.06500	9.2
121.10096	19.8
123.08054	13.3
123.11694	5.6
125.09653	8.0
127.03896	19.2
128.06178	2.3
129.06981	7.1
131.08546	26.3
131.09465	2.7
133.10107	26.2
135.08051	10.5
135.11653	11.1
137.09615	6.2
143.08551	7.6
145.04959	4.0
145.06503	3.2
145.10098	21.1
147.08055	4.2
147.11667	25.6
149.09604	19.8
149.13200	11.5
151.11142	5.2
155.08502	3.3
157.10117	9.5
159.08029	2.1
159.11661	18.4
161.09657	2.6
161.13144	8.6
163.11113	13.7
163.14835	1.7
165.12698	9.1
167.10692	2.1
169.10069	3.9
171.11656	6.1
173.09700	1.8
173.13242	7.1
175.11185	3.8
175.14737	2.8
177.12711	4.2
183.06544	6.3
183.11714	4.4
185.13182	3.9
187.11246	2.8
187.14755	2.7
189.11142	1.9
189.12679	3.1
193.12231	3.4
197.13205	4.2
201.07491	2.7
201.12785	2.1
201.16443	2.0
205.12326	2.0
205.15768	1.9
229.19499	4.7
233.15297	2.2
239.17957	4.0
247.20616	7.4
257.19006	14.1
275.20010	99.1
279.23181	1.9
289.21802	2.3
293.21170	9.6
297.26352	1.5
307.22601	33.9
349.23697	14.2
363.25079	3.1
381.26303	34.3
391.24631	3.8
409.25900	2.8
431.14490	1.6
433.30826	2.9
451.32245	2.7
469.33398	2.6
511.28522	3.1
525.29089	2.1
525.36047	4.0
543.37030	31.8
552.58423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	10.8
55.01852	10.8
55.05499	30.0
57.03428	38.5
59.04980	6.0
61.02913	42.0
65.03915	10.1
67.05492	68.2
69.03419	42.5
69.07056	34.7
70.06565	4.4
71.04977	43.7
71.70858	4.2
73.02908	23.2
73.06526	4.7
79.05479	71.9
79.06377	3.1
81.03403	44.1
81.07035	65.4
83.04964	19.8
83.08599	11.4
85.02892	50.7
85.06520	11.5
87.04449	9.7
91.03928	24.2
91.04912	5.7
91.05462	69.4
93.03374	3.4
93.07024	64.2
95.04958	26.3
95.08591	45.3
97.02872	40.6
97.06513	39.6
97.10139	8.4
99.04442	9.9
99.08056	3.2
99.46032	2.8
101.02338	8.1
103.03896	5.4
103.05521	3.4
105.07012	68.5
107.04942	17.4
107.08566	44.8
109.02875	18.3
109.06490	29.1
109.10151	23.3
111.04389	7.3
111.08060	12.1
113.05986	6.0
115.05414	6.0
117.07007	29.9
119.08564	54.9
121.02848	88.5
121.03800	5.2
121.06473	16.0
121.10134	32.2
123.04416	3.6
123.08076	19.1
125.05975	10.7
125.09608	7.4
127.03895	20.1
129.05481	5.6
129.06999	15.0
130.07710	3.6
131.08542	44.9
133.06467	11.0
133.10115	40.2
135.08018	23.7
135.11687	15.0
137.05954	4.9
137.09596	13.0
139.07440	3.7
139.11148	9.3
141.07004	3.6
143.08531	13.4
145.04927	4.6
145.06461	5.0
145.10083	42.4
146.07143	4.3
147.07950	5.6
147.11671	20.5
149.09608	26.8
149.13235	4.7
151.07579	3.2
151.11124	11.9
155.08542	6.1
157.06480	3.4
157.10091	13.4
159.08043	13.3
159.11662	21.8
161.05994	3.7
161.09596	5.7
161.13263	7.1
163.07596	4.1
163.11157	17.5
165.07030	3.7
165.12694	5.6
167.10687	4.6
169.10077	9.7
171.11644	11.9
173.09599	9.8
173.13245	8.3
175.11032	5.7
177.09151	5.3
177.12708	6.4
179.10677	4.6
183.11629	5.4
185.09534	3.1
187.11183	7.7
187.14838	5.9
189.12680	5.6
191.10622	6.7
191.14201	4.5
193.12141	4.0
197.13194	7.8
199.14886	3.3
201.12669	4.3
203.12691	5.0
205.12234	5.5
207.13785	4.1
211.03876	3.3
211.13120	4.1
215.14226	3.3
215.17813	3.7
221.15602	4.3
229.04805	4.3
229.19554	4.6
232.30293	3.0
232.80078	3.4
233.15399	17.7
235.06950	2.8
239.17906	10.1
247.20451	6.4
249.14662	4.7
251.12750	3.8
253.16034	3.2
257.04391	21.3
257.18961	20.1
261.18475	4.9
267.15729	4.0
269.13620	4.2
271.16898	10.5
273.03915	21.5
275.20013	100.0
275.23010	5.4
276.20422	3.2
276.45746	3.6
285.03900	44.6
286.04221	3.5
289.17941	30.7
289.20999	5.3
293.21002	6.5
295.17096	3.2
299.05402	8.3
303.04898	29.9
307.18964	11.9
307.22690	14.1
327.04922	11.0
331.22687	7.3
335.88150	3.2
345.20383	4.4
349.23657	48.1
351.05029	4.3
363.21573	16.8
363.25391	9.3
369.05966	15.8
381.21912	21.3
381.26651	49.1
405.08322	5.3
429.73825	3.7
525.26514	3.9
543.20605	3.3
543.29980	20.2
547.62585	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	543.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	10.8
55.01852	10.8
55.05499	30.0
57.03428	38.5
59.04980	6.0
61.02913	42.0
65.03915	10.1
67.05492	68.2
69.03419	42.5
69.07056	34.7
70.06565	4.4
71.04977	43.7
71.70858	4.2
73.02908	23.2
73.06526	4.7
79.05479	71.9
79.06377	3.1
81.03403	44.1
81.07035	65.4
83.04964	19.8
83.08599	11.4
85.02892	50.7
85.06520	11.5
87.04449	9.7
91.03928	24.2
91.04912	5.7
91.05462	69.4
93.03374	3.4
93.07024	64.2
95.04958	26.3
95.08591	45.3
97.02872	40.6
97.06513	39.6
97.10139	8.4
99.04442	9.9
99.08056	3.2
99.46032	2.8
101.02338	8.1
103.03896	5.4
103.05521	3.4
105.07012	68.5
107.04942	17.4
107.08566	44.8
109.02875	18.3
109.06490	29.1
109.10151	23.3
111.04389	7.3
111.08060	12.1
113.05986	6.0
115.05414	6.0
117.07007	29.9
119.08564	54.9
121.02848	88.5
121.03800	5.2
121.06473	16.0
121.10134	32.2
123.04416	3.6
123.08076	19.1
125.05975	10.7
125.09608	7.4
127.03895	20.1
129.05481	5.6
129.06999	15.0
130.07710	3.6
131.08542	44.9
133.06467	11.0
133.10115	40.2
135.08018	23.7
135.11687	15.0
137.05954	4.9
137.09596	13.0
139.07440	3.7
139.11148	9.3
141.07004	3.6
143.08531	13.4
145.04927	4.6
145.06461	5.0
145.10083	42.4
146.07143	4.3
147.07950	5.6
147.11671	20.5
149.09608	26.8
149.13235	4.7
151.07579	3.2
151.11124	11.9
155.08542	6.1
157.06480	3.4
157.10091	13.4
159.08043	13.3
159.11662	21.8
161.05994	3.7
161.09596	5.7
161.13263	7.1
163.07596	4.1
163.11157	17.5
165.07030	3.7
165.12694	5.6
167.10687	4.6
169.10077	9.7
171.11644	11.9
173.09599	9.8
173.13245	8.3
175.11032	5.7
177.09151	5.3
177.12708	6.4
179.10677	4.6
183.11629	5.4
185.09534	3.1
187.11183	7.7
187.14838	5.9
189.12680	5.6
191.10622	6.7
191.14201	4.5
193.12141	4.0
197.13194	7.8
199.14886	3.3
201.12669	4.3
203.12691	5.0
205.12234	5.5
207.13785	4.1
211.03876	3.3
211.13120	4.1
215.14226	3.3
215.17813	3.7
221.15602	4.3
229.04805	4.3
229.19554	4.6
232.30293	3.0
232.80078	3.4
233.15399	17.7
235.06950	2.8
239.17906	10.1
247.20451	6.4
249.14662	4.7
251.12750	3.8
253.16034	3.2
257.04391	21.3
257.18961	20.1
261.18475	4.9
267.15729	4.0
269.13620	4.2
271.16898	10.5
273.03915	21.5
275.20013	100.0
275.23010	5.4
276.20422	3.2
276.45746	3.6
285.03900	44.6
286.04221	3.5
289.17941	30.7
289.20999	5.3
293.21002	6.5
295.17096	3.2
299.05402	8.3
303.04898	29.9
307.18964	11.9
307.22690	14.1
327.04922	11.0
331.22687	7.3
335.88150	3.2
345.20383	4.4
349.23657	48.1
351.05029	4.3
363.21573	16.8
363.25391	9.3
369.05966	15.8
381.21912	21.3
381.26651	49.1
405.08322	5.3
429.73825	3.7
525.26514	3.9
543.20605	3.3
543.29980	20.2
547.62585	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	543.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01860	5.4
55.05505	17.1
57.03426	12.0
61.02908	10.5
65.03944	3.1
67.05494	23.1
69.03423	6.7
69.07054	6.2
70.06596	1.7
71.04987	2.7
73.02914	4.4
73.42035	1.3
79.05477	20.3
81.03401	9.5
81.07042	26.5
83.04969	27.5
83.08611	8.1
85.02913	6.9
85.06518	2.3
91.03937	8.3
91.05463	21.4
93.07023	15.1
95.01294	2.9
95.04955	8.0
95.08587	11.4
97.02869	7.6
97.06534	4.3
97.10183	1.5
99.04438	14.7
105.03413	2.2
105.06997	13.0
107.04927	9.2
107.08578	12.7
109.02867	3.1
109.06495	9.0
109.10127	6.5
111.04414	7.0
111.08021	2.1
113.06012	1.8
117.07014	8.1
119.04948	1.8
119.08563	10.7
121.02050	2.4
121.02858	32.1
121.06505	6.4
121.10114	6.4
123.04444	2.6
123.08091	3.2
125.05980	13.4
125.09624	2.7
127.03905	3.9
127.11161	1.7
129.07024	3.5
131.04893	1.5
131.08560	9.6
133.06456	4.4
133.10095	8.1
135.04419	2.0
135.08044	6.8
135.11665	2.9
137.05962	5.6
137.09621	3.3
138.06331	1.4
141.07016	2.9
143.08545	4.1
145.05008	1.2
145.06474	4.4
145.10124	8.1
147.08023	6.2
147.11687	3.1
149.06003	3.5
149.09575	4.0
149.13255	2.4
151.07527	10.1
155.08603	2.8
157.10117	3.7
159.08058	4.7
159.11661	5.3
161.09593	5.0
161.13177	1.8
163.07526	5.2
163.11194	6.8
165.09190	1.5
165.12730	2.6
169.10097	3.0
171.11708	2.6
173.09578	4.9
175.11101	1.9
177.09100	1.4
177.12762	4.6
187.11162	2.7
187.14760	2.2
189.09302	1.9
189.11137	1.9
189.12776	2.5
191.10684	1.9
199.11234	2.2
205.15929	3.7
215.14244	2.0
217.12245	3.0
219.10101	1.8
233.15311	11.4
243.17468	3.0
257.04422	6.3
261.03952	1.6
261.11072	1.7
261.18402	10.2
271.16928	8.4
273.03934	3.7
275.20169	1.9
284.84067	1.5
285.03900	15.1
289.10992	3.4
289.17938	76.7
303.04892	4.3
307.11627	3.0
307.18961	12.3
327.05106	2.7
345.20953	1.8
363.21603	100.0
381.22534	4.4
415.20810	1.8
433.22244	3.0
451.23349	3.0
455.12210	1.6
507.26471	1.5
525.26727	7.5
543.19684	1.6
543.28210	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08026	0.7
70.20788	3.0
103.12953	0.6
105.13454	0.6
129.88924	0.6
160.01292	1.0
161.02914	0.7
241.19519	0.7
245.05176	0.9
347.81268	0.6
363.06952	1.9
381.07880	17.2
476.63315	0.7
543.13159	100.0
544.13684	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	543.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.8
55.01864	21.2
55.05498	26.0
57.03427	55.6
59.04988	3.0
61.02919	66.7
65.03912	6.5
66.77933	2.9
67.05139	4.6
67.05492	88.7
69.03421	35.8
69.07054	19.7
71.01322	7.5
71.04974	7.9
71.44617	4.3
73.02905	23.5
79.05480	70.6
81.03402	40.2
81.06603	5.3
81.07043	62.4
83.01309	3.9
83.04970	36.2
83.08604	8.2
83.71487	3.0
85.02900	51.2
85.06522	8.9
89.75405	2.5
90.11007	3.2
91.03933	26.8
91.04913	5.4
91.05463	66.3
93.07026	56.4
95.04954	86.8
95.08590	42.0
95.24160	2.8
96.05745	3.7
97.02247	3.5
97.02872	50.1
97.06503	11.5
97.10133	4.6
98.07263	3.5
99.04427	11.1
101.02354	7.9
103.05474	3.6
105.03353	2.7
105.07010	56.5
106.07758	3.4
107.04936	100.0
107.08566	28.5
108.05723	6.4
109.02861	12.6
109.06490	36.4
109.10153	16.7
111.04435	13.6
111.08073	8.0
112.05200	7.7
113.05987	16.2
115.03932	3.7
115.05428	7.9
117.06992	35.3
119.04916	9.8
119.08558	35.0
121.02857	16.4
121.06483	25.0
121.10145	16.3
122.07272	29.6
123.04412	12.9
123.08046	10.5
125.05920	4.8
127.03894	20.4
128.06203	7.6
129.05428	7.7
129.06973	14.0
130.07820	4.2
131.04951	2.9
131.08536	28.0
132.05693	4.5
133.06464	32.5
133.10121	18.9
135.04353	4.5
135.08026	25.7
135.11679	15.7
137.09612	6.1
141.06934	8.8
143.08537	17.8
145.04903	7.0
145.06483	19.9
145.10115	24.7
147.08026	41.4
147.11681	9.8
149.02309	9.1
149.05974	3.1
149.09576	11.5
149.13223	4.8
151.07538	5.9
151.11142	4.9
155.08536	7.2
157.10112	7.8
159.08055	8.7
159.10396	2.8
159.11655	10.0
161.09618	28.7
161.13229	4.7
162.10440	4.9
163.07524	3.5
163.11156	12.3
165.09081	9.6
169.10086	7.0
171.11606	9.3
173.06209	3.0
173.09520	4.0
173.13190	10.6
175.11151	8.1
177.12721	5.4
179.14403	3.3
181.10161	2.8
185.13202	3.7
187.11139	8.2
187.14813	6.9
189.12833	3.9
197.13272	6.2
199.11131	3.6
203.14291	6.9
205.15834	8.4
215.14290	9.4
233.15329	35.9
251.16371	10.3
257.04483	3.8
261.14871	8.7
273.18353	20.8
279.15485	2.8
285.03934	8.8
289.17975	7.0
290.18716	22.4
291.19519	8.1
307.19037	17.8
335.18481	29.3
347.22238	3.7
381.22641	43.5
443.21207	3.2
447.52097	3.2
469.23849	3.4
497.23584	4.8
525.26910	3.4
543.28058	6.2
543.36835	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	543.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
57.03430	0.4
61.02923	0.3
65.03923	2.7
67.05464	0.2
69.03419	1.7
69.90941	1.2
70.06573	0.4
74.06069	0.2
75.63393	0.2
76.11416	0.2
79.94246	0.2
81.03394	0.4
84.08096	0.3
85.02876	0.9
91.05464	0.2
92.61622	0.2
93.03394	0.7
93.07018	0.2
97.02853	0.5
98.03622	0.2
103.03933	0.8
105.03375	0.5
107.01296	0.4
111.04408	1.0
120.04461	0.2
121.02843	58.6
122.03124	0.3
127.03891	1.8
139.03865	3.2
145.06520	0.3
153.01788	0.3
155.04848	1.1
171.04358	0.2
173.06010	0.2
183.04456	1.1
187.03862	0.4
201.05464	1.3
203.03418	0.2
205.05035	0.4
211.03853	5.4
217.04868	0.4
219.02812	1.0
225.05420	0.8
229.04929	5.1
229.07196	0.3
231.06526	0.3
237.03773	0.4
239.03294	0.7
241.04836	0.3
243.02881	0.4
243.06361	0.2
245.04457	0.5
253.04948	0.4
256.03625	1.0
257.04401	45.0
258.04782	0.8
259.06055	0.3
260.03122	3.6
261.03873	3.3
263.01880	0.5
267.02829	2.5
269.04468	0.2
271.05930	1.9
273.03879	24.2
274.04633	4.5
275.05426	0.4
281.04465	0.6
283.05493	0.3
283.08142	3.8
285.03888	66.8
286.04202	1.4
287.01974	0.5
287.05331	0.5
295.05948	0.6
297.03821	1.7
298.04620	0.3
299.01825	0.6
299.05389	4.8
301.03427	0.6
303.04932	100.0
304.05243	2.4
311.05359	0.7
313.03607	0.3
313.06989	1.2
315.04953	0.4
315.22937	0.2
323.05490	0.7
327.04935	7.7
339.04929	2.6
351.04883	1.6
357.05994	2.6
369.05991	3.5
370.62747	0.2
387.07095	4.0
405.08121	6.6
423.06973	6.9
543.11243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1124
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
57.10142	0.4
58.66938	0.4
65.03932	4.1
69.03414	0.7
70.02512	2.4
77.32848	0.4
98.21370	0.5
109.02868	0.5
111.04435	2.9
121.02847	100.0
122.03148	0.6
153.01761	0.5
155.04884	0.9
183.04401	0.6
183.16214	0.4
201.05597	0.8
211.03853	3.3
219.03006	0.6
229.05026	2.5
256.03775	0.7
257.04422	20.6
258.04990	0.4
260.03088	0.4
261.03952	2.6
267.02707	0.7
271.06006	1.5
273.03900	11.6
274.04620	1.2
283.08057	4.9
285.03897	67.2
286.04135	1.5
295.99481	0.4
299.02390	0.6
299.05408	3.4
303.04953	20.0
323.05627	0.4
327.04922	7.1
339.05045	2.0
351.04791	1.4
357.05994	1.6
369.06006	5.3
387.07071	3.6
405.08044	4.5
423.06924	3.4
497.13773	0.6
525.10004	0.6
528.25922	0.4
543.11182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01847	1.5
57.03415	0.7
65.03930	3.0
67.05479	0.7
69.03414	0.8
69.47391	1.9
69.47810	3.7
70.06561	2.7
71.04974	1.1
72.08139	0.8
75.04482	0.9
76.85306	0.6
78.03435	1.7
78.04684	0.6
79.05476	6.3
81.03412	0.9
81.07024	1.2
84.08113	0.9
85.02888	3.3
86.09705	1.4
91.05456	5.7
93.03384	2.6
93.07024	1.7
94.04160	0.7
95.04935	2.4
97.94558	0.6
98.21434	1.2
103.05446	6.4
105.03384	0.7
105.04471	0.8
105.07008	19.9
106.02907	6.6
106.04134	4.0
107.04968	3.1
107.08585	0.9
108.05708	1.2
109.06484	1.2
111.04417	1.9
115.05389	1.4
117.06950	0.7
118.04128	7.2
119.04956	3.1
120.04434	2.3
120.05680	0.8
121.02844	60.8
121.06475	7.0
122.03671	0.9
122.07263	0.9
123.04419	1.4
123.08012	2.3
124.03933	7.2
124.05224	1.2
125.05965	2.2
129.10106	0.8
131.04916	3.1
132.05693	0.9
133.06468	20.7
134.07219	0.6
135.04387	2.5
135.08037	3.2
135.75159	0.6
137.05965	6.3
139.07451	1.0
146.03616	1.4
147.04436	1.4
147.08044	0.6
148.05133	2.2
149.05959	11.2
150.06732	13.1
151.07484	4.5
153.05464	0.9
153.09061	2.2
153.12740	0.8
159.04422	0.6
161.05984	3.4
162.01286	0.7
163.03816	1.5
163.07541	1.4
165.09085	13.8
167.07004	14.4
175.71486	0.6
177.05450	7.0
178.06183	0.9
179.06996	2.8
181.08575	5.0
191.07002	1.6
193.08572	58.6
194.08905	0.7
209.08049	34.8
210.08527	1.0
211.03963	1.8
211.09613	100.0
212.09912	1.4
223.04211	9.2
229.04881	1.5
243.02768	1.0
257.04398	13.6
261.03876	1.1
267.02841	0.7
273.03885	6.6
283.08112	2.1
285.03888	33.6
288.19647	0.8
299.02182	0.7
299.05481	2.0
303.04932	11.8
303.08179	0.6
312.08969	1.2
313.06931	0.7
323.05093	0.7
325.03409	0.8
327.04742	3.2
339.04892	1.2
342.03467	1.2
351.04736	0.9
357.05878	0.6
369.05984	3.0
371.14850	1.1
377.01724	0.7
380.24231	1.8
387.06927	1.6
403.17645	1.2
405.08041	2.1
414.88153	0.6
422.05145	1.5
423.07605	1.8
542.29187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01849	2.8
57.03411	1.7
58.31000	0.7
63.96086	0.6
65.03934	2.9
67.05481	0.6
69.03414	0.9
70.06570	2.7
70.88457	1.6
70.88814	0.9
71.04966	1.8
75.04436	0.9
75.81892	0.6
78.03421	2.1
79.05469	4.5
81.07038	0.7
84.08087	0.8
85.02882	2.5
86.09704	1.2
91.05462	7.4
93.03399	3.1
93.07014	2.3
95.04947	1.9
96.04441	0.7
97.06558	0.8
103.05445	6.1
105.06343	1.0
105.07015	18.3
106.02892	6.7
106.04140	4.6
107.04964	5.5
107.08560	0.9
108.05714	1.0
109.06504	1.7
109.10122	0.7
110.62693	0.6
111.04417	2.9
114.05664	0.6
115.05437	1.4
117.06983	0.7
118.04147	6.3
119.04929	3.9
119.08533	0.8
120.04430	1.1
120.05704	1.6
121.02847	51.9
121.06488	8.0
122.07219	1.5
123.04443	0.9
123.08040	2.3
124.03936	7.4
124.05206	1.6
125.05964	1.9
129.05446	0.8
131.04880	2.0
132.05666	1.1
133.06465	19.9
134.07188	0.9
135.04370	2.5
135.08037	3.6
137.05940	5.8
146.03580	1.2
147.04355	1.0
148.05165	1.6
149.05951	11.3
149.07045	1.1
150.06740	11.7
151.07501	5.5
152.04706	0.6
153.09016	2.0
155.89876	0.7
159.04367	0.7
161.05980	3.4
162.01306	1.2
163.03844	1.8
163.07475	1.1
165.09090	13.8
166.06180	0.8
167.07013	11.9
167.08369	1.2
177.05450	6.8
178.06247	1.5
179.07010	1.9
181.08531	4.6
191.07013	1.5
193.08575	56.5
194.08894	0.8
195.06445	1.1
209.08055	33.4
210.08434	1.3
211.03952	2.0
211.09616	100.0
212.09885	1.7
223.04181	7.3
225.05554	0.7
229.04903	1.3
243.02898	0.9
256.03662	0.7
257.04419	13.0
261.03836	1.0
267.02908	0.8
271.02435	1.2
273.03949	5.9
283.08060	2.2
285.03894	28.2
288.19446	0.9
297.03934	0.7
299.01895	1.4
299.05389	1.6
303.04886	8.7
312.08926	0.6
313.03589	1.1
327.04803	3.5
339.05023	1.5
351.04810	0.8
369.06070	1.6
377.01694	0.7
380.24039	1.8
387.07047	1.2
403.17175	0.9
405.07983	1.9
422.04565	0.7
423.07431	1.3
473.72256	0.7
542.27704	1.4
543.10712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.1
65.03928	3.3
68.05021	0.9
69.03418	0.3
70.06593	0.5
70.95237	0.1
70.95586	0.3
72.08145	0.1
78.03430	0.2
79.01846	0.1
81.07030	0.1
81.84058	0.1
83.04984	0.1
84.08108	0.2
85.02901	0.2
86.09694	0.2
91.05491	0.1
92.04991	5.1
95.04967	0.1
96.04485	0.2
100.00551	0.1
106.02902	0.1
107.01278	0.1
108.04479	0.2
110.06034	2.4
113.72939	0.1
118.06842	0.1
120.04450	100.0
121.02850	2.4
121.04774	1.1
124.03949	0.1
129.10226	0.1
137.06010	0.2
138.05441	0.2
151.07516	0.1
155.04907	0.3
171.04454	0.1
173.05872	0.1
183.04378	0.4
197.57126	0.1
201.05440	0.3
209.07927	0.1
211.03922	0.9
219.10194	0.2
220.10472	0.2
222.07651	0.2
225.05411	0.1
229.04953	0.9
256.03641	0.3
257.04428	6.8
260.03125	0.2
261.03827	0.7
263.01743	0.2
267.02905	0.5
271.05869	0.3
273.03909	2.4
274.04501	0.2
282.09717	1.2
285.03903	15.2
286.04205	0.3
295.06024	0.3
297.03915	0.4
299.02032	0.2
299.05463	0.8
301.03256	0.2
303.04956	4.7
304.05319	0.1
311.05484	0.2
313.07004	0.3
323.05347	0.2
325.03287	0.2
327.04941	1.3
339.05005	0.7
351.05087	0.6
357.05902	0.3
369.05954	1.8
387.06824	0.5
405.08176	0.3
410.12357	0.1
422.08633	0.1
543.18274	0.2
566.45807	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	542.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85715	0.2
65.03925	4.8
69.03435	0.3
70.06568	0.4
70.74997	0.2
70.83584	0.2
70.83941	0.6
85.02892	0.6
86.09693	0.4
91.05428	0.2
92.04988	15.3
98.20715	0.2
109.02841	0.2
110.05999	0.3
118.06481	0.2
120.04443	100.0
121.02855	1.4
121.04816	0.7
131.99416	0.2
138.05396	0.3
147.04163	0.2
153.01848	0.3
155.04874	0.3
162.05537	0.2
183.04332	0.4
201.05431	0.4
204.06544	0.3
211.03847	2.4
223.08760	0.2
229.04948	1.3
229.06882	0.2
239.03372	0.4
245.04453	0.2
256.03574	0.3
257.04395	13.8
260.03128	0.3
261.03836	1.8
264.08777	0.3
267.02859	0.9
271.05991	0.7
273.03888	5.7
281.04486	0.3
282.09705	2.6
285.03888	36.4
286.04144	0.5
287.01865	0.9
287.05374	0.3
295.05966	0.4
297.03873	0.8
299.05478	2.4
303.04944	4.6
311.05557	0.3
313.06839	0.4
323.05264	0.6
327.04947	3.1
339.04834	1.3
345.06232	0.2
351.04865	1.2
357.05811	0.3
369.05991	3.5
386.06497	0.4
387.06985	0.9
404.07541	2.1
405.08002	0.9
422.08585	1.2
506.10831	0.4
524.11914	0.4
542.12518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
51.98816	0.7
53.03938	7.8
55.01848	2.9
55.05500	26.6
57.03412	3.3
57.07059	2.9
59.04985	0.9
60.73980	0.8
65.03928	4.7
67.05493	80.7
69.03417	2.2
69.07053	19.8
69.44702	1.4
69.45107	5.9
70.00198	0.6
70.06569	1.5
71.04993	4.2
71.08607	0.9
72.74308	0.7
73.06529	0.9
77.03902	1.9
79.05479	100.0
80.26859	0.7
81.03400	6.3
81.07040	67.5
82.07371	0.8
83.04962	11.6
83.08610	9.8
85.06529	3.6
91.05464	67.9
91.53348	0.8
92.05767	0.8
93.07027	91.0
94.07321	0.7
95.04312	1.1
95.04950	23.5
95.08588	45.7
97.02887	0.8
97.06525	5.4
97.10152	4.3
99.08087	1.2
103.05472	2.0
105.04514	2.9
105.07010	49.4
107.04942	5.1
107.08574	31.3
109.06499	6.3
109.10128	13.1
111.08068	2.8
111.11723	0.6
115.05421	2.0
117.06995	15.6
119.08558	30.1
121.06488	2.4
121.10118	21.1
123.08039	5.8
123.11713	2.4
125.09638	1.8
127.07537	1.9
128.06195	4.1
129.06975	13.7
130.07774	1.7
131.08545	14.6
133.06483	1.2
133.10092	16.8
135.08003	0.9
135.11671	12.2
137.09598	0.8
141.09068	1.3
142.07817	1.1
143.08537	10.7
145.06424	0.7
145.10104	15.2
147.08049	2.0
147.11661	33.9
149.13246	4.6
155.08563	2.4
156.09337	1.0
157.10185	1.9
159.11642	6.8
161.09622	3.0
161.13237	14.2
163.11179	1.2
163.14832	1.2
167.08525	0.7
169.10107	2.3
171.10172	1.3
171.11664	24.1
173.13237	5.2
175.14838	2.3
179.14334	1.0
181.10025	1.3
183.11697	2.5
185.13243	2.1
187.14792	2.1
189.12733	7.9
193.15810	1.0
195.11713	1.5
197.13277	1.8
199.14760	1.4
201.16342	1.0
207.13765	25.6
209.13168	1.2
211.14943	1.2
225.14711	5.5
243.21103	1.9
256.26352	1.1
257.26886	0.9
261.22116	6.1
281.17526	1.7
294.59561	0.8
298.52124	0.7
311.29456	0.9
312.29871	1.7
317.24734	2.1
449.34134	2.7
467.35162	2.0
479.55035	0.7
485.36023	1.0
523.37732	1.1
541.38843	82.2
541.53577	6.9
542.39063	3.0
542.46936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.3
52.31519	1.2
53.03951	3.9
55.01870	4.3
55.05507	22.4
57.03427	3.8
57.07064	4.6
65.03946	2.4
67.05496	38.9
68.05839	1.2
69.03438	1.6
69.07055	15.9
73.02956	1.5
76.43892	1.3
79.05487	34.0
79.05928	2.2
81.03415	6.1
81.07048	35.7
83.04987	4.0
83.08624	12.0
85.06545	2.6
91.05465	30.9
93.07037	36.5
95.04950	10.0
95.08589	22.0
97.06537	3.7
97.10172	4.4
105.07012	25.2
107.04996	2.0
107.08596	15.5
109.06532	3.8
109.10143	9.8
111.08092	1.6
115.05482	2.9
117.07000	13.0
119.08572	16.6
121.10110	7.5
123.08080	4.0
123.11684	2.5
125.09650	3.4
128.06233	3.6
129.06989	14.3
131.08551	21.1
131.09428	1.5
133.10101	10.1
135.11708	5.8
141.06990	7.7
142.07806	3.1
143.08545	23.1
145.06519	1.7
145.10114	22.9
147.11661	10.7
149.13281	2.7
153.06987	2.1
154.07791	1.6
155.08537	12.1
157.10097	19.1
157.11191	1.4
159.08058	1.7
159.11673	12.3
161.09628	2.7
161.13321	4.3
167.08586	3.7
168.09329	2.0
169.10095	16.3
171.11702	12.3
173.13235	7.1
176.33318	1.4
179.08636	2.2
181.10097	7.8
183.11674	13.8
185.13248	8.6
187.11372	1.5
187.14842	4.5
189.12784	3.3
193.10118	3.0
195.11784	5.6
197.13248	8.2
199.13298	1.5
199.14911	5.8
201.16261	2.4
207.11774	3.1
207.13843	4.2
209.13327	5.6
211.14828	6.6
213.16438	5.2
217.68916	1.3
221.13312	1.6
223.14790	3.3
225.16443	3.3
227.17972	3.1
229.69931	2.2
235.14909	2.7
237.16420	4.1
239.18005	3.1
243.21118	2.5
249.16429	2.3
251.18005	1.7
253.19618	1.7
261.22183	2.8
267.17679	1.6
275.20099	4.6
279.21100	1.8
281.17432	2.5
297.22131	2.9
317.24832	3.3
325.25177	1.6
337.25366	1.7
351.27225	1.6
389.29211	1.6
431.33188	6.4
449.34363	16.5
450.34674	1.9
467.35596	6.3
485.36560	3.3
487.35739	2.2
505.37039	3.6
523.37988	9.9
541.38995	100.0
542.39453	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	541.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02372	1.5
53.03938	8.3
55.01868	3.4
55.05501	27.5
57.03421	3.1
57.07063	2.6
58.88009	0.7
65.03930	4.8
67.05493	85.6
68.05824	1.3
69.03423	1.4
69.07056	17.7
70.03129	1.5
70.03545	2.3
71.04984	3.6
73.06561	1.0
77.03901	1.3
77.10474	0.7
79.05479	100.0
81.03409	8.2
81.07041	71.8
82.07360	1.0
83.04962	13.5
83.08611	9.7
85.06541	3.0
91.05019	1.0
91.05463	70.9
93.07027	87.3
94.07374	0.9
95.04952	24.7
95.08590	47.0
97.02853	1.8
97.06522	5.6
97.10142	4.9
99.08111	1.5
103.05450	2.5
105.04522	3.6
105.07011	48.4
107.04955	6.1
107.08575	34.0
109.06512	6.1
109.10133	13.8
111.08068	2.7
115.05450	2.0
117.06999	14.2
119.08559	27.0
120.60059	0.7
121.06483	2.6
121.10123	22.0
121.10973	1.3
123.08060	3.7
123.11713	2.1
125.09584	1.4
127.07531	1.8
128.06181	3.6
129.06987	15.6
130.07774	0.8
131.08551	11.7
131.41261	0.7
133.10101	16.0
135.11670	12.2
137.09631	1.3
139.11172	0.8
141.06987	1.5
142.07782	1.6
143.08527	10.0
145.10098	13.9
145.11214	0.9
147.08052	2.7
147.11661	34.0
149.13240	5.0
155.08536	2.3
157.10100	2.6
159.11662	5.2
161.09578	3.5
161.13232	12.7
163.14804	1.9
169.10130	2.4
171.11659	27.4
173.13272	4.7
175.14783	1.6
179.14357	1.5
183.11726	1.8
185.13332	2.4
187.14915	1.9
189.12680	10.3
195.11694	1.1
197.13297	1.5
199.14693	1.6
207.13762	25.1
209.13132	1.1
211.14832	1.1
225.14851	1.7
243.21089	1.7
256.26395	0.7
257.26675	0.8
261.22128	4.3
281.17242	1.2
317.24765	1.4
335.25995	0.8
444.17181	0.7
449.34192	3.3
455.40656	0.7
467.35272	1.8
500.72800	0.7
523.37775	2.0
541.38824	85.3
541.53400	2.9
542.39124	5.4
565.44952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.8
55.05499	18.3
57.02463	5.4
57.03425	8.4
58.32206	4.7
61.84835	4.7
65.40612	5.0
67.05492	62.8
69.03421	10.0
69.07065	23.0
70.06577	28.6
71.04968	18.0
71.69902	8.5
72.08115	6.0
79.05475	25.8
81.03419	5.8
81.07040	92.4
83.08591	6.3
84.04472	11.2
84.08140	11.6
85.02894	11.6
85.06557	6.5
86.09698	12.5
91.05466	37.5
91.73509	4.0
93.07032	40.4
95.08590	83.9
97.02815	5.3
97.06514	6.4
105.07002	18.6
107.08569	34.6
109.02842	8.2
109.10145	40.4
110.30528	4.6
111.08057	5.7
119.04919	15.8
119.08580	16.1
120.04451	16.6
120.08057	10.4
121.06410	5.7
121.10127	34.5
123.11673	21.4
125.09637	5.7
129.10219	4.2
131.08569	12.3
133.10088	26.4
135.11662	25.0
137.05966	36.3
137.09500	4.7
138.06302	19.6
145.10104	8.4
147.11632	10.3
149.05928	5.6
149.13280	12.1
151.03877	15.6
151.07542	34.6
151.11119	8.8
152.07835	12.8
153.12766	7.5
159.11685	10.8
161.05998	9.1
163.07503	13.8
166.08609	6.1
167.07010	16.8
171.13773	7.5
173.13232	11.2
174.06837	4.6
189.09119	6.2
190.09407	10.1
196.08469	5.3
197.08020	7.1
203.17859	5.8
208.97183	4.3
215.17929	22.0
221.54373	4.4
224.07727	6.6
227.10600	9.9
228.10973	8.2
233.18980	16.5
251.20033	20.1
253.08136	5.5
254.08916	8.4
255.10091	7.3
256.10330	5.3
269.21063	13.2
285.03882	13.8
285.10989	6.5
286.11642	5.4
287.12671	11.1
288.13113	18.2
307.22870	5.4
313.14459	8.7
314.14630	20.9
325.23660	79.8
331.15512	25.2
332.15665	67.8
343.24765	100.0
361.25754	15.9
362.14221	5.2
389.01196	4.6
541.29614	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	541.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	3.6
57.12804	1.3
58.98730	1.2
60.50371	1.1
61.22388	1.4
69.03396	1.1
70.28062	1.4
71.69903	1.1
71.70325	1.6
77.00894	1.1
77.53388	1.1
81.03378	1.6
82.99858	2.6
90.97375	1.5
97.02837	2.4
98.97561	2.3
101.00864	5.8
107.95113	1.1
109.02854	1.6
113.00877	2.0
115.02407	3.1
116.98602	3.5
118.35407	1.3
119.01904	35.7
131.01875	10.9
133.03447	17.0
134.99686	1.3
137.02948	6.8
142.03496	1.6
142.16438	1.2
143.01868	17.1
145.03445	16.8
147.01358	3.0
149.02905	6.8
151.04510	4.1
152.05659	3.9
155.01868	14.7
157.03410	10.3
161.02930	27.1
162.03050	1.2
163.04494	5.7
166.33438	1.2
167.01828	7.7
167.04027	2.1
169.03474	2.9
171.01343	12.7
171.04974	5.9
173.01506	1.4
173.02936	33.0
175.00941	2.3
175.04541	5.2
179.01857	2.8
181.05534	1.4
182.68294	1.4
183.01381	1.7
185.02934	36.9
187.04523	6.9
189.02428	32.9
189.06088	2.4
191.03966	5.8
192.77446	1.2
196.04561	2.0
197.02983	14.5
199.00845	3.5
199.04550	1.7
201.02452	4.7
201.06090	1.5
203.03984	15.9
207.03545	4.5
208.09651	1.4
210.04668	2.0
215.03964	14.2
217.01903	8.8
219.01932	1.7
221.03079	2.1
221.04904	6.7
227.03983	12.1
229.01938	5.1
231.03474	18.3
243.03569	3.0
245.05034	100.0
246.05161	1.9
249.04559	12.0
255.03514	2.1
257.04944	5.3
259.02917	16.3
261.04572	4.8
261.08182	2.0
263.06134	12.9
267.73810	1.3
271.02924	4.4
273.04590	7.4
275.06100	14.6
277.04059	10.6
279.05627	1.6
279.09259	2.1
286.07800	3.1
289.04077	6.9
291.05612	8.5
293.07040	5.6
298.97980	1.6
300.05652	1.7
303.05634	3.8
305.07153	7.0
307.05069	2.3
319.05017	4.1
333.06671	9.8
335.08200	3.0
361.06171	9.7
365.09177	5.4
367.08752	1.5
379.07224	4.2
393.12292	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	540.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20760	1.2
57.03409	2.1
67.05455	1.8
69.03389	2.6
70.06570	10.1
71.36448	1.5
71.36784	3.1
79.05482	1.8
81.07027	2.6
84.04477	2.3
84.08128	4.2
84.46417	1.5
85.02898	7.9
86.09698	2.7
91.05470	15.1
95.04940	5.5
97.02865	2.9
103.05461	3.1
105.03338	1.6
105.06997	2.5
106.04144	6.8
107.04954	2.7
110.07093	1.8
111.04343	2.0
119.04930	10.3
120.04398	1.5
120.08082	1.8
121.02828	6.2
121.06476	9.2
122.03619	3.7
125.05942	2.2
129.06972	8.3
131.04880	5.2
131.08597	3.4
135.07985	2.8
137.05954	49.4
137.07002	2.6
143.76451	1.3
145.06432	2.2
148.82423	1.4
149.05968	17.5
151.03909	3.3
151.07520	64.2
153.09088	2.4
157.06479	5.6
159.08017	1.9
161.05983	5.3
161.09579	2.2
163.07513	13.8
164.73958	1.5
165.06981	2.8
165.09117	3.2
167.07065	1.9
167.08553	6.0
174.06734	5.6
175.07553	3.5
177.05428	5.1
177.06798	1.6
177.09035	2.8
179.08539	1.7
181.08560	4.1
189.09085	27.6
193.06567	2.7
193.10101	2.4
195.08002	11.9
197.06004	1.7
201.09134	3.0
207.10078	3.3
209.08011	16.5
209.09647	1.5
219.10158	23.3
221.05928	4.6
221.09509	4.5
223.07520	6.3
225.09024	2.9
227.10628	20.5
240.07654	1.6
241.04742	1.7
249.09073	2.5
253.08536	7.1
253.12204	6.6
254.08957	1.7
255.10165	17.3
267.10147	4.7
269.08148	1.8
271.06061	1.7
281.11627	3.7
285.11227	13.1
287.12744	35.1
297.03912	2.6
298.04172	2.7
313.14273	34.3
331.15359	100.0
332.15765	2.8
392.10425	2.2
540.34253	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05483	1.9
56.05009	1.6
65.21709	1.3
65.75967	1.9
67.00283	1.4
67.05483	3.5
69.03430	3.9
69.42862	15.8
70.06583	11.9
71.04967	2.6
72.08142	1.9
74.06070	1.4
79.05476	2.8
81.03381	2.3
81.07044	4.7
82.18211	1.3
84.04472	2.4
84.08125	4.1
85.02884	9.3
86.09696	6.0
91.05457	11.7
92.59161	1.3
93.07024	2.0
95.04955	3.3
95.08578	3.3
97.02878	4.1
103.05472	2.4
105.06973	1.8
107.04921	3.6
107.08581	1.8
109.02833	1.8
109.06495	2.7
109.10113	2.9
110.07133	2.0
111.23750	1.5
119.04923	6.0
119.08548	1.6
120.08070	2.9
121.06477	2.9
121.10120	1.4
121.69852	1.3
127.03882	2.1
129.06982	5.0
131.04895	4.8
133.10065	1.9
135.08025	1.8
137.05957	43.5
145.06436	2.2
145.10152	1.5
149.05969	7.8
151.03860	2.4
151.07523	50.0
153.78082	1.3
157.06465	8.7
161.05946	4.1
163.07500	13.3
165.07011	2.8
165.09149	2.6
167.07007	3.8
167.08530	3.7
171.13708	3.4
172.06093	1.7
172.14140	2.1
174.06715	3.1
175.07509	4.4
177.09120	2.8
184.07402	2.3
189.09097	17.0
193.06410	2.7
193.10066	2.2
195.08009	6.9
207.10149	3.3
209.08058	3.5
211.07582	1.5
221.05942	2.1
221.09532	3.3
223.07498	4.4
224.08319	1.6
225.09137	3.4
227.10680	14.8
239.93854	1.4
249.08992	2.3
249.64558	1.5
253.08533	5.7
253.12035	7.1
255.10135	14.0
263.10785	1.7
267.10165	3.3
269.08200	1.6
281.11688	2.5
285.04068	1.8
285.11145	11.5
287.12738	29.9
313.14285	25.0
331.15366	100.0
332.15302	2.7
343.15460	3.8
540.24750	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	540.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01853	2.1
65.03912	2.5
70.19076	4.4
75.04465	3.6
78.04693	2.2
79.05466	2.5
85.02887	3.2
91.05461	10.7
93.03385	8.9
93.07028	3.2
95.04951	4.4
95.30954	0.9
97.06518	1.9
103.05441	4.1
105.06985	1.1
106.04150	25.0
107.04927	1.6
109.40450	0.8
117.03368	1.0
121.06490	23.3
124.05135	1.5
124.44267	0.9
125.05963	6.3
128.67250	0.9
131.04897	2.3
131.57420	0.9
134.03587	3.9
135.04411	1.5
137.05951	2.6
138.06702	1.4
139.07509	3.0
145.02829	1.5
145.03967	0.9
148.05151	2.3
149.05956	37.6
151.07535	2.0
153.05379	1.6
153.09087	12.7
163.07504	1.1
167.06912	2.1
169.88524	0.9
177.05440	20.0
181.08575	17.9
191.06953	2.2
196.19725	0.8
209.08055	100.0
219.09996	1.8
223.04283	6.4
341.99664	1.1
387.14270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03421	1.1
61.02913	1.0
62.02306	0.9
65.45432	0.8
67.05484	0.9
67.84866	0.7
69.03422	1.3
69.07072	0.8
69.50351	8.6
70.06580	4.0
71.04976	1.4
74.96552	0.8
79.05462	1.5
81.03393	1.8
81.07033	2.0
84.04473	1.2
84.08121	2.6
85.02886	3.8
86.09716	1.2
91.05452	1.6
93.07070	0.8
97.02898	1.3
98.21416	1.3
99.04433	0.9
105.07059	1.0
106.02895	3.1
107.03236	1.5
107.65064	0.8
109.02875	1.4
120.04476	1.0
120.39622	0.9
121.02877	2.4
123.04373	1.1
123.11684	1.0
124.03951	2.4
131.04926	1.0
131.07054	0.8
135.04366	1.5
137.05960	7.0
151.03848	1.0
165.01820	1.1
167.07065	6.5
175.98538	0.9
183.02866	0.9
185.06038	1.0
187.03888	2.9
189.06999	0.8
197.05957	6.2
211.07504	2.1
213.05379	4.2
221.05923	1.7
221.74406	1.0
225.05438	35.5
228.04109	1.8
229.04919	9.9
231.02837	3.7
237.05487	1.1
239.03307	1.2
239.06946	11.6
241.04926	100.0
242.05527	6.3
243.06337	1.5
247.14665	1.4
249.05379	1.5
253.04926	22.0
253.08702	1.1
255.06493	3.4
263.06976	5.0
265.04871	4.8
267.03098	1.6
267.06500	28.6
271.05978	63.4
272.06302	1.8
279.06522	2.9
281.04922	1.4
281.08075	10.1
287.93872	0.9
291.06464	5.1
295.05994	21.9
296.06323	3.5
307.06027	10.9
309.07474	2.6
319.05969	9.3
325.07013	3.9
337.07114	11.8
355.07980	3.5
371.11194	16.0
373.09058	2.8
389.11215	1.9
391.10150	9.5
401.12268	17.4
419.09045	1.0
425.12225	14.7
437.12482	1.1
443.12241	1.5
449.12277	1.0
455.13312	10.2
467.13306	6.8
485.14331	10.8
503.15375	11.2
521.16266	6.9
539.13556	3.4
539.27930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
58.52130	0.3
64.24213	0.3
69.03423	2.4
70.06564	1.0
71.00985	0.4
71.01341	7.6
71.69488	0.7
72.08144	0.6
81.03380	0.6
84.08091	0.4
85.02885	7.4
89.01938	0.4
89.02380	4.7
89.12354	0.4
97.02859	2.6
99.00774	1.3
103.03925	0.7
103.21122	0.4
105.03371	0.4
107.01286	0.5
109.02885	0.6
127.03886	4.7
135.02849	0.7
135.05496	0.3
135.62872	0.3
137.06010	0.5
145.04942	1.2
153.01828	0.7
155.04863	2.0
158.91487	0.3
174.44586	0.3
177.81178	0.3
182.88571	0.3
183.04355	2.0
187.03850	0.7
197.85251	0.3
201.05443	2.9
209.04753	0.4
211.03883	9.7
215.03481	0.5
219.02962	1.9
225.05486	1.0
229.04939	7.8
237.04025	0.4
239.03429	1.7
241.04950	0.4
243.02838	0.9
245.04434	1.3
253.04900	0.7
253.09727	0.5
255.02998	0.4
256.03674	1.6
257.04404	67.1
258.04706	1.8
260.03128	4.9
261.03885	7.0
263.01849	0.7
267.02893	3.1
269.04352	0.5
271.06024	2.0
273.03891	26.6
274.04617	5.4
275.05426	0.7
279.07098	2.2
281.04398	0.6
285.03885	100.0
286.04211	1.9
287.02161	0.5
287.05423	0.8
295.05920	1.1
297.03815	2.1
298.04495	0.7
299.05411	4.9
301.03427	0.5
303.04941	81.4
304.05225	1.9
305.04269	0.5
311.05475	0.4
311.10028	0.4
313.07159	1.9
315.04956	0.4
323.05609	1.8
325.03491	0.5
327.04993	7.7
327.08905	0.3
339.04984	2.0
339.09274	0.5
341.06635	0.6
351.04901	2.6
357.06067	1.3
369.05991	8.1
376.88687	0.4
387.06830	2.8
405.08136	2.4
419.06021	25.9
420.06378	0.5
471.13712	0.8
489.15082	1.4
503.08398	0.9
507.71964	0.4
521.09320	1.0
521.17401	0.7
539.10266	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.0
59.03146	2.0
67.05476	2.4
67.96684	2.1
69.03428	2.5
69.07044	2.5
70.06575	13.0
71.04939	2.2
71.69863	3.4
72.04962	2.2
72.08144	7.4
74.06110	2.7
78.03442	3.5
79.05480	4.5
81.03423	2.9
81.07039	3.5
84.08131	7.6
85.02885	10.4
86.09706	5.5
91.05457	3.1
94.04175	3.5
96.04497	2.7
97.02875	4.2
105.03388	2.8
105.07008	6.6
106.02894	12.9
107.08554	3.0
108.08211	2.2
110.07146	5.4
119.04956	2.9
120.08101	4.3
121.06412	2.2
122.03642	7.9
124.03942	6.7
127.03864	3.1
129.06953	2.2
131.04900	3.9
133.06450	3.2
135.11620	2.6
137.05951	100.0
138.06239	4.2
143.04916	2.6
145.04930	2.8
149.05978	2.7
151.03879	2.9
151.07529	2.7
157.06358	3.7
160.05215	6.3
161.06007	11.5
163.07549	3.6
165.07341	2.5
167.07014	3.2
175.07524	43.7
179.07100	2.2
180.13318	2.6
187.07541	22.6
189.08974	4.3
191.08563	9.0
193.58443	2.4
195.10179	4.2
199.07410	5.1
203.08508	3.1
205.08633	7.2
217.08575	2.5
219.08003	11.3
231.08011	3.5
235.09654	3.6
241.04939	4.3
247.07556	7.2
251.10696	19.8
258.04730	2.7
267.06537	4.8
271.05896	6.1
273.03937	4.7
274.04291	4.8
277.08246	2.7
279.10181	15.3
283.05951	3.5
285.03806	6.2
291.10196	5.2
295.05899	24.3
296.06339	3.2
297.03967	3.0
300.05807	2.6
303.05225	2.6
311.12744	37.7
313.14175	2.8
323.12781	7.1
341.13577	3.9
388.11380	3.1
418.08618	4.5
532.48981	2.4
538.13153	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85197	1.8
55.05502	2.8
57.03404	2.1
57.37725	2.1
69.03402	2.7
69.59872	18.3
70.06570	7.4
70.39631	1.8
72.08177	2.4
78.03416	6.0
79.05466	3.4
81.03409	5.0
84.04482	4.1
84.08099	2.1
85.02884	7.2
86.09698	3.5
91.05444	4.0
95.04949	2.5
97.02882	4.7
97.06548	2.1
102.36282	2.1
105.07014	4.9
106.02907	14.1
115.05438	5.4
120.08105	2.2
122.03618	5.5
124.03952	10.7
127.03927	3.2
129.07018	3.8
131.04907	3.9
133.06465	3.1
133.10182	2.2
137.05957	100.0
137.47435	2.0
138.06294	4.1
143.04889	5.8
145.05014	3.6
145.06364	2.2
151.03806	2.2
157.06450	2.4
160.05165	6.1
161.05968	10.7
167.06949	3.1
175.07527	62.3
187.07523	24.7
189.09009	4.4
190.05038	2.2
190.07693	2.5
191.08505	9.0
195.10159	4.5
199.07542	5.5
203.08568	2.8
205.08586	10.0
218.07329	2.5
219.08070	8.3
220.08856	4.4
231.08105	3.8
235.09593	7.8
239.06995	2.7
247.07484	4.8
251.10576	13.0
267.06403	2.9
273.03888	3.2
274.04077	2.5
279.10117	12.1
281.08014	2.8
283.05923	2.5
285.03812	5.2
291.10080	5.9
295.05960	29.6
299.05685	2.3
300.06039	2.5
309.07568	2.3
311.05255	2.5
311.12756	27.8
323.12796	9.2
341.13992	4.6
388.10971	2.2
418.08875	4.4
446.86246	2.1
538.12946	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	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01868	1.0
55.05487	0.7
61.02902	0.6
68.44466	0.5
69.03426	0.9
69.99542	3.2
70.06570	1.1
77.03857	0.5
79.05459	1.2
80.42395	0.5
81.07034	1.1
84.08106	0.9
85.02892	3.8
85.07618	0.6
91.05465	3.5
93.07028	1.7
94.04171	1.4
95.04960	0.9
97.02870	1.2
103.05449	2.4
105.07012	4.7
109.06484	1.2
115.05450	1.9
117.06996	2.5
119.08532	1.6
120.08096	1.0
121.06485	2.4
122.03603	3.4
127.03928	0.6
128.06183	0.7
129.06987	1.2
130.04092	0.7
131.04898	1.9
132.05702	1.0
133.06476	5.1
137.05954	100.0
137.63661	0.5
138.06317	1.0
143.04924	1.1
143.05937	0.5
145.06462	2.4
147.04353	1.1
147.08044	2.1
149.05959	5.0
151.07481	1.1
155.04958	1.1
159.08052	1.9
160.05177	0.8
161.05965	16.7
162.06743	2.3
163.07526	1.0
166.08621	1.7
167.06918	0.5
171.08066	0.6
172.05199	1.0
173.06001	1.1
175.07516	24.2
176.07880	0.6
179.07187	0.8
187.05939	1.0
187.07474	7.6
190.07750	1.4
190.33607	0.5
191.08560	4.1
193.08600	4.3
199.07532	3.1
202.07787	0.8
203.08539	2.1
205.08574	2.5
207.08000	1.1
217.08591	0.8
218.07265	0.9
219.06058	0.9
219.07993	6.5
220.08786	0.7
227.16422	0.8
231.08031	2.4
236.08334	1.0
246.14627	0.8
247.07480	3.6
248.08247	1.3
249.08963	0.8
251.10637	11.4
253.08623	1.2
258.04535	0.6
259.07605	1.4
260.07996	0.8
263.10672	1.5
264.07745	1.2
265.08844	0.6
271.05978	1.3
273.03796	1.1
274.04260	1.4
277.08658	0.9
279.10110	8.6
280.10898	0.8
281.08011	1.0
284.02902	0.7
285.03806	2.7
286.04321	1.8
287.05243	0.6
291.10135	4.0
292.10831	1.0
293.08127	0.8
296.10367	0.7
297.03821	3.2
298.04239	5.6
299.04944	0.8
300.05731	1.1
309.10999	1.0
310.04129	0.9
311.12732	26.1
312.05765	1.3
315.04950	1.4
316.05243	1.4
323.12714	7.9
327.04910	1.7
328.05264	2.7
329.13794	4.0
336.98251	0.5
341.13873	5.7
342.06866	0.9
370.06271	1.4
370.10367	0.7
382.06180	1.5
394.06229	1.2
400.11349	0.6
404.84534	0.6
412.07355	1.2
418.12027	0.7
424.11035	1.1
430.08560	0.7
435.33047	0.6
442.11826	1.7
454.11749	0.6
457.30328	1.0
475.31155	5.3
484.12823	1.2
502.14020	1.3
506.19467	0.7
521.15997	0.5
538.23450	0.8
538.30780	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	538.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	0.7
71.01845	1.2
71.17726	0.4
84.04473	0.7
85.35323	0.4
86.09619	0.4
97.02876	1.2
98.12151	0.4
121.02827	0.6
136.07500	0.5
137.05965	0.5
146.96790	0.5
151.03865	0.5
163.03920	0.6
164.66914	0.5
187.17354	0.4
205.06508	0.7
209.05789	0.7
213.05367	0.7
237.05562	0.5
239.03195	0.5
241.04926	4.2
255.06502	1.8
257.04419	1.5
258.05148	1.7
259.05820	0.6
261.05466	0.9
268.03531	0.6
269.04413	7.7
273.03864	1.7
279.06415	1.0
281.04529	0.6
282.05264	0.5
283.05948	3.3
285.03894	100.0
286.04425	3.9
287.05484	1.8
295.06058	0.7
297.03909	8.1
299.02203	0.5
299.05362	2.0
307.05841	3.7
309.03949	0.9
310.04938	0.8
311.05444	27.6
312.05750	1.1
315.04932	25.9
323.05515	2.4
325.07034	8.3
335.05542	3.2
337.07010	0.5
339.04935	35.8
340.05148	0.6
351.04895	9.0
353.06308	2.0
363.04938	6.9
369.05988	26.8
370.06049	0.6
381.06012	14.3
399.07068	15.5
402.80728	0.5
417.08109	17.5
435.09180	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	3.5
53.03931	9.2
55.05504	19.9
57.03416	13.2
57.07067	47.1
67.05497	63.2
69.07067	21.1
70.90861	7.6
70.91204	4.9
71.08617	31.2
79.05487	74.4
80.14835	2.9
81.03375	4.5
81.07043	67.3
83.04969	16.2
83.08616	16.3
85.10161	14.9
86.20622	3.2
91.05466	57.2
93.06442	3.6
93.07036	72.3
95.04954	22.2
95.08600	43.0
97.06548	4.9
97.10120	4.6
101.80190	3.4
105.07021	40.7
107.04913	9.1
107.08563	16.2
109.06500	7.3
109.10158	9.3
117.07040	7.7
119.08555	25.8
121.06448	4.9
121.10145	4.4
123.08064	3.9
123.11641	4.5
128.06204	4.3
129.06990	15.6
133.10085	11.6
143.08536	10.4
145.10100	9.4
147.11684	35.5
161.09502	4.4
161.13222	11.6
171.11696	31.7
188.32448	3.9
189.12694	14.5
207.13812	32.4
225.14804	5.6
239.23705	5.7
281.17429	67.7
302.53320	3.3
313.27328	94.9
313.30957	5.0
362.35263	3.7
519.32843	6.6
519.40344	100.0
536.01440	3.3
537.30353	5.0
551.29999	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	538.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85460	1.1
53.03927	4.9
55.01864	3.1
55.05506	1.4
56.05016	3.4
57.03418	5.3
60.04513	2.1
61.02913	6.4
67.05486	1.3
68.99779	4.5
69.03423	24.8
70.06564	3.0
71.04977	3.2
71.70254	2.3
73.02900	5.0
78.60052	1.2
79.05452	1.6
80.05009	1.3
81.03400	24.9
81.07027	1.4
82.03745	1.3
84.04491	100.0
84.08118	2.2
85.02892	43.7
85.04810	1.2
85.75518	1.4
86.09654	1.6
87.00810	13.3
87.52418	1.1
96.04492	2.9
97.02880	12.1
98.06040	3.0
99.04458	8.8
103.03927	9.6
105.01840	7.7
108.04446	2.3
109.02864	22.6
110.06009	2.4
117.01862	1.5
126.05499	60.6
127.03896	25.4
129.01794	7.3
137.05922	1.3
144.06523	2.5
145.04927	9.0
147.02858	5.9
150.05481	1.8
156.06564	3.2
159.02867	5.8
168.06552	11.9
169.04962	2.1
186.07596	10.0
189.03966	3.4
204.08623	3.9
210.07716	1.4
215.99135	1.2
228.08554	6.3
230.06557	5.1
231.04910	6.1
246.09682	7.8
272.07626	22.8
290.08664	64.2
388.10812	1.4
418.12128	1.8
428.77350	1.2
452.13870	2.6
538.13733	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	537.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.9
55.05503	28.5
57.03419	19.7
57.07061	44.8
60.27039	4.2
67.05489	69.1
69.07062	30.0
70.34467	22.3
71.08617	39.9
79.05479	70.2
80.89240	4.3
81.03423	6.7
81.07046	57.7
83.04951	16.3
83.08606	20.8
85.10143	14.0
91.05456	59.9
93.07036	71.0
95.04967	22.8
95.08590	52.6
97.06517	7.3
97.10122	10.4
97.87482	4.4
104.56758	4.2
105.07011	50.0
107.04977	5.5
107.08564	19.9
109.06493	6.5
109.10114	18.5
117.07001	14.3
119.08530	19.3
120.44024	4.2
121.06435	4.6
121.10155	6.2
128.06082	4.5
129.06956	16.4
131.08531	8.8
133.10086	12.4
143.08467	7.0
145.10103	12.9
147.11655	37.1
161.09663	4.8
161.13269	10.5
171.11659	33.5
189.12703	11.2
194.73576	4.5
207.13757	36.5
249.57359	4.6
281.17410	96.4
313.27298	61.9
519.40399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01868	11.3
55.05503	29.8
56.96562	2.5
57.03438	12.3
57.07067	1.9
59.04992	4.2
60.08155	6.3
61.08487	1.5
63.60651	1.6
65.03931	3.6
67.05493	100.0
67.25550	2.0
69.03421	3.9
69.07053	11.8
70.27248	1.8
71.04975	5.3
71.07348	2.4
71.70640	2.4
73.02919	1.9
79.05486	31.7
81.03400	10.6
81.07043	65.7
83.04974	12.8
83.08597	17.7
84.08122	2.6
85.02888	5.4
85.06535	4.7
85.80254	1.9
86.09699	28.7
87.10023	6.1
91.05449	20.4
93.07020	23.6
95.04950	15.3
95.08585	22.2
97.02888	2.5
97.06494	8.8
97.10158	20.1
98.98458	3.2
99.04444	2.2
99.08089	4.0
104.10760	3.9
104.43729	1.6
105.07011	16.6
107.04933	7.0
107.08572	20.4
109.06513	8.5
109.10137	55.8
109.10875	3.0
111.04432	10.5
111.08070	7.5
113.05999	2.7
117.06994	7.6
119.08567	18.1
121.06499	5.6
121.10134	10.7
123.04385	1.6
123.08056	16.1
124.99982	24.6
125.09601	19.7
129.06998	4.6
131.08551	11.7
133.06506	2.3
133.10104	7.6
135.08054	6.4
135.11633	8.1
137.09615	5.0
141.07031	1.7
142.03191	1.7
143.08522	3.4
145.10083	11.1
147.08035	6.3
147.11673	5.5
149.09578	6.6
153.09099	3.4
153.12723	4.7
155.10625	1.6
157.10106	4.4
159.11668	4.5
161.09579	3.7
161.13283	2.4
163.11153	12.3
165.09116	3.0
171.10139	2.6
171.11601	1.9
173.09622	3.1
173.11711	14.5
173.13116	3.1
175.11168	3.7
177.12740	2.7
181.12204	7.4
184.07312	95.2
185.07674	24.1
189.11151	20.8
189.12636	2.9
191.10699	4.5
193.12236	3.6
199.11143	1.9
199.14885	2.1
211.13159	1.8
214.49718	1.6
217.15701	1.6
223.13277	4.6
227.12727	18.4
227.17929	2.2
229.14316	33.7
273.00708	1.7
273.18491	14.4
275.20172	9.5
283.15228	2.7
291.19510	42.7
293.21051	2.4
299.06131	1.7
300.06326	1.6
309.20526	2.4
315.33960	1.8
347.22379	3.4
349.23645	1.9
365.23032	9.4
409.27490	3.2
427.28278	4.3
445.29236	3.4
467.25137	1.7
487.48962	2.0
501.31946	8.8
519.33118	24.8
537.34344	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
70.29939	6.4
73.43136	1.4
85.02886	3.2
86.09675	1.3
94.14758	1.3
98.20682	2.2
104.81139	1.4
105.27889	1.6
137.05930	2.5
166.76830	1.3
176.94154	1.5
181.06229	1.3
211.03944	2.2
219.02875	1.9
225.05365	2.4
229.04913	3.6
241.05124	2.5
243.02802	2.3
244.03740	1.9
245.04396	4.6
245.63605	1.5
253.04947	3.1
256.03592	4.2
257.04431	22.2
260.03098	4.7
261.03873	5.7
269.04550	1.5
270.05215	3.8
271.02255	1.5
271.05960	10.4
272.03159	18.4
273.03876	57.7
274.04642	6.8
281.04407	4.3
283.05948	2.0
284.03003	3.4
285.03876	11.4
285.07156	2.5
295.06012	4.3
297.03964	2.5
298.04666	6.1
299.02094	2.8
299.05377	20.8
302.04327	9.0
303.04971	26.1
311.05505	2.8
312.06100	3.1
313.03671	1.6
313.06931	8.4
315.04965	17.3
323.05228	3.7
327.04837	6.0
338.04153	5.1
339.05090	7.3
341.06699	6.6
345.05994	13.7
350.04175	4.0
351.04810	3.7
355.07925	2.1
363.25998	1.7
369.05969	9.0
369.09918	3.1
375.10587	5.3
381.05777	3.9
387.10660	100.0
388.11035	4.8
393.05942	3.9
399.10526	8.3
409.12753	2.5
413.12140	6.3
417.11731	62.9
427.13687	5.3
441.11761	55.1
442.12198	2.4
453.11703	17.1
465.11554	9.6
471.12888	20.9
483.12781	25.6
484.13242	1.7
501.13748	36.0
519.14911	22.0
537.15625	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	537.16
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
50.88595	0.7
55.01854	0.8
59.76990	0.8
69.72354	5.7
73.02870	0.9
81.03361	0.8
83.64156	0.7
85.02909	1.7
97.02932	1.3
103.03946	0.9
109.02858	1.4
115.07616	0.9
123.27692	0.8
137.05989	0.8
153.01790	1.8
164.44873	0.8
197.05865	1.0
211.03848	1.9
215.03258	1.5
219.02884	1.9
225.05511	3.6
227.03317	1.5
228.04117	1.1
229.05063	2.1
231.02834	1.1
239.03384	1.2
239.07053	0.8
241.04900	1.6
242.05731	0.9
243.02843	2.3
244.03741	2.4
245.04512	5.0
246.05110	1.1
253.04987	2.9
254.05663	1.1
255.02890	1.0
256.03568	4.6
257.04437	20.9
260.03137	4.8
261.03888	4.9
263.01843	2.1
265.04828	1.2
267.02966	2.1
267.06387	0.9
269.04437	2.5
270.05197	3.1
271.02783	1.1
271.06042	7.2
272.03128	17.4
273.03897	56.8
274.04639	5.8
277.04999	1.5
281.04480	2.8
283.06021	1.0
284.03201	3.2
284.06680	1.4
285.03922	9.6
285.07129	1.4
286.04672	1.5
287.05487	2.1
293.04449	1.1
294.05203	1.6
295.06012	3.6
297.03876	3.1
298.04691	7.4
299.01929	2.6
299.05411	21.7
302.04150	9.4
303.04974	27.4
305.04456	1.7
309.03784	1.3
310.04642	1.6
311.05344	2.8
312.06241	2.9
313.03708	1.0
313.07019	8.5
314.04288	0.9
315.04971	21.1
321.03967	1.1
322.04593	2.4
323.05487	3.3
326.04153	2.8
327.04996	8.0
329.06631	1.0
337.07101	1.4
338.04181	3.4
339.04953	6.3
341.02805	1.0
341.06491	9.1
345.06042	16.9
350.04211	4.8
351.05078	2.2
355.08078	5.0
368.05261	2.3
369.05994	10.6
369.09808	2.7
375.10895	4.3
381.05920	6.3
387.10712	100.0
388.11151	2.5
393.05817	3.4
395.11539	1.0
399.10776	10.0
411.06802	2.7
413.12573	6.7
417.11771	62.3
418.12262	1.9
423.10739	1.7
427.13962	5.2
441.11777	64.3
442.12140	2.6
453.11728	15.7
455.13333	1.9
465.11801	11.6
471.12851	22.8
483.12808	32.5
501.13889	37.9
502.14151	1.1
519.14984	21.8
520.14380	1.4
537.15997	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	537.1599
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
55.05493	2.0
57.03419	1.3
57.12548	0.8
69.07042	1.3
69.76686	6.5
70.03374	0.8
70.06589	0.9
85.02898	2.9
85.07668	1.2
97.06528	1.3
122.20691	0.9
137.05957	9.0
161.05972	1.5
175.07581	1.6
212.97389	0.8
213.05493	1.0
225.05502	1.5
241.17648	1.0
246.64177	0.9
253.04927	0.9
257.04373	5.8
258.05261	3.2
267.06436	1.0
269.04407	5.0
270.05130	1.2
271.05984	5.4
273.03940	5.3
274.04453	1.2
281.04462	8.9
281.68552	0.9
282.05051	1.6
283.06003	3.2
284.03149	17.6
285.03900	32.0
285.07043	1.3
286.04599	4.0
287.05417	2.9
291.06628	1.2
294.05127	2.0
295.05951	2.9
297.03903	100.0
298.04630	10.4
299.02066	1.4
299.05405	6.8
303.04971	5.1
305.04260	1.1
307.05951	1.8
309.04013	9.2
309.07394	1.6
310.04697	2.7
311.01892	0.7
311.05450	17.1
311.12817	1.7
312.06180	4.6
313.03534	1.2
313.06921	1.4
315.04947	34.1
319.05984	4.2
323.05423	6.0
325.03400	2.1
325.07004	2.7
326.04056	1.7
327.04968	41.6
328.05444	1.5
329.02917	2.2
334.04407	1.0
335.05582	1.9
337.07019	7.1
339.04938	7.5
341.02701	1.4
341.06516	15.2
341.10129	1.4
345.06107	3.3
347.05496	2.4
351.05020	6.0
351.08255	5.5
353.06552	1.4
363.04950	2.4
365.06421	2.9
369.05908	17.0
369.09766	13.2
370.10135	1.1
375.04926	9.1
377.10217	1.2
381.05948	21.9
381.09857	6.6
387.10712	3.9
393.05859	11.7
395.11157	4.9
399.06674	3.8
399.11322	6.8
407.11743	1.0
411.07071	10.8
417.11841	6.2
419.11209	1.5
423.10822	12.0
429.08105	8.5
435.10657	3.4
441.11810	23.1
447.09976	6.8
453.11597	3.2
465.11911	5.3
483.12796	8.5
501.13922	15.0
519.15167	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	537.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99339	1.7
55.01853	1.8
55.05505	3.6
57.03405	1.8
69.03417	2.5
69.07058	26.7
70.06577	5.7
71.06499	3.2
71.06847	2.8
72.08159	1.9
73.06530	5.7
79.05486	3.8
81.03401	5.0
84.04511	1.5
84.08127	2.5
85.02899	8.6
86.09689	4.3
91.05478	1.7
97.02884	3.8
97.06519	4.5
103.05466	2.0
107.04903	2.6
109.02867	2.7
115.07544	18.7
121.02851	2.8
122.03617	2.5
123.04438	1.6
129.10243	1.5
137.02351	1.9
137.05949	32.5
145.06422	1.8
148.10512	1.6
151.03893	17.4
153.05481	1.5
155.04866	1.9
157.06512	2.5
159.79597	1.5
167.05519	1.7
167.06978	2.0
171.04332	2.7
175.07503	1.8
183.04335	1.9
184.61577	1.7
191.07043	1.7
201.05217	1.9
203.05090	1.4
203.06943	7.6
205.08641	3.1
211.03932	8.1
213.05621	1.7
221.06004	2.2
225.05435	2.5
229.04965	6.1
233.08003	1.6
235.03914	1.8
241.04907	3.9
255.02855	2.0
257.04440	49.4
258.05099	4.5
260.03131	13.8
261.03854	6.4
265.04959	1.7
266.05566	1.9
267.02808	2.7
269.04352	6.2
269.08044	3.0
270.05203	2.5
271.03052	2.1
271.05917	11.0
273.03897	41.2
273.06885	2.8
273.86459	1.9
274.04684	6.4
277.04977	1.8
277.12695	1.8
281.04431	12.5
282.04962	2.4
283.06049	3.9
284.03073	21.1
285.03900	99.1
286.04449	6.0
286.08221	1.5
287.02127	2.3
287.05399	8.6
291.06427	2.6
291.10208	1.8
294.04953	2.7
295.05963	7.2
295.09396	2.8
297.03888	100.0
298.04630	12.7
299.02100	2.6
299.05457	18.0
299.08902	3.7
303.04932	79.3
304.05225	2.1
305.04471	1.9
307.06058	2.0
309.03888	7.5
311.05475	18.1
312.06183	4.6
313.03641	2.2
313.06964	2.6
315.04941	44.3
316.05273	1.9
319.06046	4.6
321.04034	1.7
323.05518	7.5
323.08884	2.7
325.07059	2.1
327.04944	54.5
327.12451	2.5
328.05173	2.9
337.07019	6.5
339.04965	8.9
341.06528	20.3
341.10181	3.3
345.05908	10.3
347.05319	3.2
351.04904	9.9
351.08472	3.1
353.06525	2.4
355.08130	2.7
357.05920	4.7
357.13208	6.5
363.04926	2.7
369.05899	25.6
369.09790	12.2
375.04947	10.9
375.14297	4.0
381.05814	24.1
381.09888	3.5
387.06329	3.6
387.10977	17.5
393.05991	13.5
399.10718	7.2
405.08234	5.5
411.07144	13.1
417.11731	23.8
423.10632	6.0
429.08124	8.8
435.10791	2.6
441.11725	29.4
447.10114	4.5
453.11777	4.4
465.11624	5.2
471.12650	5.0
483.12769	8.9
501.13745	15.9
519.07739	3.2
519.14728	8.0
537.15778	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	537.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05504	3.0
60.21579	1.4
65.03917	1.3
69.03433	1.4
69.64098	3.4
69.64503	7.9
70.06596	7.3
70.72852	1.2
72.08133	1.8
74.06078	1.3
75.92034	1.3
76.02222	3.6
79.05429	1.4
81.03413	5.9
84.04483	2.9
84.08134	5.6
85.02882	6.0
86.09696	4.2
91.05458	2.2
95.04988	1.6
97.02891	3.2
97.06489	2.6
109.02863	1.8
120.08099	3.6
129.07051	1.6
129.10217	2.4
137.05943	16.4
151.03856	12.0
151.04918	1.6
157.06435	2.7
163.03880	1.6
171.04379	1.8
179.04829	3.9
180.05055	1.7
189.08989	1.6
191.07076	3.0
203.07039	4.6
205.08537	3.2
209.08099	2.0
211.04013	2.1
233.08015	3.1
241.05049	2.2
253.05084	2.4
257.04233	7.2
258.05240	3.7
267.06445	1.7
269.04379	7.3
270.05142	3.6
271.06024	7.0
273.03925	8.9
274.04544	2.0
281.04398	9.8
283.05887	3.2
284.03128	24.2
284.06351	2.7
285.03897	34.8
285.06970	1.4
286.04700	10.1
286.07822	2.0
287.05383	6.4
295.05933	3.4
297.03882	100.0
298.04562	16.1
299.05362	13.0
303.04868	9.9
307.05865	1.7
309.03925	11.0
310.04739	3.0
311.05423	16.4
312.06183	4.7
313.03592	3.0
313.07025	2.8
315.04907	60.8
316.05484	2.0
319.06052	4.5
323.05301	8.0
325.06866	2.3
326.04382	2.0
327.04974	48.5
329.02783	2.8
335.05450	2.4
337.07050	7.2
339.04919	9.1
341.06467	24.6
341.10083	1.8
345.06000	22.5
347.05252	3.1
351.04929	7.6
351.08740	3.7
352.05585	1.7
355.08096	4.8
357.13254	6.1
363.04840	4.0
365.06558	3.8
369.05945	26.3
369.09778	14.9
375.04892	10.1
375.14807	1.8
377.10455	1.6
381.05957	27.0
381.09921	4.3
387.10736	14.2
393.05966	16.8
395.11255	4.3
399.11209	8.1
411.06973	18.8
417.11835	14.0
423.10748	7.0
429.08096	15.0
435.10635	3.4
441.11716	32.6
442.12192	2.3
447.09521	6.8
453.11768	4.7
465.11658	5.2
471.12833	4.0
483.12695	8.3
501.13776	18.7
519.14899	4.5
537.19507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	2.0
60.85765	0.6
65.12832	0.6
66.33855	0.6
70.20763	3.2
82.99860	0.6
94.92980	0.7
96.69756	0.6
97.02844	2.0
97.89260	0.7
98.20856	1.0
110.01344	0.8
110.51434	1.5
111.01261	1.6
111.53407	0.6
113.00896	0.7
119.01905	1.4
119.51988	1.4
120.01809	1.3
122.01337	4.3
122.51414	3.3
123.01280	2.9
123.02116	0.7
125.01807	0.7
126.01805	0.7
128.01376	1.4
128.51491	0.9
131.01888	16.1
131.02861	0.9
131.51941	15.4
132.01755	14.0
132.51894	0.9
134.01363	0.8
135.01146	0.7
137.00937	1.1
137.01880	9.4
137.51921	10.5
138.01759	9.4
138.96368	1.2
140.02332	0.8
142.52715	0.7
143.01862	9.7
143.51930	7.9
144.01750	6.3
144.51910	1.2
146.02385	2.0
146.52420	0.9
149.01871	2.4
149.51895	3.4
150.01773	2.7
151.53447	0.7
152.02391	6.9
152.52495	4.3
153.02321	4.5
155.01848	1.4
156.01817	0.6
156.97481	1.5
158.02391	2.7
158.52469	2.3
159.02301	1.7
161.02911	2.1
161.52933	1.7
162.02879	1.6
164.02318	1.0
164.52518	2.5
165.02261	1.7
167.02928	0.8
170.95425	1.3
173.02942	7.6
173.53009	9.3
174.02870	8.2
179.53006	1.8
180.02773	1.6
180.97435	2.9
182.03432	1.9
182.53543	2.7
183.03354	1.5
188.03525	0.8
189.03329	0.7
192.97464	1.1
194.03456	1.2
194.53671	1.8
194.95210	4.5
194.96849	1.5
195.03400	1.5
203.03992	10.2
203.54077	17.4
204.03905	12.7
204.53986	1.8
210.98444	0.7
212.04485	1.8
212.54561	1.3
212.96445	8.4
213.04491	2.1
215.54144	0.8
224.04489	5.4
224.54601	7.1
225.04503	5.5
225.54668	1.0
226.97858	0.8
230.97461	1.7
234.04849	0.8
236.96538	3.0
239.55200	0.9
240.05003	0.9
240.99268	0.8
243.01973	0.9
244.02055	1.2
245.01614	0.7
248.96556	0.7
252.99521	1.4
253.99181	0.7
254.05527	1.0
254.55664	2.5
254.97481	100.0
255.05676	2.5
255.97638	2.2
256.02222	0.8
266.97482	30.8
267.97604	0.8
275.06100	1.1
275.56168	1.0
278.97406	1.9
283.00592	4.2
284.06494	1.8
284.56711	5.5
284.98572	7.9
285.06604	6.7
296.98547	2.6
308.98499	1.8
314.99561	19.6
326.99643	0.7
338.99783	1.1
357.00620	9.1
365.09570	0.8
366.09244	1.2
375.01755	4.8
403.04907	3.3
537.06470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.6
56.34853	3.1
56.97114	3.1
57.03427	7.4
57.07071	19.2
61.02902	3.6
62.12189	2.8
65.03919	3.2
67.05499	39.2
69.07059	52.7
71.05003	3.0
71.08623	11.0
79.05493	15.3
81.07047	44.1
81.85301	3.1
83.08607	43.9
85.02883	4.5
85.10161	7.5
86.09702	3.7
91.05817	4.0
93.07021	22.3
95.08587	50.4
97.06527	8.8
97.10146	23.8
98.20745	8.9
107.08583	19.2
109.10141	26.1
111.08068	7.7
111.11693	9.0
121.10126	39.2
123.11661	7.0
124.99995	4.7
125.09568	3.5
130.60837	3.2
135.11665	30.6
137.13225	4.0
139.11147	4.6
149.13191	18.5
151.14771	3.6
163.14832	3.5
184.07356	4.7
200.48312	2.9
209.24161	3.8
226.32382	3.3
247.24216	36.1
265.25211	86.4
283.26260	15.0
299.06177	9.6
339.28873	100.0
357.29837	22.8
454.80508	3.5
471.05396	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	536.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.4
56.05010	1.8
57.03428	1.9
59.67288	1.5
60.91192	1.4
65.03925	2.6
68.04996	2.4
70.06581	22.7
71.70467	2.1
79.05463	2.7
81.03397	7.1
83.04967	3.0
84.04485	2.5
84.08111	3.4
85.02892	16.6
86.09694	2.6
91.05822	2.5
93.03380	14.9
97.02876	8.7
103.05471	4.6
105.03380	1.9
107.04942	24.4
109.02873	13.3
111.00764	1.6
111.04413	10.6
114.05550	2.1
116.07083	21.5
119.04920	4.1
120.08097	3.2
121.02840	24.6
121.06502	4.3
123.04423	3.7
124.61982	1.4
125.14382	1.3
129.59642	1.3
131.04895	6.8
133.02826	2.4
135.04387	22.7
137.02350	5.2
137.05968	2.5
139.03867	10.1
141.01797	3.4
147.04393	4.8
149.02357	3.0
149.05927	7.0
151.03889	8.0
153.01808	2.3
159.04393	6.9
160.54840	1.5
161.02264	2.8
165.01802	27.8
167.05556	2.6
169.01274	1.7
171.04349	1.9
175.03905	5.0
177.01805	15.2
177.05457	9.5
179.03362	2.5
181.04951	1.9
183.02864	30.9
189.01831	4.8
193.04865	1.6
195.02859	100.0
201.01880	3.7
203.03409	14.5
205.04875	3.0
207.02844	36.2
215.03339	6.3
217.04965	3.1
219.02910	5.3
221.04390	11.7
223.02367	5.8
223.05896	1.7
225.03894	43.8
227.03391	6.7
231.02841	34.0
232.03532	1.7
233.04463	4.4
235.06009	2.9
237.03755	1.7
243.02838	10.1
245.04427	5.6
249.03922	29.2
255.02812	5.0
259.05988	18.2
261.03867	14.9
263.05356	2.4
271.05930	28.9
273.03894	36.1
279.04935	2.1
283.05960	2.7
285.03952	4.5
291.04889	22.8
295.05881	2.9
297.03918	5.6
297.07086	2.1
299.05750	7.0
301.07059	25.5
307.06003	2.9
309.06018	6.8
313.07123	1.8
322.07120	2.7
323.05508	2.7
325.07004	45.4
326.07401	2.0
337.06958	4.1
339.04813	2.4
340.08389	3.6
344.96884	4.4
351.05032	3.1
355.08081	48.0
356.08432	2.0
356.96957	4.8
367.08054	18.6
369.05899	4.1
374.97787	2.2
379.07800	2.0
381.05997	1.6
385.09146	31.5
385.96991	1.9
386.08508	10.0
392.98914	2.8
399.98215	1.9
403.10159	88.7
404.10565	2.7
405.08188	1.7
415.98343	2.2
416.09482	3.4
416.98993	3.3
421.11270	62.9
422.11374	2.1
439.98593	2.3
440.09641	10.9
464.09860	2.4
469.98807	2.0
470.10635	3.5
482.10605	2.5
494.01599	3.2
500.11441	8.7
518.12915	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	535.1077
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.15965	0.3
52.58947	0.3
53.03935	2.5
55.01860	2.3
55.05495	0.4
55.23244	0.3
56.05006	0.4
57.03428	1.6
60.04499	0.4
61.01148	0.7
61.02898	1.4
67.05490	0.6
68.99773	1.7
69.03420	6.7
69.07050	0.4
69.93218	0.7
69.93633	1.4
70.06576	5.8
71.04958	1.3
72.08133	0.8
72.10769	0.3
73.02909	1.5
78.10110	0.3
79.05470	0.5
79.13274	0.3
81.02940	0.5
81.03404	7.4
81.07032	0.8
84.04493	0.7
84.08130	1.7
85.02387	0.6
85.02888	10.8
86.09698	0.7
87.00813	5.2
88.98261	0.3
91.03930	0.4
91.05463	1.0
93.06992	0.4
95.04949	0.6
95.08583	0.5
97.02868	4.6
98.05961	0.3
98.20789	0.7
99.04449	2.4
103.05452	0.4
105.01829	2.6
105.03362	0.6
105.07011	0.4
107.04919	0.4
109.02859	6.1
109.06560	0.4
109.10124	0.3
111.00758	1.1
111.04414	0.4
117.01850	0.9
117.41035	0.3
118.06854	2.9
119.04925	0.5
119.08585	0.5
120.08057	0.4
121.02843	3.6
121.06464	0.4
121.10088	0.3
127.03886	8.5
129.01817	0.9
129.10197	1.1
131.04929	0.8
133.02797	0.5
133.06436	0.4
135.11685	0.4
136.07513	0.4
137.02309	1.1
137.05966	2.3
145.04945	1.9
145.06433	0.4
147.02910	0.5
147.04323	0.9
151.03827	0.6
151.07510	0.3
153.01805	3.3
157.06454	0.6
159.02859	3.2
159.09154	0.5
161.05891	0.7
163.08989	0.4
165.01765	1.6
167.06993	1.4
177.05441	0.8
181.04947	0.4
181.33240	0.4
183.02870	1.0
185.05946	0.7
197.06029	0.3
203.06975	0.7
204.13432	0.4
213.05424	1.1
218.91676	0.3
231.04672	0.6
241.04904	0.8
258.05203	1.2
259.05914	0.3
269.21033	0.6
273.03839	0.7
274.12155	0.6
277.08426	0.4
285.03842	0.9
287.05441	100.0
288.05826	2.5
289.03494	0.6
293.07932	0.5
303.04962	0.4
309.10989	0.3
325.10886	0.3
329.06747	0.4
337.10358	0.4
367.07993	0.3
385.09064	1.2
415.09949	0.7
431.18716	0.6
439.10068	0.9
481.11240	0.5
511.32501	0.7
535.21301	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	534.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44654	2.9
53.03942	3.1
55.05495	18.0
57.03428	6.2
57.07061	13.0
61.02913	5.1
65.03917	4.0
66.91634	3.0
67.05497	95.1
69.03413	8.9
69.07066	32.3
69.48283	28.9
79.05486	28.7
81.03412	5.3
81.07043	100.0
83.04944	5.3
83.08614	17.3
85.02885	9.0
85.06524	3.2
91.05465	23.3
93.07023	36.9
95.04927	3.1
95.08585	84.1
97.02872	5.8
97.06502	7.2
97.10136	12.3
98.21401	6.9
105.07004	13.4
107.08590	18.9
109.02880	3.3
109.10148	38.9
111.11658	3.5
117.07003	4.0
119.08578	17.4
121.10114	24.7
123.11704	22.7
127.03841	4.1
133.10117	16.9
135.11658	11.8
137.13190	9.1
145.10066	5.3
147.11661	9.9
149.13235	12.0
151.14763	4.6
154.68166	3.3
155.14313	4.2
161.13222	11.9
163.14795	11.0
165.16341	8.9
175.14786	12.1
189.16327	3.4
227.20026	3.5
231.61806	3.4
245.22604	55.6
245.75685	3.6
263.20950	5.2
263.23663	73.5
275.23148	3.3
300.67627	3.1
311.43396	3.7
337.27280	40.5
371.25812	6.2
389.26865	7.0
398.41721	4.1
407.27988	9.5
463.99234	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	533.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.81625	0.8
69.03400	1.6
69.65447	8.3
70.06580	8.1
72.08138	1.3
72.55519	0.8
78.04697	2.5
79.05488	8.1
81.03415	0.9
81.07035	1.1
84.04491	1.8
84.08119	2.3
85.02893	5.5
86.09671	2.1
91.05466	4.0
95.04928	2.6
95.08574	1.3
97.02861	1.8
97.06484	1.1
103.05436	3.4
105.07024	8.2
106.04185	1.0
107.04936	13.5
109.02839	1.6
115.05431	3.9
117.06967	1.4
118.04168	1.1
119.08556	2.3
120.60724	0.8
121.02876	2.3
121.06472	1.5
121.10167	1.3
123.04398	5.1
124.05172	3.4
125.05971	1.7
127.03945	1.4
128.06209	2.3
129.06972	5.7
129.10168	1.2
131.04877	2.7
131.08519	1.9
132.05705	2.4
133.02734	0.9
133.06461	3.7
133.10114	11.5
135.08028	1.3
136.07510	1.4
137.05898	1.4
138.53987	0.8
145.06415	2.1
147.04390	1.7
147.07983	2.2
151.03827	1.3
152.04663	2.8
153.05449	3.1
159.08035	6.7
160.05104	1.3
161.05945	8.7
163.07536	1.8
167.07016	100.0
169.06349	0.9
171.08014	1.0
172.05206	1.8
173.05989	1.1
173.13271	4.2
175.06137	1.7
175.07529	20.9
177.05438	2.5
187.07518	18.9
189.06956	1.1
189.08974	1.5
190.07671	2.6
191.07021	8.0
191.08553	1.8
191.14305	4.0
193.10017	1.1
199.07515	8.5
203.08505	1.3
206.07161	2.4
209.08066	2.5
215.08510	1.9
217.08635	1.5
218.07259	2.5
219.08047	2.3
220.08569	1.1
221.09650	3.9
231.07999	2.1
232.08832	1.5
233.09604	3.6
234.06715	1.4
235.07497	2.6
247.07516	1.6
248.08203	1.6
249.09090	4.1
251.06970	1.2
259.07458	1.4
260.08313	1.7
261.09030	4.2
262.09882	1.0
263.06921	2.1
266.09332	2.1
274.06125	1.4
277.08472	3.6
278.09464	1.8
279.10046	1.4
281.11719	7.3
285.03860	1.8
289.08536	4.2
290.09250	1.4
291.10220	1.0
293.11603	2.7
306.08896	1.2
307.10110	1.2
309.11172	7.0
311.09113	1.3
321.11215	9.2
322.11835	2.3
325.14355	1.6
326.11426	2.8
338.11374	1.1
341.13779	18.9
353.13828	9.8
533.21747	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	533.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01851	1.7
57.03420	2.2
61.02900	2.0
67.69614	1.1
67.69997	1.1
69.03426	6.9
70.06566	5.9
71.04961	1.7
71.69900	2.1
72.08128	1.8
73.02935	1.3
77.38383	1.1
78.04688	3.8
79.05482	10.0
81.03394	3.5
81.07040	2.2
84.04469	1.7
84.08138	2.5
85.02895	15.9
86.09694	2.6
87.04446	1.4
91.05475	5.6
93.07008	1.6
95.04942	3.7
97.02883	6.5
99.04399	1.3
103.05446	2.9
105.07027	8.4
107.04341	1.4
107.04955	16.0
109.02862	2.8
115.05415	3.9
117.06981	1.9
118.04131	1.2
119.04922	1.8
119.08557	3.4
120.08093	1.4
121.06467	2.3
122.03620	1.5
123.04403	4.4
124.05181	4.9
125.05930	1.3
127.03883	2.9
128.06197	2.8
129.06940	4.3
131.04892	4.3
131.08453	1.2
132.05676	4.0
133.06450	6.9
137.05931	5.3
141.06964	2.0
145.04915	2.1
145.06404	1.1
147.04404	2.6
147.07982	2.6
148.91011	1.2
151.03883	1.8
152.04655	2.3
153.05405	1.4
156.05634	1.6
159.07997	4.7
161.05956	8.4
167.07016	100.0
168.05650	1.2
168.07274	2.0
169.06424	2.0
171.08003	1.1
175.07524	37.0
176.04735	1.3
177.05373	2.6
179.07040	1.8
184.05124	1.1
185.27928	1.0
187.07524	14.9
189.06970	1.4
189.09045	2.2
190.07668	1.4
191.07011	9.4
191.08533	1.4
193.08566	14.3
199.07494	14.7
201.09097	3.0
202.07724	2.6
203.08546	4.0
205.10175	1.3
206.07191	2.1
215.08571	2.1
217.08562	1.7
218.07230	3.3
219.07941	2.4
221.09636	2.2
231.07976	3.2
232.08727	1.7
233.09525	5.0
234.06747	1.4
235.07475	3.3
246.06671	2.4
247.07420	1.9
249.09113	3.9
250.09894	1.3
260.08218	2.9
261.09024	6.9
262.10004	1.5
263.06985	2.5
263.10495	1.0
265.08450	1.3
274.06250	1.7
275.07034	1.7
276.07718	1.1
277.08591	2.9
278.09305	3.5
281.11691	5.0
288.07660	1.4
289.08444	6.5
290.09387	2.2
291.10004	1.8
292.07498	1.2
293.11627	3.6
295.09537	1.5
306.08679	2.5
307.09555	2.8
309.11053	5.6
321.11099	15.6
322.11896	4.0
325.14227	1.8
326.11346	4.0
337.10312	1.5
338.11407	2.0
341.13727	18.2
353.13745	23.4
355.15228	2.6
533.17261	1.6
533.29199	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	531.3673
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
50.64692	1.9
53.03931	5.6
55.01852	4.2
55.05501	32.0
57.07052	4.8
65.03928	3.9
67.05495	60.8
69.07053	21.4
69.46581	2.6
69.46983	18.4
71.04982	5.2
79.05482	49.5
81.03417	2.0
81.07045	55.5
83.04953	4.9
83.08603	14.9
85.02841	2.1
85.06532	6.0
91.04923	3.0
91.05463	44.8
93.07030	56.4
95.04939	6.7
95.08595	41.6
97.06512	7.0
97.10149	10.8
98.21482	3.9
99.08043	3.3
105.07008	49.3
107.08571	37.3
109.06480	3.3
109.10137	23.8
111.08071	2.9
115.05445	2.8
117.07001	19.6
119.08553	43.5
121.06471	2.4
121.10124	21.7
123.08051	4.4
123.11715	2.5
125.09589	5.2
128.06163	5.1
129.07001	16.5
130.07805	3.1
131.02286	2.2
131.08542	40.9
133.10110	33.4
135.08086	2.4
135.11664	24.4
137.09613	2.0
141.06940	3.8
142.07782	4.8
143.08519	23.2
144.09326	2.3
145.10103	47.2
147.11644	27.2
149.13213	5.8
151.11145	3.9
155.08562	11.4
156.09315	2.5
157.10086	24.5
159.11673	32.5
161.09599	4.0
161.13217	15.8
163.11151	4.2
169.10091	14.4
171.11647	23.3
173.09688	3.4
173.13229	26.9
175.11250	2.7
175.14746	7.5
181.10097	6.2
181.12213	2.3
183.11642	18.8
185.13193	19.6
187.14786	12.8
195.11644	6.2
197.13229	11.5
199.11253	2.2
199.14792	14.7
209.13200	6.1
211.14725	5.4
213.16293	5.1
219.44745	2.0
223.14684	3.7
225.16307	5.0
231.21117	4.1
237.16310	3.4
241.19502	12.1
253.14278	3.9
255.15881	19.6
259.20532	30.7
263.17813	3.0
271.20612	2.2
275.20053	2.5
279.20959	2.7
283.20621	2.8
285.22076	4.3
295.20322	2.3
297.21970	5.3
299.20233	2.0
299.23575	4.4
301.21463	2.1
311.23367	2.4
313.21552	4.5
313.24881	2.6
315.23059	4.6
327.23029	4.0
333.24252	13.5
341.24539	4.5
393.31320	5.4
403.29807	7.4
408.27206	1.9
409.30688	6.1
411.32568	12.1
421.31018	27.4
429.33655	4.0
439.31970	24.5
457.33185	22.8
469.32993	2.4
485.36234	11.2
495.34821	9.5
501.35846	9.1
503.37253	33.7
513.35675	100.0
514.35840	3.1
531.36731	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	531.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01863	14.1
55.05234	1.4
55.05502	29.1
57.03161	1.0
57.03431	17.7
57.07056	4.3
57.62637	0.9
61.02918	45.2
65.03931	1.8
67.05495	39.2
69.03422	24.9
69.07056	14.9
71.01335	3.6
71.04984	5.3
71.08617	21.7
71.44083	2.1
73.02904	23.5
75.04473	1.1
77.03898	1.0
79.05481	25.7
79.91812	0.9
81.02940	1.3
81.03410	19.9
81.07043	55.8
81.60928	0.8
82.07336	0.9
83.01310	1.0
83.04974	10.3
83.08607	26.3
85.02892	44.1
85.06538	5.7
85.10181	4.9
86.09688	1.1
87.04447	2.7
91.03943	22.7
91.05467	32.7
93.06433	1.6
93.07027	30.4
95.04955	10.8
95.08588	31.0
95.09196	1.7
97.02242	1.8
97.02876	38.2
97.06512	9.4
97.10126	5.4
99.04421	7.4
99.08076	22.2
101.02358	8.8
103.03928	4.1
103.05462	1.5
105.07016	27.3
105.07719	1.7
107.04937	3.9
107.08575	18.7
109.02854	9.5
109.06526	5.9
109.10123	9.6
111.04427	1.7
111.08069	27.8
113.09634	7.9
115.03911	2.2
117.06995	3.6
119.08562	21.1
121.06515	2.5
121.10121	16.3
123.04448	1.5
123.08084	4.5
123.11691	8.8
125.09599	3.7
127.03899	16.5
127.07616	1.0
127.11237	1.0
129.05490	2.3
129.06950	4.4
131.08522	7.2
133.10114	15.0
135.08051	2.4
135.11659	9.7
137.05988	1.1
137.09605	4.0
137.13240	2.0
139.11171	6.2
143.07054	1.1
143.08531	2.0
145.04980	5.9
145.10103	5.7
147.08044	1.5
147.11661	27.4
149.09598	6.1
149.13229	14.3
151.11165	12.5
153.09166	1.4
153.12749	2.0
157.10118	6.6
159.06526	1.1
159.11678	3.6
161.09552	1.0
161.13243	9.9
163.11203	6.9
163.14882	1.1
165.05507	1.2
165.12737	22.1
167.14307	3.4
171.06528	1.0
171.11646	3.3
173.11710	2.3
173.13194	2.1
175.11150	4.6
175.14806	3.1
177.12674	2.0
179.14316	11.2
181.12242	1.2
183.06520	7.3
183.13786	1.2
185.13261	3.2
189.11259	2.0
189.12711	1.9
189.16301	1.1
193.12242	2.9
193.15871	1.7
199.14886	1.3
201.07568	3.5
203.14273	1.2
207.13673	1.4
215.04984	0.9
221.15379	2.0
227.12752	2.7
229.14394	1.4
231.21075	4.6
235.16998	1.4
241.19627	4.4
245.13794	1.4
249.22195	4.5
259.20526	10.8
275.19943	1.3
277.21585	100.0
278.22189	1.2
295.22641	35.3
351.25238	23.7
369.26324	65.7
393.26370	1.2
397.25668	1.5
421.25552	1.4
477.28177	1.4
513.30170	2.4
531.31482	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	531.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05507	1.4
51.35764	1.3
53.03933	6.1
55.01865	6.2
55.05501	33.0
57.03432	15.1
57.07065	5.5
61.02920	40.0
65.03940	2.7
67.05497	65.2
69.03416	17.4
69.07063	19.6
70.05406	2.3
70.05804	7.3
71.04982	6.1
71.08620	31.0
73.02915	15.4
79.05486	42.5
80.55561	1.5
81.03403	18.6
81.07048	57.2
82.07359	1.8
83.04968	12.1
83.08614	20.0
83.64608	1.4
85.02889	31.4
85.06533	3.2
86.09682	1.5
91.03941	18.2
91.05466	27.5
93.07036	44.9
95.04955	17.0
95.08591	30.5
97.02888	26.2
97.06509	6.5
97.10158	30.5
98.20727	1.5
99.04444	3.4
99.08082	29.7
101.02345	3.5
105.07018	25.3
107.04948	5.5
107.08577	29.1
107.09246	2.6
109.02872	3.1
109.06522	6.1
109.10139	21.0
111.08087	4.3
113.09568	2.1
117.06985	9.4
119.08558	16.1
121.06509	4.3
121.10098	13.2
123.08089	4.6
123.11715	4.6
125.09612	29.7
127.03933	7.0
127.11165	1.4
129.06990	4.6
131.08577	8.2
133.06552	1.5
133.10100	13.6
135.08040	5.1
135.11674	11.0
137.09590	3.5
139.07481	1.7
139.11156	2.0
141.12761	2.0
143.08546	6.7
143.10722	2.3
145.04893	2.9
145.10138	6.9
147.11688	9.8
149.09546	2.2
149.13269	5.5
151.11162	40.4
153.09094	3.3
153.12689	1.7
157.10085	3.3
159.07910	1.5
159.11700	5.2
161.13231	16.0
163.11153	11.3
163.14851	1.9
165.12756	5.9
171.10243	2.2
171.11684	5.1
173.11751	21.5
173.13217	3.4
175.14798	4.6
177.12711	2.5
179.14256	14.0
181.12286	1.7
185.13208	4.1
189.11208	31.7
189.12836	2.5
199.14792	2.2
207.13797	1.8
221.15434	2.5
227.12738	45.4
229.14374	3.5
231.21193	2.1
235.16820	1.7
235.38403	1.7
240.24321	1.6
241.10297	1.5
241.19522	5.2
243.12453	2.0
245.13815	30.2
253.18027	11.4
259.20520	8.0
263.24243	1.9
275.20065	2.0
277.21600	56.4
295.22696	4.4
301.21426	1.8
351.25253	100.0
352.25360	3.3
354.28726	1.5
369.26410	10.7
389.18011	2.5
393.26102	5.0
469.06693	1.5
512.46027	1.5
513.36163	3.1
531.29968	2.2
546.03235	1.7
552.31067	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.7
55.01853	6.4
55.05504	33.7
57.03426	10.6
57.07063	4.0
61.02923	38.1
62.12257	2.6
65.03896	4.4
67.05502	56.6
68.47509	1.9
69.03426	22.8
69.07053	24.2
69.44173	3.6
69.44572	18.6
71.04982	7.3
71.08622	30.1
73.02917	15.4
79.05486	42.3
81.03407	20.6
81.07043	38.5
83.04964	8.6
83.08595	17.7
85.02896	29.7
85.06516	5.8
91.03944	17.0
91.05466	34.3
93.07037	42.9
95.04951	20.0
95.08579	25.8
97.02871	23.1
97.06524	6.1
97.10159	28.5
99.04436	2.7
99.08083	35.8
105.07021	25.2
107.04931	5.9
107.08582	31.3
109.02853	4.3
109.06531	8.7
109.10143	23.1
111.02289	2.1
111.08041	3.8
117.06996	7.1
119.08549	16.7
121.06446	2.9
121.10129	10.0
123.11721	5.6
125.09622	27.1
127.03905	9.2
129.07016	6.1
131.08540	8.9
133.10127	12.6
135.08000	4.1
135.11688	12.6
137.09593	4.4
143.08531	4.4
144.09520	2.5
145.10129	6.4
147.08110	3.7
147.11673	10.0
149.09540	3.5
149.13231	6.5
151.11169	46.8
153.09004	2.5
153.12627	2.0
157.10095	4.4
159.11726	3.1
161.09697	2.1
161.13225	15.6
163.11108	12.2
165.12761	6.3
170.20476	2.4
171.10243	3.3
171.11659	6.1
173.11737	21.6
173.13174	3.5
175.11121	3.1
175.14775	5.2
179.14322	15.4
185.13261	3.7
189.11223	32.7
189.12825	4.1
199.14764	3.8
227.12772	41.5
229.14371	4.3
231.21092	3.5
235.16948	2.4
241.19472	7.6
245.13789	27.2
253.17952	11.8
259.20517	9.7
277.21594	62.9
295.22531	3.4
301.21732	2.8
314.56729	2.5
330.99072	2.1
351.25272	100.0
352.25589	2.7
369.26358	11.1
375.16531	2.2
393.25928	2.9
437.41446	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	531.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	11.4
55.05496	25.9
57.03429	15.3
59.09549	7.9
67.05486	56.5
69.07052	26.8
71.08625	14.6
79.05488	46.5
81.03397	12.5
81.07047	76.4
91.05470	37.0
93.07030	50.3
95.04947	13.4
95.08616	38.3
97.06465	11.0
97.10136	8.3
99.08062	15.6
105.07004	39.4
107.04897	11.3
107.08617	33.7
109.06483	9.7
109.10164	15.6
117.07001	9.3
119.08565	41.8
121.10114	19.9
131.08556	15.8
133.10100	20.3
133.70670	6.3
135.07957	7.7
135.11655	21.0
145.10072	8.3
147.08018	7.2
147.11653	17.3
149.13261	11.4
151.11200	10.3
159.11671	14.3
161.13297	8.3
179.14275	31.9
259.20367	8.1
275.20038	9.7
277.21582	32.3
351.25296	100.0
531.36505	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	531.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01849	2.8
55.05506	4.4
57.03410	4.6
61.02906	4.8
65.03915	3.9
67.05492	10.7
68.99783	2.3
69.03423	6.3
69.07058	5.2
70.06571	8.8
70.73300	2.2
71.04998	2.0
71.70074	2.2
79.05467	8.2
81.03387	5.8
81.07042	12.8
84.04491	3.0
85.02884	10.8
86.09673	2.4
91.05454	7.1
93.03413	2.2
93.07031	7.7
93.21062	2.1
95.04960	4.8
95.08591	4.9
95.85197	2.2
97.02892	6.1
97.10165	2.6
105.07037	5.7
107.04948	7.8
107.08554	4.0
109.02865	4.0
109.06502	3.0
111.04418	4.2
119.04917	10.9
119.08546	5.4
121.02843	52.0
121.10120	3.5
131.04924	2.5
133.10088	4.9
137.05905	4.1
147.04413	2.7
149.09621	4.7
153.44780	2.8
159.04486	2.5
163.03889	9.4
165.05350	2.9
177.01886	2.5
177.05435	5.3
179.03365	3.3
187.03828	3.0
189.01775	5.9
191.03333	4.1
195.02951	12.2
203.03358	10.3
205.04765	2.8
207.02849	6.7
207.06531	3.9
215.03305	2.6
217.04950	5.2
219.02911	4.5
219.06496	3.7
221.04497	5.5
233.08144	3.3
243.02878	2.8
243.06433	2.7
245.04254	3.3
245.08096	7.4
251.05333	5.5
257.04407	4.1
259.09695	3.4
262.24042	2.3
263.09027	3.8
267.06375	2.7
268.07251	5.2
271.09537	2.3
273.03900	6.5
273.07578	4.8
275.09149	5.1
277.21313	2.8
279.06375	4.1
283.05997	9.1
285.07407	3.1
292.07336	4.5
292.14603	2.4
295.05960	100.0
296.06677	13.0
297.07483	10.3
299.09140	5.6
303.05026	2.7
307.05966	36.4
308.07053	4.3
309.07373	15.9
313.07053	3.8
315.08548	3.6
320.06677	9.4
321.07523	25.8
322.07663	2.6
323.09146	5.2
325.07050	86.7
325.10562	3.8
327.04852	3.4
329.10205	3.7
335.09158	16.9
337.06906	8.6
337.10654	34.9
339.08609	3.7
345.06671	2.4
349.06937	21.1
349.10727	12.1
351.08499	41.8
361.06879	7.0
361.10788	3.3
363.08331	3.7
363.12274	41.6
364.12918	2.5
367.07513	3.6
367.11725	38.5
369.26077	3.9
375.08264	3.4
375.12408	4.6
377.12262	17.2
381.13495	5.0
387.37732	2.5
391.07352	3.9
391.12015	12.8
393.13309	26.5
395.13205	4.3
403.11307	5.1
409.09055	7.6
411.14346	43.3
415.11703	3.2
421.12753	4.7
423.14536	2.7
427.10272	2.5
433.12750	9.6
435.14847	13.2
447.14279	7.9
451.13956	13.7
453.12173	4.7
459.14539	4.0
465.06693	2.4
469.14880	44.6
471.12656	4.4
477.15433	9.7
487.15903	20.4
495.16318	20.3
513.17511	34.3
531.18451	34.2
531.25519	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08634	0.4
55.01847	0.8
56.05011	0.5
57.03409	0.5
65.03909	0.4
68.05004	0.3
69.67928	2.6
70.06548	0.6
71.46196	0.3
72.03506	0.4
72.08137	0.7
72.12236	0.4
74.00642	0.8
76.03973	1.1
80.04990	1.1
81.04527	5.6
83.06080	0.9
84.04001	0.5
84.04491	8.2
84.08114	1.0
85.02385	0.6
85.02884	8.5
85.03999	3.1
86.09676	1.9
91.05437	0.4
92.01652	0.9
93.05757	2.5
94.06564	1.1
97.01112	1.2
99.02676	2.1
99.05553	1.2
100.02182	0.9
106.06541	0.9
109.04006	0.4
110.06013	0.6
112.03918	0.4
113.02368	0.4
113.03458	1.3
117.05753	0.6
118.06517	1.9
124.02171	1.1
125.02931	9.9
126.03719	17.3
127.02118	1.9
127.05035	3.3
129.06595	0.8
129.10229	0.6
130.04109	0.6
130.04990	6.4
130.06505	1.4
131.03523	0.5
131.04485	2.2
131.07315	1.8
132.08066	2.6
134.05933	0.4
134.09608	0.6
135.02644	3.2
136.02098	0.7
136.07602	0.3
137.03072	0.3
138.03682	1.2
139.03177	0.4
145.06027	0.7
148.07562	1.8
150.03725	2.7
150.09053	0.4
151.04434	0.7
151.06239	0.4
152.05269	1.6
152.07010	0.5
155.08066	0.6
158.06007	0.4
159.06784	1.2
160.00595	0.4
160.07532	1.5
164.05258	9.3
164.06769	0.7
166.03163	2.8
169.05965	0.6
174.03708	0.8
174.52013	0.4
176.07005	1.4
177.03258	7.9
177.07768	2.1
178.08588	1.7
180.04741	1.5
181.05957	0.4
182.06183	0.6
184.04248	1.6
185.03737	2.4
190.06842	0.8
192.04742	11.8
194.08081	1.4
204.06526	1.2
205.07333	1.7
206.08063	1.2
208.09668	0.7
210.05804	16.6
212.03763	0.7
212.07404	0.5
218.06296	1.2
220.04247	1.6
223.08359	0.6
224.09120	9.3
226.10732	1.4
228.06836	3.6
229.08232	1.8
231.01968	0.5
231.04306	6.8
238.05270	10.3
246.05855	0.5
256.06335	100.0
257.04330	0.6
257.06717	1.0
258.07886	0.9
260.67618	0.4
264.06708	0.5
273.03961	1.1
282.04996	0.7
282.07895	7.1
285.04044	0.6
288.06451	1.0
292.06323	0.9
299.10559	8.3
303.04996	0.8
306.07565	0.6
309.09048	2.9
310.07397	7.9
317.80328	0.4
323.05237	0.7
327.10043	3.5
331.13013	0.4
332.13696	0.8
351.05103	0.6
365.11490	1.2
369.06049	1.0
384.12207	0.7
393.11038	0.5
402.13208	9.1
438.13016	0.7
456.14343	1.9
531.17419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51567	1.1
55.05507	1.9
56.05023	2.2
58.99577	17.1
65.66730	1.0
68.40545	1.0
68.69635	1.0
70.06581	4.6
70.09469	5.8
72.08145	33.0
73.01087	1.0
76.02218	73.4
76.03976	5.7
83.04964	3.3
83.06097	7.0
84.04494	28.7
84.08148	1.7
85.01112	5.5
85.02921	1.5
86.00636	23.9
86.06058	1.6
86.09693	19.6
86.67455	1.3
86.99046	4.4
88.02186	2.1
89.35553	1.1
93.07049	2.0
99.02666	2.2
99.05589	1.9
101.00591	53.3
102.03733	7.2
102.05546	4.0
107.06091	1.1
109.07640	4.2
113.00572	1.6
113.80668	1.1
114.00090	1.5
114.03798	1.2
116.01663	30.2
118.44956	1.4
121.06486	2.6
124.03918	1.3
126.03744	6.4
127.02143	5.1
129.06578	4.7
130.04976	13.0
132.01123	2.9
135.11696	1.4
139.11166	3.0
142.03183	6.9
143.02730	42.1
143.04472	1.7
144.01114	11.8
144.04764	11.7
145.06113	2.1
148.06068	4.8
149.05911	1.5
152.01634	4.8
153.06564	2.0
155.08179	5.3
157.13324	5.5
162.02184	39.1
163.11246	2.1
167.07021	42.4
170.02727	2.8
171.02185	8.8
171.14914	12.6
172.04243	1.4
179.04829	93.8
183.05876	1.4
185.12878	4.8
187.05336	2.1
188.03806	1.8
189.03262	100.0
195.02956	1.6
199.14384	10.2
205.06458	1.9
205.12227	1.8
210.05849	2.7
215.04861	3.6
223.13252	9.6
229.06407	8.9
230.04778	4.6
233.05872	18.4
243.04335	1.7
245.05911	3.2
247.05017	2.1
247.07474	16.9
257.07834	1.2
261.14441	5.0
270.18179	11.4
291.06064	1.2
295.06171	1.9
296.06363	2.7
298.14688	10.4
301.08429	9.7
308.09067	42.4
326.07440	1.6
332.18170	1.9
346.55707	1.3
376.11697	23.7
383.16415	5.4
383.26447	1.8
384.14490	1.5
401.17188	8.1
410.08963	1.8
428.10718	3.6
455.18326	5.7
530.21631	10.0
530.28668	1.4
530.31763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	1.2
53.03935	5.0
55.01860	1.8
55.05503	16.6
57.03416	4.3
57.07063	2.9
57.63869	1.0
61.37871	0.9
65.03919	2.6
67.05495	65.3
69.07060	22.2
71.04978	2.9
71.62999	1.5
74.39188	0.9
79.05480	52.6
80.77000	0.9
81.03402	1.5
81.07043	76.3
83.04957	4.2
83.08609	11.6
85.06516	3.4
91.05464	35.3
93.07030	68.0
95.04952	7.7
95.08590	34.3
97.06524	8.0
97.10142	2.0
99.08090	2.3
105.04542	1.5
105.07017	21.7
107.08576	32.9
109.06508	1.9
109.10138	12.3
111.08063	3.3
115.05464	1.7
117.06998	12.8
119.08558	14.2
121.06521	1.8
121.10126	26.0
123.11684	4.5
129.06995	4.3
130.07773	1.0
131.08543	18.3
133.10100	15.3
135.07985	1.1
135.11676	15.0
139.11148	1.8
141.06944	1.0
143.08531	4.9
145.10078	10.1
147.11682	6.2
149.13243	27.4
151.11214	1.1
153.09190	1.0
155.08502	1.3
157.10118	5.0
159.11674	14.8
161.13254	4.2
163.14803	1.5
169.10114	2.0
171.11703	3.6
173.13182	4.9
175.14781	1.9
177.12694	5.1
183.11676	1.8
185.13272	2.8
187.14868	2.9
195.13744	8.5
199.14853	2.7
204.78055	1.0
213.14722	1.8
261.22150	3.8
265.89127	1.0
419.32874	1.4
437.34091	7.5
455.35184	3.2
473.36322	2.0
511.37946	2.5
529.38788	100.0
530.39288	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01860	2.1
55.05501	17.2
57.03428	2.6
57.07060	3.1
63.35419	0.8
65.03931	2.5
66.66216	0.9
67.05495	51.1
69.07056	17.2
71.04985	3.1
79.05482	40.7
80.03684	0.7
81.03407	2.1
81.07044	56.7
81.74351	0.7
83.04967	3.0
83.08608	10.7
85.06522	1.8
87.04455	6.6
91.05466	28.9
93.07029	46.8
94.07387	1.3
95.04952	6.5
95.08589	28.9
97.06512	6.6
97.10169	3.1
99.08077	1.2
105.07008	19.0
107.08577	20.7
108.84483	0.7
109.06496	2.2
109.10142	10.6
111.08078	3.0
116.06198	1.0
117.07004	11.7
119.08572	15.6
121.06506	1.5
121.10129	18.7
121.10973	1.5
123.08087	1.2
123.11704	3.6
125.09641	1.6
128.06229	1.0
129.06993	3.6
131.08549	17.9
131.09457	1.4
133.10117	14.4
135.08057	2.1
135.11673	13.2
137.09581	0.9
139.11130	1.0
143.08539	5.4
144.09344	1.2
145.10081	13.4
147.11670	5.1
149.09650	1.0
149.13242	13.9
151.11203	1.1
155.08574	2.5
157.10080	6.8
159.11673	13.4
161.13206	5.1
163.14827	1.0
163.54994	1.0
169.10129	3.1
171.11603	6.0
172.12503	0.9
173.13216	7.1
175.14865	2.2
177.12781	3.2
181.10074	1.4
183.11711	3.7
185.13272	3.3
187.11134	0.8
187.14769	4.2
189.16412	1.1
195.11821	1.8
195.13826	5.3
197.13208	2.2
199.14825	2.2
201.16367	1.4
209.13364	1.4
213.14668	1.2
213.16548	1.2
223.14871	1.0
225.16356	1.2
231.17792	0.9
243.21300	1.2
256.26358	5.8
257.19028	0.9
259.20413	1.2
261.22147	2.7
275.20056	1.2
285.22214	2.9
299.23590	1.2
329.92029	0.8
409.34879	0.9
417.30188	1.1
419.33066	3.1
424.23752	1.0
437.34149	8.2
438.34534	0.8
455.35049	3.7
473.36041	1.4
511.38235	5.2
529.38867	100.0
530.38959	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01859	3.5
55.05503	20.6
57.03432	5.8
57.07054	4.2
63.43679	0.9
65.03930	1.8
67.05495	65.3
69.07056	20.3
70.83182	2.9
71.04985	5.1
71.08609	1.7
77.78451	0.9
79.05482	52.8
81.03391	1.6
81.07046	68.1
82.07390	1.1
83.04972	5.0
83.08602	11.7
85.06519	2.3
91.05466	35.1
93.07030	61.9
94.36307	0.9
95.04948	8.6
95.08591	36.9
97.06526	8.2
97.10143	3.4
99.08075	1.9
105.07016	23.1
107.08575	33.1
109.06512	3.0
109.10155	14.2
111.08070	4.2
117.07010	12.1
119.08578	18.7
121.10136	25.2
123.08076	2.5
123.11677	3.7
125.09587	2.1
129.06985	4.9
131.08557	20.0
133.10112	14.9
135.08012	1.4
135.11662	12.1
139.11205	1.0
141.06958	1.3
142.07796	1.1
143.08549	6.0
145.10106	15.5
147.11662	8.4
149.13240	20.6
151.11128	1.4
152.42792	1.0
155.08525	3.7
157.10103	6.2
159.11652	16.1
161.13261	5.3
167.14330	1.1
169.10115	3.5
169.69511	1.1
171.11707	4.8
173.13206	7.2
175.14851	1.4
177.12762	3.7
181.10211	1.4
183.11740	2.2
185.13249	3.7
187.14810	4.1
195.12115	1.2
195.13760	6.1
197.13254	3.4
199.14845	3.1
201.16371	2.3
209.13289	1.8
211.14838	1.5
213.14709	1.4
213.16492	1.3
223.14726	1.4
230.92268	1.1
243.20981	1.7
253.14230	1.4
256.26361	2.0
259.20670	2.0
261.22220	2.8
285.22333	1.2
299.23691	1.9
313.25247	1.4
317.24704	2.0
419.32819	2.8
437.34113	7.8
455.35342	3.2
456.34354	1.2
473.36435	2.1
493.36539	1.5
511.37863	4.2
529.38867	100.0
530.39172	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	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
54.66965	1.2
55.01860	3.2
55.05500	26.7
57.03427	7.6
57.07060	4.0
65.03930	5.1
67.05495	100.0
69.03401	1.5
69.07056	32.4
71.04993	6.2
71.23371	2.2
71.23688	1.7
77.03944	1.6
79.05482	74.6
81.03427	2.0
81.07045	98.2
83.04964	6.4
83.08603	19.3
85.02920	1.3
85.06534	4.7
91.05466	48.9
93.07032	98.7
95.04967	10.7
95.08595	45.7
95.09203	2.6
97.06509	10.3
97.10152	3.4
99.04507	1.4
99.08090	3.8
105.04561	1.9
105.07012	29.3
107.08584	41.4
107.09160	1.5
109.06505	3.0
109.10139	15.7
111.08038	6.0
113.09598	1.3
115.05449	1.8
117.07002	16.0
119.08567	17.7
121.06489	2.1
121.10133	37.9
123.11707	3.0
125.09565	1.4
128.06265	1.3
129.06987	3.7
131.08554	24.2
133.10118	19.7
135.08067	2.1
135.11674	19.4
143.08586	5.9
145.10106	14.3
147.11690	10.9
149.13235	30.6
155.08560	2.7
157.10143	4.7
159.11665	20.8
161.13264	4.8
163.14793	2.1
169.10138	3.1
171.11696	5.2
173.13222	8.7
175.14803	2.5
177.12735	5.0
183.39693	1.5
185.13263	2.9
187.14809	4.2
195.11937	1.8
195.13834	6.3
199.14955	1.6
201.16270	1.6
211.14754	1.8
243.21086	2.1
261.22131	5.1
283.20663	1.3
317.24973	1.3
419.33411	1.5
437.33984	9.1
473.36069	2.1
511.37872	2.8
529.38849	99.0
530.39172	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	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67825	1.0
53.03925	6.7
54.54023	1.0
55.01853	2.3
55.05499	21.6
57.03419	4.4
57.07047	2.5
57.37083	1.0
65.03912	3.6
65.04508	0.9
67.05490	68.4
69.06690	1.4
69.07052	23.7
71.04965	3.6
71.61871	2.0
74.97703	0.9
77.03882	1.2
79.05478	57.6
81.03403	2.5
81.07038	78.7
83.04951	4.8
83.08601	11.2
84.37706	1.0
85.06511	3.4
91.05463	36.4
93.07025	73.4
95.04948	7.9
95.08585	38.2
97.06506	7.5
97.10158	2.4
99.08063	2.5
105.04459	2.0
105.07010	19.8
105.70246	1.0
107.04976	2.1
107.08566	38.3
109.06512	3.9
109.10137	10.4
111.08056	5.1
113.09623	1.2
117.07004	12.8
119.08550	16.0
121.06446	1.6
121.10117	27.7
123.11670	3.7
125.09612	2.2
128.06239	1.0
129.06960	2.5
131.08554	18.2
133.10112	17.8
135.11656	15.9
137.09605	1.1
143.08531	2.7
145.10083	12.9
147.11652	8.3
149.12100	1.9
149.13234	24.1
151.11188	1.1
155.08513	1.9
157.10126	3.6
159.11659	15.8
161.13268	4.5
163.14769	1.8
169.10107	1.7
171.11665	4.2
173.13237	5.9
175.14789	1.6
177.12737	4.6
183.11711	2.0
185.13223	2.8
187.14806	3.0
195.13727	10.7
197.13153	1.2
199.14850	2.2
201.16365	1.4
213.14703	1.7
261.22101	3.4
273.69611	1.0
299.23837	1.2
317.24625	1.3
325.24863	1.1
419.32895	1.6
437.34091	5.5
455.35031	2.7
473.36493	1.6
511.37936	3.8
529.38782	100.0
530.38940	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03937	5.9
55.01856	2.6
55.05243	1.5
55.05504	22.8
57.03415	4.7
57.07072	1.9
57.33230	1.4
65.03918	2.8
67.05496	63.7
69.07059	21.9
69.68857	1.7
69.69268	8.0
71.04962	3.5
73.06113	1.1
79.05482	48.5
81.03439	2.2
81.07047	68.1
83.04948	4.1
83.08601	11.8
85.06510	2.7
91.05468	35.5
93.07031	62.5
95.04961	7.3
95.08594	36.3
97.06504	5.0
97.10159	3.4
105.07016	26.5
107.08575	33.7
108.44121	1.4
109.06527	3.5
109.10143	10.9
111.08052	4.3
117.06993	12.2
118.07420	1.2
119.08564	20.1
121.10126	22.7
123.08031	2.4
123.11697	3.6
125.09648	2.1
129.06978	6.5
131.08556	20.0
133.10126	15.0
135.11687	13.5
141.06998	2.2
143.08543	6.1
145.10114	17.3
147.11661	8.0
149.13248	15.5
155.08540	3.3
157.10133	7.5
159.11684	16.1
161.13266	4.3
163.65628	1.3
169.10121	4.5
171.11716	5.9
173.13210	8.3
177.12740	3.8
181.10043	1.6
183.11710	2.3
185.13240	4.3
187.14815	2.7
189.16460	1.4
195.11943	1.2
195.13799	5.4
195.35944	1.1
197.13258	2.7
199.14819	3.2
201.16342	1.1
211.14799	1.5
213.16362	2.5
261.22244	3.5
311.23795	1.7
317.24890	1.4
325.25195	1.4
367.48691	1.2
419.33130	2.6
437.34058	9.3
455.35239	5.2
473.05518	1.5
473.36340	2.7
511.37598	3.4
529.38831	100.0
530.39307	3.6
545.92792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.7
54.05508	3.5
55.01858	10.2
55.05494	14.3
57.03419	11.6
58.09588	3.8
59.44585	4.1
61.02902	15.7
67.05502	31.8
69.03409	15.7
69.07053	15.3
69.45752	39.5
71.08610	14.1
73.02907	5.1
79.05485	25.4
81.03417	24.5
81.07046	40.0
83.04967	7.9
83.08593	10.4
85.02881	17.9
91.03909	7.7
91.05476	24.8
91.05972	4.3
93.07016	15.7
95.04949	14.7
95.08591	16.8
97.02872	17.3
97.06501	17.0
97.10135	10.6
99.04428	9.4
99.08067	13.2
105.06997	30.0
107.04922	12.3
107.08565	14.8
109.02865	8.9
109.06452	6.0
109.10105	8.4
117.07022	7.9
119.08561	13.3
121.06503	7.5
121.10111	7.8
125.09583	6.9
127.03893	13.0
131.08571	11.7
133.10117	16.2
135.11636	8.9
145.10095	6.4
147.11673	7.2
157.10100	5.2
159.11620	6.2
179.14343	5.4
181.12192	4.5
189.11212	7.9
193.12230	6.3
257.18964	5.4
275.20001	51.9
293.21063	100.0
349.23654	63.3
367.24857	23.0
392.45950	4.9
413.42151	4.0
529.29620	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01857	6.6
55.05508	16.9
56.96615	1.7
57.03440	10.2
61.02922	18.0
65.03917	2.9
66.44561	1.8
67.05492	48.4
67.36320	1.5
67.75124	1.6
69.03423	8.6
69.07058	13.9
69.50453	19.2
70.06579	2.3
71.04984	3.2
73.02901	6.9
79.05486	34.2
81.03408	10.9
81.07047	69.3
83.04962	5.7
83.08615	6.5
85.02886	20.2
85.06519	2.2
91.03956	11.2
91.05470	26.8
93.07028	33.6
95.04962	9.8
95.08597	35.3
97.02862	13.3
97.06514	5.6
97.10145	5.3
98.21400	3.3
99.04442	3.0
99.08046	2.3
100.59311	1.6
101.02376	2.5
105.07011	44.8
105.07716	2.6
107.04921	15.9
107.08575	19.9
109.02854	4.7
109.06511	9.6
109.10130	19.8
111.08038	2.8
117.06998	6.5
119.08561	24.0
121.06488	3.8
121.10133	17.0
123.08052	3.9
123.11678	8.2
125.09679	2.7
127.03898	8.5
128.06281	1.8
129.07040	3.4
131.08551	17.5
133.10107	16.5
135.08051	3.5
135.11679	8.0
137.09599	4.8
141.06920	3.3
143.08508	3.4
145.04941	1.9
145.06444	2.3
145.10109	9.8
147.08020	2.9
147.11656	16.7
149.09616	6.0
149.13243	5.8
157.10097	4.2
159.11659	8.9
161.09534	2.5
161.13277	2.9
163.14827	2.1
165.12740	7.2
171.11618	3.8
173.13240	5.1
175.11241	2.6
185.13272	2.6
189.11267	2.6
229.14375	2.8
229.19487	3.8
239.18005	2.6
247.20522	9.2
257.19000	7.0
265.21606	6.6
267.15955	2.9
275.20016	87.6
285.16806	3.1
293.21088	7.2
303.23114	2.5
349.23697	100.0
367.24823	9.4
511.33997	2.4
529.35901	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.5
55.01864	17.0
55.05502	34.3
57.03431	26.3
61.02917	55.8
65.03938	4.4
67.05494	100.0
69.03419	33.0
69.07061	34.5
70.06581	9.4
71.01363	4.0
71.04966	9.5
71.15463	4.7
71.15768	3.7
73.02894	25.7
79.05484	55.8
79.88107	3.3
81.03403	25.2
81.07043	84.0
83.04955	9.8
83.08613	23.8
84.08135	4.8
85.02447	5.3
85.02901	52.6
85.06515	9.0
91.03945	31.2
91.05459	48.4
93.07027	45.0
95.04935	15.9
95.08595	49.9
97.02879	53.4
97.06527	18.1
97.10134	15.5
99.04414	11.2
101.02365	10.9
103.03917	7.1
105.07019	44.9
107.04933	16.6
107.08566	37.6
109.02871	13.2
109.06496	10.9
109.10131	39.8
111.08067	8.8
117.05392	3.4
117.07004	16.5
119.08562	38.7
121.06481	6.3
121.10123	23.2
123.08066	7.5
123.11695	10.1
125.09617	15.4
127.03889	20.6
129.07027	4.4
131.08505	18.4
133.10121	27.9
135.08061	5.8
135.11673	12.4
136.57286	3.2
137.09590	10.9
139.11128	3.6
143.08553	4.4
143.65987	3.3
145.04955	8.2
145.10109	26.6
147.11656	26.5
149.09584	20.8
149.13257	10.9
151.11172	4.8
157.10098	3.8
159.11650	18.1
161.13205	9.7
163.11160	13.4
165.12788	7.4
169.58295	3.4
171.10167	6.2
171.11653	7.5
173.11705	22.7
173.13148	6.2
175.11111	4.6
177.12755	5.7
179.14255	4.2
183.06468	4.1
189.11205	16.0
197.13289	4.6
227.12764	7.8
229.14314	20.6
229.19411	8.3
239.17825	6.4
245.13803	6.3
247.20503	6.2
249.00020	4.0
253.17993	5.7
254.11995	4.0
257.18909	17.2
265.19559	3.3
273.03860	4.3
275.20023	97.3
276.20325	4.5
293.20926	15.8
331.22635	3.3
349.23700	46.8
367.24741	68.5
529.29645	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36744	2.6
52.27512	3.0
53.03932	10.9
55.01868	23.7
55.05503	30.7
57.03426	31.8
57.07074	3.0
61.02924	43.6
63.26033	3.2
66.03780	2.8
66.45351	2.7
67.05499	50.8
69.03421	30.6
69.07066	26.1
71.01322	3.9
71.04986	3.9
73.02895	13.9
79.05482	48.2
81.03402	17.2
81.07049	90.3
83.04967	8.3
83.08592	19.1
85.02892	49.6
85.06538	7.3
91.03951	22.3
91.05466	40.8
93.07035	46.6
95.04948	18.8
95.08582	37.6
97.02876	37.6
97.06515	27.6
97.10149	19.1
99.04433	5.8
99.08096	4.1
101.02348	12.4
103.03948	5.1
105.07019	48.9
107.04929	11.7
107.08575	42.7
109.02861	8.6
109.06497	37.9
109.10152	13.5
111.08079	6.6
113.06001	6.4
117.06998	15.8
119.08564	32.9
121.06518	4.4
121.10154	18.7
123.08031	11.6
123.11710	9.4
125.09622	16.8
127.03893	13.9
129.06972	7.8
131.08545	21.1
133.10121	24.7
135.08051	8.2
135.11668	10.8
137.09608	5.5
143.08565	6.9
145.04962	3.5
145.10107	24.5
147.11673	23.1
149.09586	19.7
149.13133	4.1
153.09041	4.0
157.10104	8.5
159.11635	16.3
161.09668	3.9
161.13246	8.6
163.11168	11.5
165.12741	7.4
171.10190	6.5
171.11586	6.3
173.13237	7.3
177.12808	3.7
179.14198	4.3
183.06490	4.7
183.11659	3.7
189.11188	19.2
189.12714	6.1
191.14212	3.6
193.12338	3.3
200.52892	3.1
219.17413	10.2
227.12749	18.4
229.14264	3.7
239.17958	7.2
245.13765	10.4
247.20509	5.1
253.18053	4.9
257.18997	12.0
275.20029	100.0
293.21048	17.7
299.19485	3.9
349.23694	57.1
367.24768	52.3
529.29675	7.4
541.94061	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.4
55.01854	10.9
55.05502	23.2
57.03423	20.6
57.07051	3.6
57.30953	3.1
59.04966	2.9
61.02916	49.4
67.05491	59.4
69.03412	26.2
69.07044	24.8
70.14936	14.9
70.15310	2.4
71.04976	6.1
73.02901	27.5
79.05023	4.0
79.05478	48.6
81.03400	21.9
81.07040	100.0
83.04954	11.6
83.08590	15.3
84.59000	3.1
85.02894	51.3
85.06533	2.6
91.03937	22.7
91.05451	52.5
93.07034	48.2
95.04974	15.8
95.08585	32.6
97.02875	40.6
97.06512	20.3
97.10139	6.9
99.04430	7.9
99.08080	3.5
101.02341	7.4
103.03922	3.7
105.07007	49.9
105.07639	5.2
107.04935	13.0
107.08573	32.6
109.02856	10.4
109.06514	15.7
109.10117	19.1
111.08081	6.3
115.03909	5.1
115.05392	2.8
117.07013	16.7
119.08561	47.5
121.06512	4.8
121.10130	18.6
122.48053	2.6
123.08038	7.3
123.11664	9.3
125.09601	8.4
127.03848	18.3
129.05434	3.3
129.06902	5.0
131.08528	26.0
133.06499	3.3
133.10103	37.8
135.08029	9.7
135.11655	12.1
137.09558	8.8
143.08511	5.3
145.06494	2.8
145.10081	26.2
147.11685	22.2
149.09607	16.6
149.13252	16.4
151.11116	4.2
155.08405	3.3
157.10077	11.1
159.11659	21.6
161.09544	3.3
161.13222	6.5
163.11137	6.7
165.12715	7.6
169.10115	5.4
171.11652	6.6
173.09575	3.7
173.13216	9.2
175.11151	2.8
177.12729	9.0
183.06508	4.1
183.11800	2.9
187.11075	4.4
187.14766	3.4
189.11165	8.0
191.14255	4.4
193.12140	3.6
195.13795	12.4
201.16551	3.0
211.14713	3.2
221.99275	3.0
227.12756	8.1
229.19542	4.3
230.10484	3.2
235.16960	3.2
239.18021	8.7
247.20622	8.2
255.15788	4.5
257.19019	11.7
263.20050	3.1
269.17474	20.4
275.20007	84.4
275.22992	4.2
293.21075	8.6
349.23654	57.3
367.24789	48.6
391.24942	3.9
511.29398	3.9
529.29810	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
55.01863	12.9
55.05502	36.3
57.03427	16.9
61.02919	54.1
65.03962	3.2
66.69798	2.7
67.05494	64.5
69.03416	25.7
69.07068	18.0
70.32550	12.5
71.01331	3.6
71.04978	6.1
73.02898	25.3
73.39040	3.3
79.05487	38.1
81.03405	22.2
81.07043	48.7
83.04967	9.9
83.08606	44.6
85.02891	41.2
85.06520	3.8
91.03943	30.9
91.05467	40.2
91.89167	3.0
93.07024	40.3
94.48476	2.9
95.04965	16.1
95.08591	38.3
97.02879	45.1
97.06519	10.8
97.10156	5.1
99.04437	4.0
101.02377	9.3
103.03910	4.2
105.07010	42.4
107.04937	15.7
107.08592	30.7
109.02864	9.5
109.06502	7.0
109.10137	20.2
111.08048	9.8
117.06979	17.6
119.08582	30.4
121.06526	8.3
121.10130	22.9
123.08051	9.1
123.11712	8.6
125.09634	9.5
127.03922	22.4
129.06982	9.3
131.08546	20.8
133.06425	4.5
133.10123	30.1
135.11676	16.5
137.09595	6.4
139.11177	5.1
143.08630	3.4
145.04959	5.3
145.06404	3.2
145.10109	26.5
147.11647	18.0
149.09598	37.3
149.13277	5.8
151.11227	8.5
155.08572	5.1
157.10153	3.3
159.11707	16.4
161.09505	4.3
161.13243	7.1
163.11177	43.2
165.12743	6.0
169.10149	6.6
171.11653	5.6
173.09700	3.7
173.13205	10.9
175.11197	4.6
177.12659	6.7
179.14503	3.3
183.11705	3.7
189.12775	5.5
191.14368	4.2
197.13239	3.7
201.12682	4.0
205.12169	4.5
229.19417	9.0
239.17902	12.5
247.20570	6.5
256.82013	3.0
257.18939	22.8
275.20010	100.0
276.20255	5.2
293.20966	12.8
349.23624	40.7
367.24658	40.6
529.29791	4.3
542.40973	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	529.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01859	5.5
55.05502	13.8
57.03426	17.3
61.02917	41.7
65.03963	2.2
67.05495	43.5
69.03422	23.1
69.07056	28.3
69.51690	20.6
71.04982	7.0
73.02911	21.5
76.85985	1.9
79.05479	35.9
81.03415	16.5
81.07043	100.0
83.02066	2.0
83.04967	8.8
83.08605	13.5
85.02898	38.0
85.06540	5.0
87.04427	4.0
91.03947	25.0
91.05464	31.4
93.07031	30.6
95.04961	8.8
95.08589	28.5
97.02874	34.0
97.06528	11.2
98.21458	3.5
99.04428	7.9
99.08073	6.6
101.02368	7.5
103.03953	4.0
105.07019	35.9
107.04938	8.5
107.08570	23.6
109.02879	8.5
109.06507	22.9
109.10123	10.8
111.04440	3.4
111.08069	3.1
112.08618	2.4
115.03867	2.1
117.06988	6.6
119.08563	29.1
121.06506	3.9
121.10123	17.0
123.08061	9.8
123.11692	8.9
123.86885	2.2
125.09614	3.3
127.03899	14.6
129.05420	2.6
129.07025	4.5
131.08540	12.9
133.10112	21.6
135.08034	6.2
135.11674	6.1
137.09587	4.2
145.04945	3.5
145.10078	12.6
147.07889	2.3
147.11679	29.7
149.09642	10.0
149.13242	7.0
151.11183	4.2
155.08527	2.7
157.10129	5.0
159.11685	8.2
161.09573	2.1
161.13313	3.2
163.11136	9.3
165.12721	10.9
171.11754	2.9
173.13258	6.3
175.11110	5.0
177.12721	5.9
183.06525	4.9
183.11609	3.3
187.11021	2.3
193.12311	3.9
195.13574	2.2
197.13333	2.5
201.07599	3.4
201.12753	2.3
221.67358	2.1
229.19444	3.7
233.00526	2.0
239.18047	4.0
247.20573	6.2
257.19003	9.4
267.15988	2.4
275.20026	71.8
293.21100	24.3
349.23654	14.9
367.24747	47.6
428.47235	2.3
460.94733	2.1
495.22372	2.7
529.30133	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.3
55.01854	12.8
55.05503	39.4
57.03420	14.7
61.02917	47.2
67.05494	41.4
69.03416	29.6
69.07057	15.2
69.51371	6.8
69.51782	24.1
71.01353	3.8
71.04972	11.0
73.02905	23.5
79.05473	38.7
81.03403	26.9
81.07036	41.3
83.04961	15.3
83.08604	35.0
85.02892	46.6
91.03932	25.0
91.05467	35.2
92.11613	3.1
93.07031	40.6
95.04949	58.9
95.08585	26.1
97.02876	35.4
97.06519	11.1
97.10146	8.2
98.20702	4.5
99.04424	12.6
101.02327	9.9
103.03918	3.4
105.07001	25.9
107.04942	10.0
107.08579	33.9
109.02865	9.5
109.06476	9.3
109.10164	12.2
111.04436	11.4
111.08080	8.9
117.06987	11.7
119.08553	18.5
121.06493	9.6
121.10110	20.3
123.08019	8.1
125.09591	15.1
127.03890	18.3
131.08560	16.2
133.10114	17.4
135.08009	5.6
135.11671	11.3
139.11147	4.3
143.08511	4.4
145.04950	5.2
145.10091	21.8
147.08073	5.4
147.11649	10.5
149.09602	32.3
149.13232	6.9
153.09021	3.5
157.10101	5.9
159.06709	3.0
159.11671	8.5
161.09506	3.6
161.13226	5.3
163.11177	27.5
165.12703	5.2
169.10056	5.1
171.11653	5.7
173.13139	8.0
175.11060	3.4
177.12749	4.9
187.10997	4.1
189.11198	14.0
205.12166	8.2
223.13260	50.2
227.12665	4.4
229.19394	5.7
239.18007	7.5
255.95966	2.9
257.19058	17.7
275.20035	100.0
293.21078	37.0
322.07599	3.6
349.23709	15.7
367.24738	30.1
529.29443	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24038	1.7
53.03931	5.9
55.01864	13.8
55.05233	2.8
55.05505	46.3
57.03429	17.5
59.04983	2.4
61.02917	53.4
65.03918	2.9
67.05499	50.4
69.03422	27.8
69.07056	17.4
69.43272	9.7
69.43707	8.5
71.01334	3.1
71.04990	8.8
71.54504	1.7
73.02911	18.8
77.53975	1.7
79.05484	47.4
81.03408	23.4
81.07044	46.7
81.07533	2.1
83.04963	18.7
83.08604	35.5
85.02896	42.5
85.06554	2.6
85.86526	2.0
87.04462	2.6
91.03942	19.6
91.05468	31.5
93.07037	44.3
95.04955	55.8
95.08594	30.6
97.02878	32.3
97.06517	11.3
97.10158	13.0
99.04469	14.1
99.08117	2.4
101.02347	10.4
103.03928	3.4
105.07021	35.9
107.04936	16.2
107.08578	40.8
109.02870	12.0
109.06531	11.5
109.10130	14.7
111.04420	16.3
111.08051	9.7
117.07032	14.4
119.08562	31.8
121.06487	5.0
121.10123	22.1
123.08057	6.6
123.11686	4.4
125.09617	11.5
127.03902	16.5
129.05458	4.0
129.07002	6.5
131.08560	21.3
133.10129	23.8
135.08032	6.4
135.11639	11.0
137.09587	5.4
139.11186	3.9
143.08559	3.4
145.04904	5.1
145.10109	24.9
147.08051	5.4
147.11681	12.3
149.09598	35.2
149.13158	2.1
151.11191	3.5
153.09030	2.2
155.08534	2.5
157.10107	4.4
159.11659	14.7
161.09666	2.4
161.13261	4.1
163.11159	35.2
165.12735	5.1
169.10101	3.0
171.11661	5.3
173.09601	5.0
173.11774	2.9
173.13258	6.4
175.11292	2.7
177.12737	5.6
179.14354	2.0
181.12273	3.2
183.06511	5.4
183.11588	2.7
185.13234	2.5
187.11073	4.2
187.14778	2.0
189.11174	14.2
191.10609	3.8
193.12262	2.8
197.13167	2.4
199.14705	1.8
205.12195	5.4
211.14902	2.0
223.13271	50.7
227.12778	3.1
229.19510	5.8
237.14734	2.5
239.17957	7.8
247.20697	2.9
257.18954	14.2
275.20035	100.0
293.21121	36.2
349.23727	22.7
367.24738	33.6
391.24802	3.9
409.25821	2.0
475.26849	2.2
493.27420	2.6
511.29367	2.0
529.30127	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	529.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01855	1.2
57.03429	5.0
61.02902	3.5
62.30764	0.7
64.10173	0.8
69.03420	19.3
70.06072	3.9
70.06566	7.4
71.01338	1.2
71.04969	2.9
72.08135	1.6
73.02889	3.6
75.22140	0.7
78.03416	3.8
80.04991	0.9
81.03406	6.5
84.04474	2.6
84.08130	2.7
85.02898	19.1
86.09682	2.2
87.04457	2.5
91.05486	1.4
96.04482	1.1
97.02888	9.1
99.04439	5.9
99.98775	0.7
103.03891	1.8
104.05238	0.7
106.02910	10.1
107.03239	3.3
109.02847	3.3
110.16516	0.8
118.06497	1.3
121.02885	3.8
122.79840	0.8
123.08019	0.9
124.03928	6.9
125.04258	2.4
127.03890	6.5
131.08534	0.9
137.09589	1.4
145.04936	1.6
145.07581	5.5
147.09135	17.9
149.09647	2.0
159.09163	8.5
160.09892	1.2
163.05968	1.2
163.11234	0.9
165.09093	1.1
173.10785	0.9
185.10670	2.6
189.10234	1.4
191.08131	100.0
192.08511	1.8
197.10663	1.5
199.08632	1.4
199.12193	1.3
201.10233	1.8
205.12099	1.2
212.04254	0.8
213.10223	1.5
215.11838	1.4
216.07658	11.7
223.13251	2.8
225.10217	2.4
227.11711	1.3
229.13342	1.0
257.04459	3.6
258.04700	5.1
261.03799	2.3
262.04163	1.9
263.13947	8.7
269.04291	1.1
271.10892	1.3
273.03940	19.6
274.04251	25.7
275.04498	1.4
285.03961	8.5
286.04300	10.1
289.11826	5.5
295.06091	0.9
297.03989	0.9
300.01889	0.8
303.04800	3.9
304.05316	5.9
307.12836	74.7
308.13141	1.9
311.05249	1.1
312.05606	2.0
314.07156	1.2
323.05545	0.9
324.05774	1.8
324.15466	1.0
327.04889	1.4
328.05215	1.5
339.04941	2.8
340.05283	7.4
350.13419	92.2
351.04678	1.5
351.13602	1.9
352.05139	2.6
357.05942	1.7
358.06284	2.7
369.05911	2.3
370.06232	5.0
388.07605	1.8
469.18036	2.5
494.17584	1.0
512.18713	79.1
513.18958	2.7
546.69019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	12.3
55.01855	20.4
55.05511	27.9
56.96547	20.6
57.03419	16.3
57.16893	4.3
61.02915	18.2
63.44170	3.8
65.03934	7.0
66.82596	4.4
67.05495	57.7
67.37473	4.1
69.03418	9.9
69.07059	35.8
69.46027	50.2
71.01349	4.8
71.04984	6.2
73.02906	9.9
79.05473	68.5
81.03392	18.3
81.07042	76.2
83.04963	9.5
83.08604	16.8
85.02893	27.6
91.03948	10.8
91.05458	62.1
93.07017	51.0
95.04960	19.3
95.08595	32.8
97.02858	16.9
97.06507	27.4
97.10132	10.7
99.04409	6.1
99.08118	5.9
105.07016	63.3
107.04939	19.8
107.08575	34.2
109.06489	15.1
109.10130	17.8
113.09506	4.5
117.06994	19.0
119.08579	30.8
119.68195	4.4
119.73396	5.4
121.06494	8.5
121.10137	20.6
122.49324	4.3
123.08003	11.4
123.11717	6.3
125.09622	10.0
126.71566	4.3
127.03898	7.9
129.06966	8.8
131.08554	23.4
133.10086	39.4
135.08026	6.5
135.11653	14.3
137.09602	6.6
143.08502	9.8
145.10106	24.3
147.07990	6.0
147.11667	25.7
149.09613	20.5
149.13229	8.8
155.08575	7.0
159.11644	12.9
161.13229	9.0
163.11160	12.6
171.11652	11.5
173.13217	7.9
177.12709	8.4
179.14284	8.4
183.11667	5.8
187.11182	5.7
189.11240	8.2
213.07947	4.7
229.07365	6.1
247.08383	9.0
247.20500	6.6
257.19070	15.5
269.10553	10.4
275.20010	78.9
287.11813	6.9
293.21100	24.6
331.15768	10.4
349.17004	23.9
349.23657	100.0
367.17911	42.0
367.24783	16.2
368.18259	5.5
374.15961	10.4
374.65732	5.2
385.18973	8.5
400.15915	4.7
511.33801	5.9
529.29041	5.0
529.35327	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	529.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04560	5.8
56.96558	61.1
69.72229	6.0
71.68616	12.8
78.34454	6.5
84.96013	12.2
96.84286	6.1
97.02855	6.2
98.97545	66.5
100.99155	9.2
110.97588	16.6
116.98601	49.5
128.98587	21.7
134.99635	25.1
140.98651	7.4
143.00084	12.5
144.98064	20.7
146.99646	32.1
158.99640	18.8
161.01201	25.7
162.99094	37.2
170.99670	17.9
177.00638	32.9
181.00203	14.8
186.99126	10.8
189.00661	39.2
199.46983	7.5
201.00671	63.2
201.18698	7.0
205.00159	52.1
213.00725	12.3
214.68268	7.2
219.01758	71.1
223.01230	100.0
229.00105	11.4
237.00699	8.0
237.02708	39.5
241.02281	13.3
243.01834	18.0
247.01227	65.0
259.01221	9.5
261.02753	82.0
261.05222	10.3
265.02319	51.4
273.02933	7.7
277.02328	27.7
279.03848	47.9
291.03848	18.1
307.03262	17.7
319.17725	7.3
321.04971	31.9
349.04333	42.6
351.05750	13.3
367.05493	15.3
399.08176	12.0
461.74658	6.4
511.09656	21.3
529.10651	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
63.95797	0.4
65.03928	2.7
68.99786	1.2
69.03416	1.2
69.77409	3.2
70.06586	3.3
72.08150	0.5
78.03442	2.2
79.03780	0.8
79.05471	0.5
81.03396	2.3
84.08112	1.1
85.02867	0.9
86.09681	0.5
96.04502	0.7
105.03401	0.9
106.02907	7.2
106.03596	0.9
107.01302	0.8
107.03244	1.8
109.02862	1.5
111.04401	2.8
121.02846	100.0
122.03176	0.8
123.04369	0.7
124.03928	4.6
124.07570	1.1
125.04292	2.0
127.03865	0.9
129.10196	0.7
136.07495	0.6
149.02328	2.3
151.03827	0.5
153.01799	1.1
163.03906	0.8
165.01779	1.3
167.03444	0.7
173.06006	0.8
177.01816	9.1
183.02916	0.6
191.03395	1.1
195.02867	8.9
211.03909	0.7
219.02863	1.7
229.04951	1.1
247.06056	1.6
257.04367	2.6
258.04776	1.8
259.06140	0.6
261.03952	0.9
268.66940	0.5
271.05975	30.9
273.04001	2.3
274.04147	2.4
283.08084	4.3
285.03897	5.2
286.04233	8.0
289.06924	0.6
300.05927	0.8
313.06671	0.9
327.04651	0.5
328.05035	0.7
339.04794	0.7
340.05374	2.1
355.08096	0.9
370.06577	0.5
388.07224	0.6
409.07758	2.1
512.18683	0.7
529.11749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05502	0.7
56.05027	0.5
57.03407	0.6
61.02917	0.8
65.03931	0.5
69.03420	0.7
70.06580	3.8
71.70470	0.6
72.08129	1.1
73.02894	0.9
78.03446	5.5
80.04984	0.5
81.03433	0.5
81.07025	0.8
84.04506	0.7
84.08141	1.0
85.02877	1.3
86.09703	1.9
91.05460	1.5
92.05003	2.6
93.05791	0.5
94.06549	0.6
96.04465	1.7
97.02880	0.9
103.03954	0.4
106.02905	14.9
106.06541	1.4
107.03222	0.6
109.02862	0.5
109.10158	0.4
117.05762	1.2
118.06525	10.5
119.07306	1.2
120.08076	1.1
124.03945	7.1
129.10205	0.5
130.06509	1.0
144.08089	0.5
146.09677	0.6
162.09125	10.1
163.09891	3.2
164.10710	0.5
167.06949	0.6
176.10703	0.5
202.15874	3.4
211.03854	1.8
229.04872	0.8
230.15369	23.5
248.16437	0.9
257.04395	7.9
261.04007	0.5
267.02866	0.6
268.08133	0.7
273.03909	3.5
274.18063	1.1
279.14819	0.4
285.03897	24.0
286.04382	1.6
292.19022	37.7
293.19464	0.7
297.03864	0.7
299.05441	0.9
304.19128	1.2
322.20026	0.6
327.04965	0.9
331.67914	0.4
339.04910	2.6
351.04950	0.8
366.22684	7.9
369.05963	0.9
408.07016	3.3
462.07687	0.4
528.27960	100.0
529.28314	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	528.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15914	4.1
57.03423	10.5
69.03391	5.4
70.06570	17.7
70.30192	18.3
71.04977	47.7
71.08604	12.0
71.53225	4.1
72.08137	8.9
72.58862	4.8
75.04440	4.9
75.40691	4.4
78.03464	23.9
78.03853	5.8
83.04961	11.1
85.02888	58.1
86.09676	6.6
91.52047	4.0
96.04470	8.4
99.08078	9.1
106.02895	61.9
111.04391	4.8
117.09104	72.0
124.03928	30.4
125.08110	3.9
127.03858	6.8
127.07628	4.0
129.05458	33.1
137.43918	4.2
141.09048	15.0
145.08575	7.4
147.06494	23.9
147.80135	3.8
159.10170	7.6
177.11180	83.0
190.10713	8.4
211.03894	8.7
257.04477	32.9
268.08167	4.8
273.03802	14.1
285.03864	100.0
295.66849	4.5
300.05902	4.2
307.80597	4.8
327.04816	7.1
339.04773	14.7
387.06995	4.7
408.07083	12.5
528.27496	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
51.02370	1.3
61.02902	0.3
69.03419	0.9
70.75317	0.4
70.75658	0.9
73.02910	0.3
78.03442	20.2
80.04992	1.0
81.03393	0.3
85.02906	0.3
87.76844	0.3
91.89569	0.4
96.04484	4.1
97.02841	0.3
103.03898	0.3
106.02898	59.6
106.07500	0.3
107.01317	0.6
107.03226	0.7
109.02849	1.8
119.06039	0.4
124.03930	24.1
127.03910	1.1
153.01831	0.7
155.04872	1.1
165.65907	0.3
173.06050	0.5
182.34445	0.3
183.04405	1.2
187.03951	0.4
190.04965	1.5
201.05452	1.0
211.03879	6.5
215.03484	0.4
225.05447	0.5
229.04927	2.9
232.05956	0.8
239.03329	0.9
250.07124	0.8
256.03592	0.4
257.04413	31.9
258.04816	1.0
261.03937	2.7
263.01715	1.0
267.02826	2.6
268.08160	3.2
271.02350	0.4
271.05908	1.2
273.03879	12.0
281.04532	0.6
285.03891	100.0
286.04166	1.8
287.02078	0.5
287.05508	1.1
297.03876	1.4
299.01859	1.2
299.05496	3.5
301.03580	0.4
311.05508	1.1
317.87881	0.3
323.05438	0.5
327.01395	0.6
327.04956	5.1
339.04974	8.1
340.05051	0.4
341.06671	0.6
351.04880	1.7
357.05963	0.6
362.06668	0.8
369.06018	3.2
371.93759	0.3
380.07547	1.0
383.34006	0.4
387.07074	2.6
405.08035	1.2
408.07080	16.2
409.07031	0.4
510.10303	0.4
528.11261	3.0
528.28235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
55.01865	0.6
56.21123	0.5
64.56460	0.6
69.65086	4.7
70.06607	0.6
78.03445	18.1
80.05004	3.3
81.03418	1.0
85.02895	1.2
96.04480	6.7
98.21436	0.7
99.96096	0.6
103.03934	0.8
105.03388	1.0
106.02905	46.4
107.01364	0.6
119.06077	0.8
124.03939	81.3
125.04253	0.9
139.99269	0.5
153.01842	5.3
155.04909	1.5
165.06932	1.0
166.04968	5.3
171.04338	1.5
183.04416	1.4
193.06454	1.2
197.05910	0.9
199.03940	0.9
201.05467	1.8
208.06030	0.8
211.03877	4.9
217.04906	0.8
219.02852	3.5
221.05986	3.4
225.05408	4.8
226.07043	4.9
227.03387	0.7
229.04974	5.9
239.03371	2.4
239.07062	0.8
239.74164	0.5
243.03003	0.8
243.06354	0.9
245.04442	2.8
246.04950	0.6
249.05429	2.3
253.04984	3.2
255.02930	1.2
256.03778	0.8
257.04422	40.5
258.04907	0.9
260.03122	6.8
261.03787	4.2
263.01880	5.6
267.02921	3.1
267.06509	2.0
269.04483	2.0
271.02884	0.8
271.05994	10.8
273.03900	50.2
274.04666	6.8
275.05527	0.8
277.04965	3.0
279.06442	0.9
281.04437	3.5
284.03214	1.2
285.03900	29.3
285.07480	6.7
286.04132	0.8
287.01862	2.1
287.05444	1.5
294.05356	0.7
295.05972	13.9
297.03854	3.4
298.04636	4.4
299.01953	1.5
299.05441	28.5
300.05820	1.6
301.03342	2.2
303.04959	100.0
304.05209	2.3
309.03763	3.3
313.03574	0.6
313.06964	16.2
323.05484	15.5
325.03442	1.2
327.04959	39.0
328.05164	0.8
329.02902	1.4
335.98743	0.6
339.04843	1.0
341.06467	1.9
351.04941	27.8
352.05133	1.1
369.06006	86.9
370.06360	2.9
387.07474	0.7
408.07056	0.6
446.08438	0.9
474.08289	7.1
492.09149	12.5
510.10327	11.7
528.11121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01856	4.2
55.05503	15.6
57.03423	3.9
59.04979	1.3
61.02908	1.7
65.03941	1.7
67.05494	34.8
68.41138	1.1
69.03409	2.5
69.07059	13.7
70.06570	1.2
70.23256	1.1
71.04968	2.1
71.70454	1.9
71.72896	1.1
73.02890	1.2
73.50437	1.1
79.05476	22.7
81.03398	3.3
81.07040	32.0
83.04976	2.9
83.08605	8.1
85.02877	2.6
91.03957	1.4
91.05463	25.3
93.07027	23.9
95.04949	3.2
95.07654	1.2
95.08586	18.4
97.02917	1.3
97.06534	3.3
97.10155	3.5
105.07001	23.1
107.04939	1.1
107.08579	13.0
109.06492	3.1
109.10133	11.1
111.04414	1.1
111.08062	2.5
115.05451	2.7
117.07001	15.6
119.08559	17.6
121.10102	7.4
123.08059	2.3
123.11767	1.5
125.09604	2.4
128.06244	4.1
129.06992	16.0
130.07693	1.4
131.08542	22.6
133.10101	13.1
135.08025	1.3
135.11707	5.0
137.09612	1.6
141.06949	5.7
142.07767	3.7
143.08543	21.4
145.10103	20.0
147.08058	1.4
147.11678	6.6
149.09560	1.7
149.13174	2.2
154.07790	1.7
154.28133	1.2
155.08530	15.2
156.09308	1.8
157.10100	19.2
159.11676	13.4
161.09605	1.5
161.13223	2.8
163.11183	2.0
167.08598	3.8
167.10594	1.2
168.09328	1.9
169.10115	14.0
170.10757	1.7
171.11642	14.7
173.09744	1.3
173.11934	1.7
173.13208	8.0
175.14873	1.9
181.10110	6.1
182.10849	1.2
183.11682	14.6
184.12354	1.5
185.13213	10.7
187.14798	4.4
193.10065	1.5
195.11661	5.4
197.13208	11.6
199.14803	4.8
207.11656	2.0
209.13191	6.1
211.14836	5.1
213.16385	3.4
221.13277	2.0
223.14856	4.7
225.16483	2.6
235.14850	2.4
237.16328	2.4
239.18062	1.4
251.17909	2.0
255.17429	1.4
259.20645	1.3
269.18951	1.4
273.18506	3.0
275.20120	2.4
283.20462	1.4
285.03909	1.4
287.19974	1.8
297.22189	2.1
309.22217	2.0
311.23672	2.6
329.24814	1.5
335.23676	2.3
367.17892	1.7
417.31589	6.6
435.32471	17.9
453.33649	6.9
471.34570	3.9
491.35065	1.5
509.36459	10.2
527.37274	100.0
528.37842	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01874	2.0
55.05504	16.5
57.03426	4.9
57.07059	2.4
65.03910	2.1
67.05138	1.8
67.05494	28.6
69.07062	10.7
71.04982	2.4
79.05482	18.0
81.03397	1.7
81.07045	29.2
83.04962	2.4
83.08611	7.7
85.06513	1.4
91.04916	1.7
91.05467	20.9
91.82918	0.7
93.07036	20.0
95.04964	3.7
95.08011	1.3
95.08594	16.2
97.06509	3.3
97.10165	3.5
98.21470	1.6
105.07008	21.1
107.08585	10.7
109.06485	2.4
109.10133	8.8
111.08057	1.9
115.05517	1.1
117.07001	13.7
119.08562	14.6
121.06473	1.1
121.10128	6.8
123.08057	1.3
123.11697	1.6
125.09582	1.8
128.06210	3.5
129.06989	14.5
130.07780	1.1
131.08554	19.3
133.10115	12.1
135.07950	0.9
135.11693	4.0
137.09586	1.2
139.11165	1.3
141.06984	5.1
142.07768	4.7
143.08540	18.9
145.10106	18.7
147.08028	0.8
147.11636	5.8
149.09636	1.7
149.13275	2.9
153.07057	0.8
155.08527	12.6
156.09311	2.3
157.10107	16.6
159.11670	14.0
161.13260	2.1
165.07068	1.0
167.08566	3.8
169.10110	12.8
171.11659	15.8
173.13217	8.2
181.10071	5.5
183.11685	12.4
184.12434	1.1
185.13235	7.7
187.14880	3.3
193.10121	2.5
195.11688	5.8
196.99464	0.9
197.13199	9.0
199.11140	0.9
199.14859	6.0
207.11746	2.3
209.13252	5.7
211.11407	1.1
211.14778	5.9
213.16318	2.6
221.13242	2.9
223.14812	4.2
225.16467	2.1
227.18008	1.2
235.14731	2.0
237.16402	2.7
241.19601	1.2
249.16267	1.6
251.17952	1.2
257.19009	1.3
259.20578	2.0
265.19498	1.5
268.74548	0.8
279.21359	0.9
283.20410	2.0
285.18256	0.9
295.20471	0.9
297.22012	1.9
299.20068	1.2
309.21893	1.8
311.23712	2.2
313.21729	1.2
323.23645	2.0
327.23041	1.2
337.25412	1.4
339.23053	1.3
341.24826	1.5
349.25345	1.4
353.24570	1.6
355.26135	1.3
361.25284	1.2
365.24942	1.3
379.26099	1.5
407.33075	1.4
415.28436	1.3
417.31500	6.6
435.32516	20.5
453.33652	7.2
471.34647	2.8
473.33981	1.8
491.35431	2.1
509.36191	10.7
527.37256	100.0
528.37744	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.7
53.03926	1.6
55.01851	1.7
55.05498	13.3
57.03427	3.9
57.07051	1.3
60.58840	0.5
65.03915	1.3
67.05138	1.1
67.05491	20.7
69.03374	0.5
69.07051	8.6
69.70463	2.9
69.70869	1.0
71.04978	1.2
72.31189	0.5
79.05475	15.9
81.03423	0.7
81.07040	22.1
83.04954	1.4
83.08600	5.7
85.06511	1.3
87.26616	0.5
91.05460	15.6
93.07023	16.0
95.04936	2.1
95.08582	15.7
97.06509	3.1
97.10149	3.1
99.08075	0.6
103.05500	0.8
105.07012	15.8
107.04931	0.8
107.08564	8.3
109.06483	1.1
109.10139	7.3
111.08072	2.1
113.69629	0.6
115.05425	1.4
117.07002	11.0
119.08549	12.9
121.06481	0.5
121.10130	6.1
123.08022	1.0
123.11680	2.0
125.09629	1.2
128.06210	3.3
129.06975	13.2
130.07715	1.1
131.08542	17.8
133.10103	9.4
135.08041	0.7
135.11674	2.9
141.06955	4.0
142.07765	2.6
143.08527	16.6
144.09291	1.3
145.06439	0.8
145.10100	15.1
147.08023	0.6
147.11621	4.3
149.09648	0.6
149.13211	2.9
151.11194	1.5
153.06923	1.1
154.07735	0.7
155.08528	9.7
156.09251	1.2
157.10110	15.9
159.11668	10.8
161.09485	0.6
161.13251	2.1
165.06972	0.9
166.07779	0.7
167.08522	3.5
168.09290	0.8
169.10088	12.2
171.08020	0.6
171.11646	12.1
173.13225	7.0
175.11176	0.8
175.14720	0.9
177.12698	0.9
179.08539	1.6
181.10103	5.0
182.10832	1.2
183.11662	10.5
185.13213	7.8
187.14757	2.7
193.10066	1.9
195.11668	4.9
195.13461	0.8
196.12402	0.9
197.13243	8.4
199.14784	5.1
201.16353	1.1
203.10045	0.6
207.11676	1.9
209.13193	4.2
211.14706	3.6
213.16379	2.6
215.17879	0.7
221.13287	2.1
223.14732	4.1
225.16357	2.3
227.14323	0.7
227.17970	1.2
235.14743	1.4
237.16284	2.3
239.17899	1.5
249.16393	1.2
251.17998	1.0
253.19518	0.7
259.20526	1.6
263.17902	0.7
265.19516	1.2
277.19424	0.6
283.20383	0.9
293.22223	0.7
295.20526	1.3
297.22110	1.6
299.20041	1.1
307.20514	0.8
309.22098	1.5
311.20142	0.8
311.23755	1.5
313.21597	0.9
315.23187	1.1
323.23779	1.9
325.21570	0.9
325.25143	1.0
327.23062	1.2
335.23364	0.9
337.25101	1.2
339.22980	0.9
339.27051	0.8
341.24866	1.6
347.23651	0.9
349.25708	0.7
353.24747	1.1
361.24954	0.6
367.26013	0.7
407.33084	0.7
411.72806	0.6
417.31451	6.2
435.32565	16.4
453.33661	9.4
471.34671	2.1
473.33942	1.8
491.35095	1.9
509.36246	11.2
527.37189	100.0
528.37415	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64810	0.9
53.03926	1.9
55.01850	2.2
55.05281	1.0
55.05508	13.0
55.97429	0.8
57.03419	3.9
57.07063	1.9
61.62436	0.8
62.59972	0.8
65.03928	1.5
67.05499	22.2
69.07066	10.5
69.27134	0.8
71.04973	2.0
71.59283	2.1
71.95308	0.8
79.05487	15.8
81.06600	1.7
81.07047	20.2
83.04957	1.1
83.08611	5.2
83.27436	0.8
85.06541	1.9
87.04384	0.9
89.86150	1.0
91.05476	15.8
93.07035	15.9
95.04956	1.8
95.08591	13.0
97.06535	1.1
97.10148	4.2
103.05404	1.1
105.07018	18.2
107.08587	8.4
109.10141	6.5
111.08057	1.1
115.05472	1.3
117.07010	10.5
119.08569	12.7
121.10120	6.5
123.08058	1.9
123.11681	1.7
125.09651	1.4
127.07458	0.8
128.06229	2.7
129.06993	13.3
130.07774	0.9
131.08557	20.1
133.10118	8.7
135.11662	3.4
140.37946	0.8
141.06969	5.2
142.07770	3.4
143.08540	16.6
145.10120	14.6
147.11665	5.6
149.09621	1.0
149.13254	2.2
153.06950	1.0
154.07800	1.1
155.08531	10.4
156.09325	2.0
157.10120	13.0
159.11674	11.5
161.13255	1.5
163.11079	1.0
166.07787	1.0
167.08537	3.1
169.10091	10.8
171.11690	11.5
173.13248	6.2
175.14720	1.0
179.08537	1.6
181.10074	5.7
182.10962	1.1
183.11673	11.5
184.12109	0.9
185.13261	8.1
187.11046	1.3
187.14839	4.5
190.07654	0.9
193.10124	2.1
194.10913	0.9
195.11717	5.3
195.13298	1.1
197.13252	8.0
199.14871	5.2
201.16339	1.2
207.11765	1.9
209.13242	3.9
211.14848	4.8
213.16385	2.0
219.11600	1.1
221.13229	2.2
223.14818	4.2
225.16347	1.8
235.14868	2.3
237.16356	1.4
239.18021	2.0
241.19489	1.2
249.16396	1.1
251.18048	1.8
259.20502	1.1
263.17996	1.1
265.19614	0.9
267.17395	1.2
283.20523	1.2
289.19064	1.0
295.20392	1.3
297.22092	1.6
305.19131	1.2
309.22141	1.2
311.23550	1.8
313.21759	1.1
315.23294	1.2
323.23654	2.3
325.25223	1.4
327.23083	1.2
337.25348	2.0
339.23093	1.5
365.24420	1.2
367.26123	2.0
407.33270	1.3
417.31598	7.7
435.32629	17.5
453.33603	7.7
471.34671	3.3
473.33997	1.4
491.35394	2.5
509.36307	11.8
527.37262	100.0
528.37866	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01847	1.7
55.05502	12.1
57.03431	3.6
57.07043	1.6
61.99588	0.7
65.03921	1.7
65.23755	0.7
67.05490	22.4
69.03412	1.0
69.07049	9.9
70.32346	3.5
71.04973	1.1
79.05482	17.2
81.03398	0.8
81.07039	20.9
83.04950	2.4
83.08609	5.5
85.06539	1.3
91.05463	16.8
93.07026	15.4
94.41002	0.7
95.04949	2.8
95.08585	15.8
95.09194	0.9
97.06512	3.0
97.10165	2.5
97.70908	0.8
105.07011	16.3
107.04961	1.0
107.08565	9.3
109.06521	1.0
109.10153	7.7
115.05422	1.2
117.07001	11.3
119.08558	14.1
121.10118	5.6
123.08051	1.2
123.11704	2.0
125.09593	1.1
128.06212	2.4
128.84731	0.8
129.06979	11.5
130.07773	1.5
131.08545	16.9
133.10103	7.4
135.08012	1.6
135.11678	3.2
137.09586	1.2
141.06952	4.5
142.07764	3.0
143.08539	16.0
145.10100	16.5
147.11626	4.2
149.09492	0.7
149.13252	2.3
154.07744	0.8
155.08501	9.5
156.09364	1.1
157.10101	14.0
159.11673	11.3
161.13249	2.6
167.08549	3.9
169.10109	9.9
170.10854	1.2
171.11671	13.2
173.13203	7.5
179.08601	1.3
181.10097	4.4
183.11673	10.6
185.13222	8.5
187.14787	2.9
193.10110	2.1
195.11679	4.2
197.13210	6.9
199.11296	0.9
199.14809	4.4
207.11670	1.6
209.13237	4.2
211.14769	4.2
213.16385	2.4
221.13272	2.1
223.14807	3.6
225.16371	1.7
233.13391	0.8
235.14699	1.2
237.16405	1.8
239.17941	0.8
249.16374	1.2
251.17902	1.3
259.20514	1.4
269.19174	0.8
271.23883	0.8
283.20499	1.5
295.20578	1.0
297.22205	1.3
299.19702	1.0
309.21945	1.2
313.21567	1.2
315.23056	1.7
321.22247	1.0
323.23749	1.9
327.23123	1.1
329.24918	1.0
337.25308	1.7
341.24802	1.6
353.24823	1.1
365.24857	1.3
367.26321	1.0
388.07181	0.9
407.33252	1.0
417.31476	6.4
425.34030	1.2
435.32513	15.3
439.18872	0.9
453.33542	8.9
471.34836	3.7
473.34122	2.6
491.35193	1.2
509.36307	8.8
527.37250	100.0
528.37976	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	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.80795	0.8
55.01866	2.3
55.05239	1.0
55.05503	14.8
57.03423	3.1
57.07076	2.4
59.55639	1.0
65.03931	1.1
67.05497	24.0
69.03406	1.0
69.03798	1.2
69.07057	12.4
71.04986	1.4
79.05478	20.1
81.03387	1.7
81.07040	27.2
83.04964	1.7
83.08602	6.3
85.06547	1.0
89.06017	1.1
91.05461	18.0
93.07037	18.0
94.96233	1.1
95.04948	3.5
95.08592	21.8
97.06516	1.7
97.10167	4.0
105.07008	20.3
107.08573	12.7
109.06521	1.2
109.10133	6.8
111.08037	1.6
115.05424	1.3
117.06998	13.6
119.08566	14.2
121.10123	7.5
123.08045	1.5
123.11739	1.7
125.09573	1.4
128.06175	4.3
129.06995	15.0
130.07805	1.5
131.08543	21.8
133.10109	9.7
135.11687	3.8
141.06946	5.4
142.07771	3.9
143.08539	19.2
145.10095	19.1
147.11674	5.8
149.09665	1.0
149.13255	1.6
153.06894	1.5
154.07825	1.3
155.08522	14.5
157.10112	21.4
159.07985	1.6
159.11676	13.2
159.63383	0.9
161.13295	1.5
163.14833	1.5
167.08533	5.4
168.09335	1.0
169.10118	14.3
171.11650	14.6
173.13228	7.7
175.11140	1.2
179.08469	1.5
180.09219	1.0
181.10077	6.8
182.10680	0.9
183.11678	13.0
185.13255	10.4
186.13884	1.0
187.14832	2.0
193.10127	2.2
195.11671	5.7
197.13223	10.2
199.14767	6.5
201.16342	1.6
207.11740	2.6
208.12434	0.9
209.13257	5.3
209.15149	1.0
211.14769	6.0
213.16377	3.3
221.13243	2.8
223.14874	3.9
225.16383	2.6
229.80827	1.0
235.14864	3.0
237.16382	2.4
238.09467	1.1
239.17932	1.2
251.10973	0.9
265.19464	1.1
275.43140	1.0
279.21252	1.3
297.22171	1.2
301.21545	1.2
309.22092	1.9
311.23676	1.7
313.21500	1.2
323.23761	2.1
325.21613	1.2
335.23782	1.4
337.25244	1.4
417.31296	7.2
435.32562	20.9
436.33197	1.8
453.33652	9.9
471.34717	2.6
473.33899	2.1
491.34927	1.8
509.36447	10.2
527.37250	100.0
528.37415	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	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01855	4.0
55.05504	20.2
56.43704	2.1
57.03433	8.7
61.02918	21.0
65.03934	3.8
67.05493	27.4
69.03415	7.6
69.07056	8.5
70.72197	5.9
70.91963	1.6
71.04971	4.4
73.02912	8.7
74.67522	1.6
79.05480	27.6
81.03400	5.1
81.07045	42.9
83.04959	6.1
83.08593	7.1
85.02884	19.9
86.26084	1.5
87.04413	1.6
91.03946	9.1
91.05465	47.9
91.06023	2.4
93.06507	2.5
93.07035	31.3
95.04942	6.8
95.08596	23.3
97.02870	12.5
97.06500	4.7
97.10150	5.0
103.05449	3.2
105.03370	1.7
105.07011	34.7
107.04939	6.2
107.08579	13.7
109.02860	2.6
109.06497	14.9
109.10138	6.9
111.08079	3.4
115.03912	1.9
115.05426	4.3
116.06220	1.8
117.07010	22.8
119.08572	25.4
121.06475	7.9
121.10107	8.4
123.08041	8.5
125.05974	1.9
125.09629	3.4
127.03870	2.7
128.06195	12.4
129.06981	17.2
130.07739	5.9
131.08546	48.8
133.06477	7.1
133.10091	12.6
135.08040	4.9
135.11652	3.8
137.05882	1.7
139.11145	2.5
141.06953	9.6
142.07780	3.1
143.08537	56.1
145.06480	1.9
145.10092	54.8
147.08049	10.4
147.11658	6.1
149.09575	5.7
151.07510	2.1
151.11237	1.6
155.08528	7.0
157.10112	15.5
159.08057	5.4
159.11662	14.6
161.09583	12.7
163.11156	6.4
167.08629	2.2
169.10039	10.3
171.08017	2.5
171.11644	12.2
173.09613	4.3
173.13155	1.9
175.11142	7.6
177.12721	5.8
181.10094	8.3
183.11632	7.6
185.13235	5.8
195.11679	15.6
199.11160	2.5
199.14824	2.7
201.12723	1.9
203.12547	1.6
209.13165	2.7
211.14807	2.1
213.12657	2.0
227.17941	8.3
237.16414	18.3
245.18933	4.2
255.17398	21.4
273.18469	60.7
283.15347	1.6
285.03741	2.4
291.19476	11.0
347.22104	100.0
365.23138	6.6
491.37531	1.6
527.28613	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	527.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	17.0
55.01851	23.4
55.05503	49.0
57.03427	53.7
61.02927	28.9
67.05492	84.2
69.03422	50.9
69.07059	45.0
70.41476	19.0
70.41889	11.0
71.01353	5.8
71.04971	30.2
73.02888	23.5
79.05479	84.3
81.03403	63.8
81.06608	7.0
81.07046	96.9
83.04986	26.1
83.08601	18.1
85.02898	57.9
85.06503	9.9
91.03919	16.6
91.05462	89.5
93.07027	65.1
95.04977	34.9
95.08601	47.8
97.02877	53.5
97.06520	41.8
97.10139	22.6
98.20787	6.8
99.04440	16.7
99.08064	16.3
101.02352	7.8
102.74999	5.4
103.03921	7.0
104.80824	5.1
105.03345	17.3
105.04436	6.7
105.07009	74.1
107.04932	32.2
107.08572	55.5
109.02881	11.8
109.06502	33.1
109.10127	24.4
111.04374	10.9
111.08073	6.7
115.05391	7.3
115.07538	15.4
117.07024	37.0
119.04911	5.6
119.08555	70.8
121.06481	24.1
121.10106	31.6
123.04400	6.1
123.08051	28.7
125.09641	9.9
127.03908	32.3
128.06160	8.1
129.06995	24.1
131.08546	51.2
133.06444	20.2
133.10114	33.5
135.08006	34.5
135.11652	16.9
137.09576	10.2
141.06911	6.2
143.08533	20.0
145.04967	9.1
145.06436	11.9
145.10046	35.2
147.08017	20.5
147.11673	13.6
149.09566	20.1
151.07457	8.0
155.08405	6.0
157.10103	25.2
159.08009	16.6
159.11687	19.9
161.09630	28.3
163.11148	18.6
169.10083	10.1
171.08002	5.5
171.11668	14.2
173.09552	10.8
173.13152	9.5
175.11159	13.2
177.12744	7.5
181.10066	7.0
183.11612	7.4
185.09595	10.8
185.13220	9.0
187.11130	9.5
189.11171	12.5
189.12711	8.6
191.10774	5.9
193.12157	9.4
201.07533	14.6
201.12650	11.7
217.15826	12.2
223.13132	5.8
227.12694	7.0
227.17891	12.3
233.15421	9.6
245.18964	12.7
255.17412	16.6
263.20200	8.4
273.18408	100.0
285.03836	13.6
285.18243	5.5
291.19476	71.1
307.19354	8.8
315.19397	10.0
329.13879	5.1
347.22104	45.3
365.23163	99.7
381.20346	6.3
407.24271	7.6
417.22263	8.2
450.47989	5.4
481.71588	6.0
491.26453	9.4
509.26770	17.2
527.28552	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.7
51.02373	1.0
53.03753	0.5
53.03946	5.7
55.01863	1.7
55.05495	1.8
57.03415	0.8
58.32565	0.5
61.02895	0.6
64.16080	0.5
67.05499	1.4
69.03419	2.1
69.07047	0.7
70.06582	1.3
70.64825	1.8
77.03912	2.1
79.05479	1.1
81.03400	2.6
81.07041	1.8
83.04961	0.7
83.08614	1.5
84.08143	0.7
85.02905	1.1
90.91082	0.5
91.05454	1.2
92.99747	0.5
93.07025	1.1
95.04955	11.3
95.08588	1.5
97.02883	2.3
97.06550	0.5
98.09774	0.5
100.11254	3.4
105.03381	89.5
105.04517	2.8
105.07008	1.3
106.03719	0.8
107.01309	0.8
107.08566	1.9
109.02867	1.5
109.10127	0.6
111.08066	0.5
117.06969	0.6
119.08557	0.9
120.08171	0.5
121.02861	1.3
127.03890	0.9
135.08038	0.7
137.05882	0.6
143.08516	0.5
153.01811	5.4
169.02847	2.1
171.04416	1.5
182.15381	2.0
187.03873	0.9
201.05492	0.8
209.05952	1.4
209.11639	0.6
209.16377	0.7
210.14886	1.7
211.03929	1.0
215.03380	1.5
217.04973	0.8
219.02910	2.7
221.05965	1.6
222.84608	0.5
225.05406	2.0
227.03333	0.9
229.05003	0.6
231.02798	0.9
237.05414	2.2
241.05060	0.7
243.02869	1.1
245.00670	0.8
245.04553	3.4
253.04878	1.4
255.06374	0.8
257.04434	8.1
260.03140	0.7
261.03894	7.8
263.01865	6.0
265.04959	1.6
269.04535	1.2
269.46045	0.6
271.02499	2.7
271.05966	3.5
273.03909	100.0
273.18497	0.8
274.04315	2.8
277.04733	0.8
281.04330	1.9
283.05994	2.8
285.03918	15.5
287.01852	5.1
287.05466	2.1
289.03336	5.3
291.19550	0.7
293.04288	0.9
295.05911	3.0
297.03912	10.2
298.04370	0.8
299.01828	7.6
299.05453	9.9
301.03366	2.4
303.04858	2.7
305.04782	0.6
310.04749	2.5
311.05441	5.9
313.03522	0.7
313.07013	2.0
315.04999	0.5
321.03824	0.9
323.05420	4.8
325.03357	1.7
327.01056	0.6
327.04929	12.0
337.03583	0.8
339.04962	92.4
340.05383	3.4
341.06470	1.4
343.03958	0.6
346.89252	0.6
347.22397	0.8
351.04947	13.0
352.05374	0.7
357.06097	2.5
365.23102	0.8
369.06003	12.4
377.06317	1.3
387.07077	17.8
388.07599	0.8
405.08069	2.7
407.07495	1.4
461.08487	0.7
473.08762	3.0
509.10648	0.7
527.11847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01865	8.1
55.05235	1.4
55.05503	24.1
57.03430	13.8
59.05008	1.1
61.02913	15.3
67.05495	27.0
69.03415	20.7
69.07056	26.3
69.70918	2.8
69.71336	5.3
71.01334	3.2
71.04987	5.0
73.02897	8.8
77.03929	1.2
79.05022	1.5
79.05481	28.6
79.05932	2.0
81.03403	27.1
81.07042	26.8
83.04980	9.6
83.08614	11.2
85.02895	24.6
85.06522	1.1
87.04484	1.3
91.03949	5.9
91.04498	0.8
91.05457	20.3
93.07030	21.3
95.04952	15.3
95.08589	12.4
97.02876	26.0
97.06517	6.3
97.10145	15.2
99.04420	4.6
99.08096	1.7
101.02374	6.0
103.03933	3.3
105.03401	1.2
105.07020	15.7
107.04929	8.4
107.08569	16.7
109.02879	7.6
109.06493	7.1
109.10124	7.6
111.04430	3.8
111.08084	3.3
113.05992	1.4
115.03963	1.7
115.05482	1.6
117.06996	7.6
119.04925	1.6
119.08563	15.8
121.06478	6.3
121.10126	6.9
123.04404	3.4
123.08047	8.5
123.11723	1.7
125.09609	14.4
127.03893	10.5
127.07519	1.5
128.06236	1.3
129.05469	2.6
129.06967	4.5
131.04916	1.0
131.08539	10.2
133.06485	3.8
133.10130	6.6
135.08002	7.8
135.11665	3.9
137.05898	1.3
137.09586	3.3
142.07813	1.6
143.08540	3.2
143.10599	1.1
145.04924	2.7
145.06503	1.9
145.10118	8.0
147.08043	6.8
147.11662	4.6
149.05980	1.4
149.09613	4.3
149.13243	2.0
151.07506	1.5
151.11185	1.2
153.09096	1.8
157.10103	4.7
159.08041	2.0
159.11703	5.3
161.09616	4.1
163.11073	5.1
165.09090	3.2
171.10229	2.1
171.11665	3.0
173.04436	2.4
173.09633	1.8
173.11792	1.4
173.13300	2.2
175.11211	3.7
179.10728	1.1
181.12340	1.2
183.06531	3.0
185.09578	1.0
185.13191	1.4
186.84378	0.9
187.11113	2.0
189.09436	1.4
189.11171	12.2
189.12630	1.4
193.12233	8.9
195.13770	1.7
201.07559	2.5
201.12726	1.2
205.12256	2.2
211.13216	7.8
223.13260	15.5
227.12691	5.3
235.13263	1.6
245.18922	2.1
249.14838	3.1
255.17456	2.8
263.20120	2.1
267.15945	2.8
273.15323	1.4
273.18439	25.7
275.20184	1.0
277.14551	1.2
291.19498	100.0
292.19870	2.4
292.67224	0.9
295.15137	1.1
315.19449	1.9
347.22098	6.4
365.23181	33.8
393.22873	2.2
407.23984	2.2
429.21259	1.9
435.23746	1.5
473.25311	2.1
509.27194	3.8
527.28326	19.3
536.44794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1178
Annotation	2'-Benzoylmangiferin
Peak:m/z	Relative Intensity
50.01579	0.6
51.02364	0.9
53.00303	0.1
53.03938	4.1
55.01850	0.3
55.99763	0.1
57.03434	0.2
61.02919	0.3
68.99815	0.1
69.03414	1.0
70.06589	0.1
71.23345	0.3
73.02900	0.2
77.03897	1.0
79.05473	0.2
80.06737	0.1
81.03406	0.7
83.08573	0.1
85.02894	0.3
85.53600	0.1
86.63416	0.1
91.05461	0.1
92.16402	0.1
95.04950	10.2
97.02882	0.4
100.11241	0.2
103.03944	0.2
105.03374	100.0
105.04509	2.4
106.03720	1.2
107.01292	0.3
109.02859	0.3
121.02811	0.1
123.04411	0.2
127.03902	1.1
141.67719	0.1
142.67447	0.1
145.04984	0.2
153.01849	0.2
155.04858	1.3
156.95174	0.1
171.04401	0.2
173.06000	0.3
183.04404	1.1
187.03934	0.2
189.05426	0.5
197.05910	0.2
201.05458	1.1
211.03879	4.6
212.04251	0.2
215.03267	0.2
219.02676	0.1
225.05510	0.4
229.04927	2.6
231.06425	0.2
239.03368	0.6
239.05954	0.1
243.02846	0.2
245.04483	0.3
249.07565	0.3
253.04912	0.4
255.02966	0.1
256.03656	0.7
257.04404	25.4
258.04837	0.6
261.03925	1.9
263.01852	0.3
267.02844	1.6
267.08588	3.3
269.04416	0.2
271.05936	1.1
273.03888	7.6
274.04272	0.3
281.04367	0.5
285.03882	70.0
286.04263	2.0
287.01825	0.5
287.05484	0.4
295.05927	0.4
297.03806	1.0
298.04736	0.3
299.01837	0.3
299.05392	2.9
299.08789	0.2
300.05765	0.1
301.03406	0.2
303.05023	0.9
311.05353	0.3
313.03705	0.2
313.07074	0.4
315.05447	0.2
323.05484	0.5
325.03369	0.3
327.04926	4.5
339.04941	1.5
341.06537	0.2
351.04926	1.0
351.78299	0.1
357.05963	0.5
361.07050	0.3
369.05945	2.6
379.08102	0.3
387.07056	1.1
405.08008	1.2
407.07538	5.4
408.07813	0.3
480.12982	0.1
509.10638	0.3
527.10718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01860	3.9
55.05505	13.4
57.03420	3.9
57.07064	5.8
62.76758	3.0
67.05496	25.1
69.03434	5.3
69.07047	25.2
69.50227	24.8
69.50639	6.3
70.06580	7.9
79.05482	17.1
81.03429	7.8
81.07049	100.0
83.08610	10.0
84.08127	5.6
85.02901	11.1
85.06528	10.4
86.09699	6.2
91.05473	9.5
93.07026	25.6
95.04963	4.8
95.08598	48.9
96.08125	4.1
97.02888	7.8
97.06541	6.5
97.10165	6.8
99.00869	3.7
99.08111	5.1
105.03390	4.5
105.07003	17.6
107.08582	14.3
107.61994	3.2
109.02935	3.4
109.10139	30.3
110.09667	5.4
111.08073	9.4
111.11708	24.8
117.06982	4.1
119.08592	7.6
120.08114	4.6
121.10139	18.9
123.08055	5.5
123.11700	14.9
125.09592	4.2
129.06984	4.0
131.08594	3.3
133.10132	5.5
135.07962	3.7
135.11690	8.3
137.05923	3.6
137.13240	51.1
138.09085	5.8
139.11131	3.4
147.11647	5.1
149.06099	3.8
149.09506	4.1
149.13258	11.0
155.14285	33.2
161.06017	4.1
161.13206	3.6
163.14763	5.2
164.45288	3.3
165.12746	7.7
166.08618	8.7
167.06926	4.2
173.15300	5.6
175.07535	6.2
177.16306	3.6
195.06561	6.1
217.19559	5.1
223.09654	4.6
273.03879	5.1
273.25821	6.7
285.03857	4.0
289.05249	6.4
291.26862	13.3
302.09604	3.7
303.04932	3.4
309.27759	3.6
313.11664	3.5
317.17404	7.2
327.28824	8.3
327.37103	4.7
329.11215	5.0
361.13919	15.0
450.84241	3.9
489.28238	6.0
525.23035	11.4
526.22162	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	526.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
55.01865	2.5
55.05485	2.5
57.03424	2.3
61.02904	2.3
64.21922	0.8
65.03944	1.9
67.05484	4.3
69.03414	6.7
69.07042	1.4
71.04971	2.3
71.70893	1.4
71.71297	1.1
73.02902	1.9
79.05473	3.6
81.03398	9.2
81.07029	3.7
82.07370	1.3
83.04973	1.0
85.02891	20.3
87.00815	8.1
91.05465	100.0
92.05788	1.1
93.07030	3.2
95.04939	1.7
95.08578	2.7
96.19714	1.0
97.02878	14.8
97.06495	1.0
99.04425	4.1
99.38173	0.9
105.01863	5.1
105.03391	1.2
105.07010	3.8
107.04971	1.5
107.08564	2.5
109.02863	7.9
109.10171	1.5
111.04408	1.8
117.01846	1.4
117.06985	1.5
119.08535	2.7
119.18521	0.9
127.03891	16.5
129.01833	1.7
129.06926	1.6
131.07097	0.9
131.08496	2.3
133.10106	1.6
145.04922	8.4
145.10068	1.5
147.02847	1.2
147.46852	0.9
159.02823	5.9
163.11240	1.8
183.02858	5.7
228.43375	1.1
231.04909	2.8
261.04184	0.9
261.07520	3.8
267.06366	1.2
285.04376	1.0
285.07489	4.7
314.42517	1.0
327.08453	2.1
348.41449	1.0
364.21786	1.1
508.27298	1.0
526.26691	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	525.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05505	21.1
57.03418	7.9
57.07073	4.2
67.05492	26.7
69.03407	7.4
69.07053	29.4
70.06562	3.7
70.84272	2.2
70.84598	5.2
71.04981	6.7
79.05486	16.8
81.03394	6.4
81.07044	36.8
83.04957	3.5
83.08595	21.3
85.02897	7.5
85.06501	4.0
86.09704	3.2
89.82413	1.8
90.27614	2.2
91.05468	14.4
93.07032	19.8
95.04952	3.8
95.08595	28.5
97.02894	4.3
97.06505	6.3
97.10142	15.5
99.04417	2.6
99.08096	4.6
105.07011	11.8
107.08576	15.3
109.06467	2.2
109.10149	16.9
111.04524	2.6
111.08006	3.1
111.11698	3.1
119.08555	10.6
120.04430	2.0
120.08085	4.9
121.10131	12.5
123.08064	2.9
123.11671	5.6
125.09572	3.1
127.03904	3.9
131.08516	2.0
133.10103	12.0
135.07997	3.3
135.11665	10.9
137.05972	2.9
137.09633	4.1
137.13246	3.0
145.10034	2.6
147.11682	8.6
147.61252	2.0
149.13226	3.4
151.11127	4.2
153.12679	2.2
161.13216	6.3
162.85059	2.3
167.07036	3.3
193.08493	2.7
217.19493	9.3
235.20580	8.4
237.96341	2.0
253.21510	10.5
273.03946	3.6
289.18216	2.8
309.24048	3.4
327.08359	3.4
327.25250	100.0
345.26349	12.9
363.21594	4.0
425.12534	2.7
525.31049	12.0
525.37775	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	524.3705
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07054	2.2
58.06590	2.1
60.08155	15.9
67.05483	0.9
69.29485	0.8
70.49566	0.9
70.89793	3.2
71.07362	6.5
71.08620	2.5
81.07029	2.2
86.09691	46.6
95.08585	1.9
98.98434	3.7
104.10726	99.5
109.10120	1.1
124.99982	24.7
137.49783	1.0
179.18021	0.9
184.07317	100.0
341.30621	1.4
470.24695	1.1
506.36023	10.1
524.37073	30.1
525.85486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.6
55.01861	10.6
55.05500	35.6
57.03426	14.5
58.76876	1.7
61.54005	1.6
64.47823	1.5
65.03902	3.0
67.05137	2.7
67.05489	46.4
69.03400	7.4
69.07056	18.0
70.06582	2.2
70.66277	5.8
71.04968	4.4
79.05482	47.3
81.03414	8.7
81.07042	100.0
83.04944	7.0
83.08605	27.1
85.02899	8.6
85.06541	3.0
91.05463	40.8
93.07034	33.1
95.01324	25.4
95.04958	15.6
95.08004	2.3
95.08588	29.3
97.02859	5.6
97.06518	11.4
97.10146	3.5
99.08089	4.5
103.05444	2.6
105.07012	39.7
107.04961	12.3
107.08586	23.8
109.02828	2.8
109.06499	27.9
109.10133	11.2
111.04436	4.0
111.08067	8.3
113.02350	3.4
116.04722	2.0
117.06987	9.6
119.08557	31.4
121.06490	8.9
121.10133	23.5
123.08054	9.1
123.11665	6.1
125.09624	4.9
129.01796	3.8
129.05461	6.9
129.06966	8.0
131.08545	18.2
133.06456	3.0
133.10106	20.8
135.08025	6.9
135.11661	7.5
137.05988	2.0
137.09541	5.2
137.13203	2.6
139.11201	2.4
141.01791	12.5
141.07011	2.3
143.08514	6.2
145.06441	2.0
145.10121	12.1
147.08000	4.8
147.11670	26.0
149.09601	9.0
149.13245	7.9
151.11171	4.0
155.08530	2.5
157.06502	2.1
157.10091	7.4
159.02927	2.1
159.08060	3.0
159.11658	7.0
161.09543	3.8
161.13182	5.0
163.03983	1.9
163.07396	2.4
163.11156	12.0
163.14716	2.2
165.09102	2.2
165.12758	13.4
169.10129	4.5
171.08136	2.2
171.11650	3.2
173.09579	4.7
173.13226	5.0
175.11148	7.7
177.03952	3.8
177.12701	4.2
179.10550	2.5
183.11700	3.2
185.11716	1.8
185.13242	2.1
187.11040	3.4
191.10593	3.4
191.14250	2.7
193.12158	9.0
197.09547	3.4
199.11160	1.8
215.10652	2.1
223.81332	1.8
229.19521	4.2
239.17990	2.5
243.10014	4.1
247.20566	5.1
257.18985	8.0
261.11179	2.8
266.51736	1.9
271.16830	2.3
275.17136	3.5
275.20032	52.4
289.10715	6.1
293.20978	2.5
307.11703	4.5
323.14606	2.2
325.12766	11.9
349.23547	3.1
363.21384	3.6
415.20590	2.0
433.22159	19.2
451.23029	5.8
525.26910	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29528	1.0
53.03936	1.7
55.01854	2.3
55.05484	1.5
57.03409	2.0
65.03938	1.9
67.05490	2.7
69.03411	1.6
70.06579	1.9
71.71133	1.6
75.04469	2.6
75.69147	0.9
79.05474	8.1
81.03409	1.3
81.07046	2.5
85.02892	2.4
91.05463	10.1
92.06250	1.1
93.03387	6.9
93.07024	3.3
95.04944	4.7
95.08604	1.9
97.02863	2.0
97.06548	1.5
103.05453	11.3
105.07011	20.9
106.04162	11.2
107.04926	4.5
109.02831	2.3
109.06488	2.2
117.06977	1.2
118.04136	20.4
119.04926	2.6
120.05679	2.1
121.06500	16.2
122.03575	1.2
122.07262	2.9
123.04469	1.3
123.08009	1.7
124.05202	8.3
125.05972	3.9
131.04907	3.6
132.05690	1.4
133.06462	26.7
134.03586	2.1
134.07207	2.0
135.04416	5.3
135.08026	5.3
137.05962	5.2
138.05548	1.1
139.07512	1.1
147.04350	1.7
148.05096	2.6
149.05956	24.4
150.06740	10.8
151.07518	3.9
153.09085	6.2
160.05191	1.2
161.05959	6.4
162.01241	1.3
163.03903	1.9
163.07524	3.0
165.09088	22.7
167.06999	6.1
175.07664	0.9
177.03979	1.6
177.05444	17.6
181.08601	12.7
191.06961	5.0
192.07802	1.5
193.08577	100.0
194.08871	2.1
209.08060	78.2
223.04190	11.1
353.13745	2.0
361.83533	1.1
524.28668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01859	1.2
57.03414	2.1
57.90572	0.9
58.31142	1.0
65.03902	1.8
67.05492	2.6
69.07057	0.9
69.91190	1.6
69.91605	4.5
70.06564	1.9
72.24153	1.0
75.04444	1.5
79.05481	6.3
81.07043	2.2
84.04435	0.9
84.08119	1.5
85.02871	2.3
86.09660	1.6
91.05465	9.0
93.03399	4.8
93.07046	4.7
95.04952	2.1
95.08596	0.9
97.06528	2.1
103.04825	1.3
103.05447	9.7
105.07004	18.3
106.04151	8.7
107.04980	4.6
109.02837	3.2
109.06513	1.3
115.05449	2.1
118.04147	19.5
119.04910	2.1
121.06485	12.4
122.07255	2.8
124.05206	9.9
125.05956	4.1
131.04895	3.5
132.05716	1.7
133.06468	23.8
134.03574	2.0
134.07222	2.8
135.04388	3.0
135.08098	4.6
137.05948	4.0
139.07538	1.7
148.05109	1.4
149.04843	1.7
149.05957	19.3
150.06741	8.8
151.07433	4.6
153.09079	4.8
161.05923	5.5
162.01265	1.3
163.03963	2.2
163.07509	3.1
165.09102	20.4
167.07018	5.3
171.32365	1.1
177.05444	15.1
181.08591	10.7
191.07005	4.7
192.07823	1.0
193.08577	100.0
209.08064	71.8
210.08368	1.0
223.04208	8.0
312.09030	1.1
353.13821	1.5
375.14877	1.1
385.16290	1.3
427.36353	0.9
537.07385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66735	1.3
55.01864	5.3
56.31492	1.4
58.02288	1.4
65.03919	3.2
67.05510	2.0
68.99773	3.1
69.03421	2.7
69.92628	8.7
70.06593	2.4
81.03400	6.0
83.04959	3.2
85.02893	16.7
86.06023	2.6
86.09679	2.2
87.04465	8.4
93.03399	16.2
95.04962	3.1
97.02885	12.5
98.21687	1.4
103.05428	4.5
104.07086	16.4
105.06976	1.9
107.04940	26.7
109.02866	18.2
111.04436	10.7
119.04888	7.1
121.02845	32.0
121.06474	6.2
123.00728	1.6
123.04417	2.4
127.03873	2.0
131.04906	7.8
133.02824	1.8
135.04414	23.9
136.07550	2.4
139.03035	1.3
139.03917	12.8
141.01843	1.9
147.04373	6.9
149.02293	2.3
149.05966	4.1
151.03894	8.3
159.04402	6.1
161.02318	4.7
163.03922	4.0
165.01808	32.3
165.24713	1.4
169.01297	1.7
173.34567	1.4
174.16666	1.5
175.03818	7.6
177.00336	2.5
177.01805	21.2
177.05423	12.8
179.03378	3.4
181.04935	2.5
183.02855	23.9
187.03856	2.0
189.01823	6.3
191.03264	2.0
193.04958	3.2
195.02870	100.0
203.03400	14.8
205.04941	4.2
207.02864	39.5
215.03389	6.3
217.04922	2.9
219.02881	6.8
221.04414	12.7
223.02452	1.8
225.03922	40.8
227.03316	4.0
231.02869	40.6
233.04346	2.2
235.05988	4.0
237.03996	2.0
243.02896	11.0
245.04488	6.2
249.03923	27.3
255.02861	6.0
259.05969	17.4
261.03876	14.0
263.05408	2.2
271.05981	27.2
273.03909	30.6
279.05090	2.0
283.05960	3.2
291.04926	28.9
301.07025	36.1
309.05960	7.1
325.07025	57.1
327.07156	2.8
337.07239	2.2
355.08090	50.4
367.03629	2.0
367.08105	23.3
385.09128	30.4
403.10187	96.6
404.10333	1.7
418.95078	1.6
421.11240	77.8
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
51.86883	2.0
52.66191	2.1
53.03938	2.4
54.29437	1.9
55.05504	20.9
57.03411	7.5
57.06794	3.3
57.07063	43.2
63.32485	2.0
67.05492	35.4
68.26337	1.9
69.07052	14.3
71.04984	3.2
71.08622	29.7
71.70986	2.9
74.11961	2.2
79.05466	15.8
81.03404	49.7
81.07047	39.6
83.04977	10.1
83.08610	32.9
85.02893	24.1
85.06505	3.0
85.10184	18.8
91.05463	22.8
91.38453	2.3
93.07035	16.0
95.04949	20.9
95.08598	33.4
97.06510	3.3
97.10153	10.8
99.84163	1.7
105.07017	17.7
107.04940	2.4
107.08569	5.5
109.06496	5.4
109.10137	19.2
111.04395	2.3
111.08060	9.2
111.11709	2.4
113.06024	2.5
119.08578	16.6
121.10110	8.5
123.08072	2.6
123.11654	6.6
129.06966	7.2
131.08549	6.2
133.10088	8.2
137.09563	2.3
137.13222	3.9
147.11646	13.3
149.09602	4.5
150.52144	2.2
157.10120	11.0
175.11246	12.2
185.92000	2.5
193.12201	49.3
211.13268	59.3
239.23697	8.4
267.15912	7.6
274.92654	2.4
277.21472	2.6
280.26581	2.2
282.16687	2.1
313.27213	5.3
358.52963	2.0
410.69388	2.1
523.39874	100.0
524.40192	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	523.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01140	5.2
67.05495	2.2
69.07049	1.1
69.49143	5.0
69.49570	3.2
70.06569	2.3
71.04984	1.1
72.04505	9.6
78.03779	10.1
79.05487	1.1
81.07034	2.7
83.08671	0.8
85.02872	1.6
85.06550	1.4
86.06044	1.6
86.09677	2.4
88.02204	4.2
88.03954	0.9
91.05485	1.2
93.07041	1.6
95.05005	1.4
95.08570	1.8
98.20752	2.0
99.05560	1.6
101.18732	0.9
102.03751	16.6
103.02156	0.9
107.08593	1.5
108.76480	1.0
109.10097	1.1
114.03739	1.8
120.04768	2.7
120.08070	1.6
121.02849	6.5
121.06422	1.2
130.08607	1.1
131.06377	12.5
132.04767	11.0
142.08607	2.3
149.07414	100.0
159.05881	2.5
171.04385	43.2
175.05319	1.2
184.09679	1.1
189.05453	4.1
191.22313	0.9
199.03883	23.8
203.03329	1.4
209.08018	1.1
210.08337	1.2
217.04849	6.0
227.03360	52.2
243.11639	2.2
245.04414	86.2
246.04791	1.5
255.55376	1.0
261.12640	41.0
272.03082	2.4
273.03946	2.8
285.03882	1.6
297.04044	1.3
299.05371	1.3
303.05002	1.4
315.04797	1.7
316.08212	2.4
325.23709	1.2
326.04080	1.1
327.05002	1.4
339.04999	1.6
343.24606	0.9
355.07986	1.5
369.05856	1.1
373.09021	3.6
385.04941	1.8
393.11060	8.4
403.10190	2.4
427.10239	2.2
457.10812	1.0
469.11414	1.1
487.12082	2.6
505.16479	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	523.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80315	0.4
53.03908	0.6
54.39388	0.4
55.01832	0.5
55.05503	9.3
55.17392	0.5
59.04993	7.0
69.03397	2.0
70.06582	1.1
70.10789	2.5
72.08111	0.6
73.02877	0.6
81.03384	0.7
83.04514	0.8
83.04970	10.7
84.08123	1.0
85.02888	9.1
86.09660	1.5
95.04945	0.5
97.02885	2.2
97.26465	0.5
99.04443	0.6
101.06020	0.6
103.03886	0.6
109.02870	2.7
120.08079	0.6
121.06479	0.5
127.03889	5.1
133.06334	0.6
136.07561	0.6
139.03883	0.6
145.04936	1.1
151.03886	0.5
153.01768	1.0
153.05505	0.6
155.04910	1.3
156.13809	5.3
171.04453	0.7
173.05930	0.7
181.08565	1.6
182.08910	1.1
183.04405	1.5
184.74348	0.5
187.05896	0.9
201.05411	2.4
205.07028	3.7
209.08015	1.1
211.03848	7.6
219.02861	1.6
225.05450	0.9
225.19589	3.7
229.04922	6.4
239.03349	1.3
245.04587	0.8
245.10112	2.7
253.04848	1.1
256.03607	1.4
257.04407	56.5
258.04764	1.3
260.03119	2.9
261.03873	4.6
263.11252	1.1
267.02893	1.8
271.06064	2.3
273.03888	35.5
274.04581	4.2
281.04483	0.9
283.06058	0.6
285.03888	100.0
286.04276	3.4
287.01840	0.8
287.05371	0.6
290.98880	0.5
295.06134	1.0
297.03973	2.0
299.02112	0.9
299.05396	5.5
301.03397	1.7
303.04938	70.4
304.05322	2.8
311.05444	1.3
313.07028	1.6
323.05408	1.5
325.06894	0.9
327.04941	10.0
339.04840	4.3
345.05920	1.0
351.05026	2.3
357.06061	3.0
369.06030	6.2
385.09103	8.8
387.07065	4.4
403.10211	9.8
405.08005	5.1
487.12415	1.0
505.12912	3.3
523.14160	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	523.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
57.03402	0.6
59.74332	0.4
65.79011	0.3
69.03423	2.5
69.60796	1.5
69.61228	1.7
70.06554	1.1
70.16656	0.4
72.08108	0.6
73.02908	7.0
84.08107	0.4
85.02891	10.7
86.09698	1.0
89.04797	0.4
97.02878	3.7
98.20720	0.8
99.04417	0.4
101.02357	12.6
102.05506	0.4
103.03908	0.5
107.01273	0.4
109.02831	0.5
119.03400	1.3
120.08084	1.0
121.02871	0.4
127.03901	5.8
137.05951	2.6
145.04921	1.0
153.01833	0.5
155.04854	2.0
160.69978	0.4
171.04424	0.5
173.05934	0.6
183.04372	2.0
201.05437	3.1
211.03877	9.0
213.10231	0.6
219.02879	2.0
225.05252	0.6
225.10092	0.6
227.11690	0.5
229.04903	7.9
231.06543	0.5
237.03894	0.5
239.03333	1.5
241.09677	1.0
242.10580	0.5
243.02762	0.8
245.04414	0.9
255.11111	0.8
256.03601	1.7
257.04407	65.8
258.04785	1.2
260.03137	4.4
261.03915	6.2
263.07629	2.5
267.02805	3.4
267.11282	0.9
269.09256	0.4
271.05957	1.5
273.03888	21.2
274.04648	5.5
275.05325	0.5
285.03885	100.0
286.04309	2.0
287.01752	0.7
289.03183	0.5
297.03888	1.8
299.05347	3.6
301.03513	0.6
301.11649	0.7
303.04938	86.9
304.05359	0.9
311.05344	0.7
313.07156	0.5
313.11816	1.6
323.05389	0.9
325.03781	0.4
325.12051	0.4
327.04953	6.0
339.05084	1.4
341.11295	0.5
342.12125	0.8
343.11777	0.7
351.04977	1.2
355.12738	0.5
357.06058	1.6
357.10297	0.5
369.06070	2.8
373.13882	0.8
387.07104	2.0
401.13528	0.7
403.06549	22.9
404.06888	0.6
405.08371	2.4
409.13943	0.8
427.15186	0.5
445.15964	1.4
455.14493	0.8
469.15689	0.4
473.15747	3.1
487.17139	0.6
491.16785	1.6
505.10153	0.7
505.18018	3.4
523.10706	3.7
523.19257	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
56.05018	1.1
57.03419	0.5
57.07061	0.8
58.06575	1.3
59.07365	0.3
60.08157	16.8
61.70808	0.3
67.05490	2.0
69.07069	2.5
70.06639	1.6
71.04969	0.3
71.07366	5.7
71.08599	0.3
73.34419	0.3
75.06889	0.2
79.05473	0.9
81.07039	1.9
83.08601	1.5
86.09696	48.4
91.05476	0.5
93.07034	0.9
95.05007	0.3
95.08588	1.6
97.10170	1.0
98.20766	0.3
98.98454	3.8
104.10731	94.6
105.11070	0.5
107.08581	0.6
109.10143	1.2
119.08610	0.3
121.10123	0.6
124.99989	27.6
135.11676	0.4
149.74902	0.3
163.01495	0.4
169.05128	0.3
170.14810	0.3
181.02519	0.3
184.07323	100.0
185.07657	0.8
209.34784	0.3
251.23694	0.4
258.10999	1.1
339.28915	1.3
417.25806	0.3
445.26923	0.5
504.34464	8.1
522.35474	22.9
523.35382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	9.8
61.26957	5.1
67.05489	12.3
69.03423	11.0
69.07062	18.2
70.87811	5.8
70.88160	18.2
71.04984	18.7
79.05470	20.9
81.07050	100.0
83.04970	6.7
85.02897	9.8
86.09690	16.7
87.00809	7.0
91.05453	18.8
93.07022	34.6
95.08586	30.8
97.02854	5.4
99.08024	6.7
105.01860	16.6
105.07001	39.1
107.08582	53.3
109.02879	5.8
109.10161	31.7
112.49065	6.2
119.08553	74.8
121.10152	10.1
123.11687	17.4
127.03864	15.4
127.11183	20.8
129.05492	6.3
133.10095	40.3
135.11679	80.4
137.05962	14.5
143.10672	11.0
145.04951	9.0
147.11664	25.3
149.13191	7.3
153.12700	6.9
161.13237	18.6
167.07037	17.4
174.09892	5.7
175.14810	12.0
203.17924	63.9
221.18983	57.1
231.04869	6.6
273.03867	10.6
274.04269	10.4
285.03799	5.6
323.00610	6.5
499.99835	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	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52281	0.1
52.04329	0.1
54.23146	0.1
55.05500	0.4
56.05034	0.8
57.03422	0.2
57.07054	0.2
58.06604	0.2
59.07120	0.1
59.07391	0.2
60.08155	7.1
67.05506	0.5
69.07054	0.5
70.06577	0.2
71.07359	3.1
71.71451	0.2
73.71348	0.1
74.45216	0.1
79.05481	0.1
79.38995	0.1
81.07030	0.5
83.08597	0.2
86.09694	33.1
87.10023	0.2
91.05423	0.1
91.94110	0.1
93.07058	0.1
95.08603	0.2
97.10154	0.2
98.98450	3.1
104.10730	2.9
109.10149	0.2
118.39662	0.1
121.10178	0.2
124.99985	22.2
135.11659	0.1
143.01033	0.3
184.07318	100.0
185.07663	0.6
199.32260	0.1
200.85797	0.1
304.39005	0.1
333.26593	0.1
346.74051	0.1
504.34375	0.9
522.28467	0.1
522.35571	1.7
543.21985	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	521.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01863	2.3
55.05505	12.1
57.03426	1.8
57.07067	25.1
66.23660	1.1
66.70367	1.2
67.05493	25.8
69.03433	1.5
69.07055	8.7
71.04994	1.9
71.08621	19.6
71.70122	1.8
79.05481	19.3
81.07045	27.1
83.04971	1.8
83.08607	13.7
85.10175	6.8
87.80190	1.2
91.05447	7.2
93.07034	27.9
95.04961	6.7
95.08590	39.6
97.02910	3.3
97.06535	3.4
97.10174	3.3
99.04443	2.7
105.07019	7.6
107.04928	5.7
107.08575	22.2
109.06478	2.3
109.10154	10.4
111.04430	1.3
111.11691	1.5
117.07040	6.2
119.08568	7.2
121.06523	4.3
121.10119	9.6
123.11713	3.3
123.27071	1.4
125.05968	3.6
130.07759	2.1
131.08562	1.6
133.10162	2.0
135.08025	1.4
135.11681	33.8
135.12648	2.3
139.07532	1.5
145.10107	19.6
163.11165	46.5
181.12244	10.7
209.11800	2.1
227.12752	100.0
239.23700	3.9
275.20273	1.8
335.09625	1.3
521.38373	58.0
521.46069	2.8
532.81555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.0
55.05496	50.2
57.07075	18.1
66.76323	10.2
67.05501	74.5
69.07063	32.2
71.08612	18.2
71.71313	16.3
73.47401	11.8
75.99429	13.0
79.05489	51.8
81.07034	66.9
82.16508	9.4
83.05015	10.6
83.08608	47.5
85.10126	12.3
89.22502	13.6
91.05493	44.8
93.07030	55.3
95.04967	21.5
95.08583	63.6
97.10176	27.8
101.18530	11.8
105.07018	37.7
107.04955	22.7
107.08578	35.2
109.06544	14.0
109.10162	33.4
111.08107	11.8
119.08586	50.5
121.10140	29.3
123.08038	11.4
125.09621	19.2
131.08577	12.7
133.10115	14.9
135.08080	12.7
135.11696	32.8
140.88326	12.3
145.10133	47.7
148.49127	14.0
149.09656	32.7
151.14790	11.6
159.11754	16.1
161.13170	14.6
163.11188	46.2
171.11665	12.2
181.12119	19.1
189.73203	11.6
227.12819	50.7
237.14856	18.6
275.19998	100.0
307.22778	43.7
323.07968	12.1
343.19000	12.3
396.60318	14.1
512.17719	11.9
521.38507	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
54.53954	1.0
55.01863	6.5
55.05500	24.4
57.03428	6.0
57.07062	2.3
59.04990	3.5
60.71981	1.0
61.02912	1.0
61.33007	1.0
65.03925	3.7
67.05489	100.0
69.03421	3.3
69.07052	15.6
70.95650	3.6
71.04966	3.0
79.05474	26.7
80.19890	1.1
81.03381	2.2
81.07039	64.3
83.04962	4.1
83.08605	15.8
85.02898	1.8
85.06535	3.9
91.05457	27.3
93.07029	27.5
95.04954	7.7
95.08588	23.8
97.06497	7.6
97.10136	10.1
99.08051	1.2
105.07008	25.6
107.04910	6.4
107.08572	17.5
109.06502	11.3
109.10133	53.3
111.08064	4.1
117.06973	8.1
119.08560	23.5
121.06469	3.7
121.10132	12.7
123.08041	5.3
123.11705	4.3
125.09632	8.2
129.06953	2.8
131.08511	8.5
133.10104	14.0
135.08044	4.8
135.11646	6.0
137.09587	6.6
139.11180	1.5
143.08549	1.5
145.06451	1.3
145.10115	8.4
147.08055	1.3
147.11653	15.2
149.09619	5.3
149.13225	5.8
153.09079	1.3
155.08498	1.5
155.10652	2.1
157.10059	2.8
159.11700	6.9
161.13249	5.2
163.11157	5.1
163.14784	2.9
165.12753	4.7
169.10097	2.3
171.11690	3.3
173.11703	13.0
173.13219	4.6
175.11156	1.9
175.14786	3.3
177.12753	2.4
183.11670	1.8
185.13191	1.9
187.11125	1.5
187.14795	2.7
189.11168	7.4
189.12634	1.3
191.14203	1.4
197.13177	1.2
223.08737	1.2
223.13306	2.8
227.12849	6.6
229.14310	22.3
229.16475	2.0
229.19469	1.9
235.17014	1.4
239.09804	1.3
239.17896	2.1
241.19461	4.5
245.13788	7.9
247.20497	4.4
257.18906	4.6
259.20544	8.4
261.36447	1.2
267.15900	4.5
275.20004	45.1
277.21558	1.9
293.21045	11.3
333.24228	3.3
349.23666	13.2
380.51151	1.4
388.98126	1.2
411.28339	2.2
429.29968	2.6
461.18851	2.6
489.18140	2.3
503.33664	22.6
510.62463	1.3
521.22101	1.7
521.34625	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	521.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01862	6.0
55.05499	21.1
57.03426	5.1
59.04980	3.5
61.70842	0.9
65.03922	3.3
67.05492	100.0
67.34599	1.0
69.03400	2.0
69.07059	10.9
69.46558	9.2
71.04984	5.7
74.36041	0.8
74.67371	0.9
78.05372	0.9
79.05481	20.6
79.05928	1.3
79.77496	0.9
81.03384	2.2
81.07043	26.5
82.73663	1.1
83.04970	7.7
83.08607	15.8
85.02877	2.9
85.06519	3.6
90.35934	0.9
91.05453	16.4
93.06445	1.2
93.07024	22.6
95.04954	26.5
95.08593	15.6
97.06519	3.5
97.10146	5.6
98.45438	0.9
99.04437	4.1
105.06303	1.7
105.07008	14.7
107.04933	5.2
107.08576	19.7
109.06502	4.7
109.10135	58.8
111.04440	7.5
111.08054	6.6
117.07016	5.0
119.08568	12.9
121.06487	3.0
121.10125	9.5
123.08059	3.5
123.11702	1.6
125.09589	7.2
129.06967	1.5
131.08539	8.6
133.10127	5.9
135.08052	3.0
135.11674	4.1
137.09602	3.1
139.11203	1.0
143.08514	1.8
145.10086	8.9
147.08080	1.9
147.11661	5.8
149.09593	14.7
149.13391	1.2
153.09032	1.3
153.12718	1.2
155.10667	3.7
157.10123	2.0
159.11690	3.8
163.11136	11.7
165.09064	1.1
165.12779	1.3
169.10143	1.9
171.11665	1.1
173.11739	13.9
173.13145	1.8
175.11133	1.2
177.12729	2.4
181.12309	1.4
183.11705	1.5
185.13249	1.5
187.11206	2.2
189.11208	7.5
193.12311	0.9
205.12296	3.5
211.13217	2.2
223.11076	1.7
223.13257	31.8
227.12688	2.0
229.14319	7.9
229.19510	1.3
239.17847	1.4
247.20572	1.9
257.18961	5.1
275.20026	34.0
276.20419	1.4
293.21039	19.7
293.24088	1.5
333.51788	0.9
342.75079	0.9
349.19800	1.3
349.23618	7.5
422.18777	1.3
503.33527	6.3
521.34668	48.0
522.34778	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	521.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
52.46445	0.3
53.03937	0.5
55.01863	0.5
57.71340	0.2
60.04527	0.3
69.03435	0.4
70.06588	0.8
71.70334	0.3
71.70729	0.4
72.08149	0.5
76.04734	0.2
77.03918	0.5
79.05485	0.6
84.04500	0.6
84.08147	0.3
85.02893	1.0
86.09692	0.7
91.05476	0.9
95.04938	0.8
97.02872	0.4
99.60067	0.3
102.04611	0.4
103.05450	55.8
105.07014	3.3
107.04937	0.6
115.05445	1.0
119.04932	0.9
131.04904	100.0
132.05232	0.7
133.06462	3.4
137.05949	4.7
147.04422	1.0
148.07674	0.3
157.50150	0.3
159.08038	0.4
161.05960	10.3
163.07513	29.2
175.07515	1.2
179.06973	0.8
187.07518	1.5
193.48056	0.3
193.87984	0.3
217.08498	0.3
219.08087	0.3
247.07506	0.3
251.10533	0.4
279.10098	0.5
291.10065	0.5
299.05701	0.3
311.12756	0.8
312.39886	0.2
335.00601	0.9
347.00671	0.5
353.01984	0.5
359.00702	0.7
368.48230	0.4
377.01755	3.0
381.01297	0.3
395.02878	0.9
400.03091	0.3
401.01703	0.5
419.02670	0.6
479.04648	0.9
503.15939	0.4
521.21844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
60.04549	0.4
69.03413	0.7
70.06581	1.5
71.49377	0.5
71.49730	0.8
72.08138	1.0
79.05494	1.0
82.27110	0.3
84.04486	0.6
84.08121	0.8
84.79676	0.3
85.02908	1.0
86.09681	1.2
87.09188	0.4
91.05478	1.1
92.64780	0.4
95.04962	1.4
97.02892	0.8
98.97676	0.3
103.05452	52.5
104.05233	0.3
104.05814	0.4
104.17715	0.3
105.07017	4.6
107.04896	0.6
109.02878	0.5
115.05408	0.8
119.04934	0.8
120.08084	1.8
121.02846	0.8
131.04909	100.0
132.05219	0.8
133.06488	3.6
137.05951	4.3
143.06059	0.5
147.04399	0.8
161.05963	10.0
163.07521	25.0
175.07568	0.6
187.07550	1.1
217.08505	0.4
219.07930	0.4
241.09492	0.4
251.10588	0.6
273.03864	1.0
276.13382	0.5
299.05942	0.7
311.12726	1.0
335.00848	0.5
347.00516	0.5
359.00534	0.5
377.01727	2.8
395.02795	1.0
401.01682	0.4
521.21741	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	520.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47084	0.3
51.62927	0.4
55.01850	1.0
55.05491	0.9
56.05021	0.5
56.46408	0.4
57.03411	0.8
58.06592	3.2
61.02908	1.2
67.05482	0.4
69.03429	4.3
69.07056	9.8
70.06223	0.4
70.06580	5.3
71.08245	0.6
71.08620	7.9
71.69900	0.7
72.07771	0.5
72.08145	7.8
73.02902	1.1
73.06541	1.9
73.37260	0.3
79.05482	1.1
81.03392	1.1
81.07034	0.5
84.04491	1.0
84.08131	4.0
85.02896	5.3
86.06030	0.5
86.09680	1.3
87.04464	1.2
91.03889	0.4
91.05796	0.7
93.31324	0.4
96.08103	0.5
97.02879	2.9
97.06518	2.8
98.06024	1.3
98.09682	1.1
99.08080	16.5
101.02353	0.4
107.04917	0.4
108.01311	0.4
109.02834	0.9
112.07534	0.4
112.11222	2.8
115.07554	6.7
119.08600	0.4
120.08063	1.0
121.02850	2.3
126.09101	1.2
127.03904	1.6
128.10698	2.4
129.10245	0.9
129.13913	0.6
131.04955	0.6
136.07538	0.5
137.05937	1.6
143.58162	0.4
145.04973	0.6
145.81104	0.5
154.12236	1.0
155.15430	1.1
156.13818	100.0
157.14133	1.1
167.05487	0.9
167.06932	0.4
168.13855	1.2
170.15378	3.8
172.13304	38.5
177.05396	0.5
186.14877	7.8
187.10768	0.9
197.05777	0.4
203.07104	0.4
203.17558	0.8
211.24922	0.5
217.04951	0.6
217.08519	0.5
227.21176	1.6
243.20665	2.0
244.23793	0.9
257.04501	0.5
259.11298	0.5
260.23306	1.0
276.94873	0.4
299.06134	0.8
300.06152	0.6
313.07007	0.4
334.18704	0.7
340.29608	2.1
341.27905	2.6
348.10687	0.6
358.30591	84.1
359.30902	2.9
366.11551	0.9
484.15796	0.8
484.33432	0.6
502.17020	1.7
513.48248	0.4
520.35864	75.4
521.21008	1.2
521.35968	3.0
548.79425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99762	0.1
55.05505	0.2
56.05019	0.6
57.03432	0.2
58.06619	0.4
59.07388	0.1
60.08155	6.3
62.26056	0.1
67.05496	0.7
69.07060	0.4
71.07362	2.9
79.05482	0.2
81.07049	0.6
86.09690	31.8
91.05470	0.2
93.07029	0.3
95.08594	0.4
97.10119	0.1
98.20681	0.4
98.98446	3.1
104.10724	2.7
109.10165	0.3
124.99981	22.1
143.01019	0.3
184.07310	100.0
185.07632	0.6
212.40416	0.2
231.08945	0.2
267.09073	0.1
365.15454	0.2
375.51123	0.2
502.32867	1.0
520.34045	1.5
546.52203	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	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
56.05024	1.5
57.03443	0.6
58.06567	1.6
60.05122	0.3
60.08154	16.9
67.05492	4.7
69.03411	0.3
69.07062	1.6
69.45324	3.2
70.35686	0.3
71.07366	6.7
71.07758	0.4
79.05475	1.2
81.07036	3.8
83.04956	0.4
83.08611	0.6
86.09690	53.5
91.05419	0.5
93.07027	1.2
95.08588	2.5
96.74397	0.3
97.10159	0.4
98.20663	0.6
98.98451	3.9
104.10723	99.8
105.07011	0.4
105.11053	0.8
107.08557	0.7
109.10130	1.0
119.08542	0.6
119.25078	0.3
121.10104	0.4
124.99979	28.8
127.13352	0.3
130.12637	0.3
130.89558	0.3
135.02209	0.3
135.11792	0.3
143.01006	0.4
163.01503	0.5
184.07312	100.0
185.07623	0.5
190.62994	0.3
198.96785	0.3
202.36732	0.3
220.59926	0.3
229.70900	0.3
240.09843	0.3
258.10986	0.9
337.27338	0.7
353.43195	0.4
374.46646	0.4
385.09717	0.3
443.25662	0.4
454.73459	0.3
502.32858	7.7
520.33911	22.6
521.33954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01865	5.4
55.05506	28.1
56.96548	4.4
57.03425	5.0
57.07060	1.3
59.04980	3.6
60.08138	3.6
61.02898	2.5
65.03930	2.4
67.05495	100.0
69.03416	7.3
69.07057	23.5
71.04980	5.3
71.07346	1.8
73.02912	1.4
79.05481	26.6
81.03419	6.2
81.07043	47.3
83.04965	4.8
83.08602	11.5
85.02876	2.9
85.06514	4.3
86.09692	14.0
87.10011	2.8
90.66321	1.1
91.03940	1.4
91.05450	22.3
92.05814	1.5
93.07037	24.1
95.01325	1.1
95.04954	9.6
95.08593	16.2
97.02879	8.5
97.06503	4.5
97.10159	12.3
98.20634	2.1
98.98434	2.3
99.04466	1.4
104.10716	1.9
105.07018	17.9
107.04939	7.8
107.08579	14.7
109.06512	7.8
109.10141	51.7
110.58784	1.1
111.04406	1.0
111.08052	3.5
113.06011	1.5
114.15601	1.0
115.05466	1.3
117.03402	1.9
117.07000	9.7
119.08566	16.3
121.06461	3.3
121.10115	6.4
123.04369	1.6
123.08071	5.7
123.11679	1.6
124.99996	9.6
125.09620	9.4
126.00337	1.2
128.98599	1.1
129.06984	4.1
131.08531	9.8
133.06477	2.6
133.10112	10.0
135.08002	5.9
135.11678	4.3
137.05936	1.5
137.09558	5.1
142.07765	1.4
143.08551	4.4
145.02837	4.7
145.10106	5.9
145.90637	1.2
147.08029	6.1
147.11694	6.5
149.06055	1.1
149.09610	2.1
149.13266	1.7
151.07585	1.2
151.11122	1.7
155.08531	1.3
155.10684	1.8
157.10107	2.9
159.11671	3.3
161.09604	3.1
161.13185	1.9
163.11139	3.5
165.09116	3.0
167.05460	2.7
169.10097	1.7
171.10207	1.7
171.11624	2.4
173.11726	10.4
173.13138	2.3
174.83745	1.1
175.11101	3.0
177.05473	9.6
177.12703	1.4
181.10060	1.3
184.07320	51.3
185.07713	11.5
185.13254	1.9
189.11275	5.9
189.12614	1.1
195.13751	2.1
199.14809	1.6
205.12231	2.0
223.13246	11.5
224.48517	1.2
225.04257	1.1
227.12753	7.5
227.17879	1.4
229.14290	5.6
241.19507	1.5
243.16005	3.3
245.19131	1.4
249.14839	1.8
255.17363	1.3
259.20486	1.8
263.19998	1.3
273.18436	18.6
275.20029	10.8
291.19507	74.3
292.19757	1.4
299.06174	3.4
329.14111	1.4
333.24170	2.2
335.25903	2.6
344.97604	1.6
347.15347	4.5
347.22327	3.0
349.16821	4.0
364.14459	5.9
365.15710	8.1
365.22977	2.1
367.18085	3.8
421.25491	1.3
458.37753	1.3
501.31717	4.9
519.33099	63.3
520.33246	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	518.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.1
55.05492	0.2
56.05019	0.6
56.62767	0.1
57.77206	0.2
58.06623	0.5
60.08152	6.6
64.62129	0.2
67.05481	0.9
71.07356	3.0
79.05487	0.4
81.07040	0.7
86.09689	31.8
90.11703	0.1
91.05487	0.2
91.31063	0.1
93.07024	0.6
95.08607	0.5
98.98448	3.4
102.39636	0.2
104.10722	3.5
104.32047	0.1
105.07030	0.3
107.08553	0.3
109.10161	0.3
113.00009	0.2
124.99979	22.5
143.01054	0.2
159.35728	0.2
166.02531	0.2
184.07307	100.0
185.07625	0.6
203.44157	0.1
229.83250	0.2
258.11029	0.3
276.20316	0.2
308.02942	0.2
335.25784	0.2
351.19098	0.2
438.03775	0.2
484.79776	0.2
500.31082	0.8
506.13855	0.2
518.32159	1.5
519.32947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46933	1.8
55.01861	2.2
56.18023	2.2
57.03430	3.1
61.02908	2.1
67.05499	4.1
69.03426	3.5
70.06579	7.1
70.28378	8.1
71.04951	2.4
76.99224	1.8
79.05491	4.1
81.03400	2.9
81.07032	3.4
84.08128	3.0
85.02879	10.4
86.09698	4.6
89.20630	2.3
95.04944	2.2
97.02882	3.4
97.06522	6.1
105.03383	2.0
105.07037	1.8
116.01658	2.2
121.02853	3.2
122.03664	2.2
131.04907	3.8
133.02826	5.5
137.05956	23.5
153.01811	8.1
167.05609	4.1
167.07071	6.0
170.02080	2.5
175.07542	3.5
176.97189	2.2
187.03824	2.4
187.07433	2.4
219.07980	3.2
235.07625	2.4
237.05498	3.8
241.04901	3.3
244.03645	3.5
247.07379	4.7
255.06476	3.8
257.04407	8.7
263.01962	2.3
265.04950	3.9
267.06549	3.2
268.03610	3.6
269.04398	12.8
270.05164	3.6
270.08609	1.9
271.06006	4.9
272.03146	4.4
273.03864	21.7
277.08344	2.6
281.04474	9.0
282.05267	8.4
283.05936	27.4
284.03076	17.8
285.03900	50.6
285.06894	2.3
286.04614	2.9
287.05359	2.8
287.10153	2.4
293.04468	4.0
294.05130	2.8
295.05936	8.8
295.09171	3.1
297.03925	52.0
297.07303	4.6
298.04602	10.4
299.01859	8.5
299.05673	15.1
304.07742	2.5
307.05988	7.2
307.09399	3.1
309.04211	10.5
309.07498	4.2
310.04669	20.9
311.01810	4.6
311.05432	82.1
312.06421	3.2
315.05035	9.5
321.03851	5.6
322.04593	2.9
323.05530	16.0
323.09012	3.6
324.05984	3.7
325.03421	9.4
325.07037	7.0
325.10437	4.4
326.04181	4.2
327.04913	8.7
329.02783	8.3
333.07550	4.7
335.05481	5.5
335.09235	3.5
336.06213	3.2
337.06992	4.8
339.04990	33.2
339.08658	4.5
339.11996	2.5
341.10303	2.9
344.97586	3.2
347.05664	2.7
349.06827	7.4
351.04855	13.6
351.08585	60.3
353.02686	2.7
353.06454	4.9
353.10202	13.5
357.05939	3.8
357.09677	5.0
363.04773	4.3
365.02771	2.4
365.06717	2.9
369.09647	74.6
369.14178	4.1
373.17856	2.5
377.06436	6.5
377.10449	5.0
381.09647	100.0
382.10141	3.8
387.10617	8.1
391.11673	4.0
393.05887	8.0
393.10278	2.4
395.11472	11.0
399.10721	33.3
405.05652	12.9
407.11270	3.5
411.06641	9.9
417.09686	4.6
423.10831	90.7
435.10687	27.8
441.07602	4.3
447.10611	32.5
453.11765	20.3
465.11768	32.4
466.11481	2.2
483.12808	36.0
487.21460	20.7
501.13251	11.0
501.20062	4.0
519.24237	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01225	1.4
53.03933	3.7
54.48080	1.5
55.01849	2.0
55.05494	3.2
57.03160	1.5
57.03423	17.8
59.04977	3.1
60.04505	2.8
61.02909	5.3
67.05483	3.2
68.56304	1.6
69.03418	67.7
69.07049	3.7
70.06586	3.7
71.04964	3.1
71.69935	1.9
72.08154	2.0
73.02882	3.4
75.04443	4.1
79.05087	1.8
79.05487	21.5
81.03415	9.1
81.07032	6.2
81.50710	1.4
85.02892	83.7
85.06536	31.5
86.09671	2.6
87.04458	39.5
91.03928	4.7
93.07029	3.9
95.04942	4.0
95.08578	3.3
97.02876	65.6
97.06499	3.1
99.04411	3.8
103.03922	1.7
105.03381	26.7
107.08583	2.7
109.02864	5.3
109.06495	2.6
114.27847	1.5
115.03909	65.5
115.91904	1.8
119.04888	1.5
121.06487	1.8
123.04410	100.0
123.08047	3.0
127.03899	17.9
129.05527	1.8
129.10202	1.8
131.57112	1.6
133.04948	65.3
135.08040	2.2
137.05910	2.7
145.04941	41.0
150.07629	8.2
151.07442	2.8
153.09026	3.8
159.09126	2.8
163.05984	10.6
163.07256	1.7
167.07001	2.1
181.08553	2.3
189.09183	7.0
199.09644	9.3
217.10583	3.1
229.10680	4.4
241.07047	2.1
273.03839	4.0
285.03934	5.5
285.09607	2.9
299.05887	4.4
315.04880	3.4
351.08557	2.2
369.09708	11.1
387.10507	3.7
399.10681	5.7
423.10770	7.1
435.10596	2.9
441.11804	3.9
465.11667	3.0
483.12692	4.1
486.99463	1.7
501.13943	3.3
518.20471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01860	7.6
55.05501	35.2
57.03416	3.6
57.07062	6.6
59.04986	2.5
64.41582	1.9
65.03922	3.1
67.05493	78.2
68.92883	1.7
69.07056	36.3
70.05350	10.6
71.04980	4.8
71.08615	11.2
73.06559	2.4
79.05486	41.3
81.03416	3.9
81.07044	100.0
83.04969	7.2
83.08609	21.7
85.06538	7.5
91.05466	40.5
91.06030	2.0
93.07030	44.0
95.04969	17.1
95.08591	52.5
96.24243	2.0
97.06531	7.8
97.10143	12.6
99.08070	8.7
105.07015	41.4
107.04955	9.9
107.08586	30.7
109.06503	11.0
109.10134	24.1
111.08060	3.9
111.11696	2.5
113.00005	10.9
117.07001	13.7
119.08558	30.0
121.06490	7.1
121.10116	20.0
123.08071	6.5
123.11708	13.1
125.09654	6.7
128.06215	3.8
129.06976	8.3
131.08556	23.7
133.06470	3.8
133.10107	21.3
135.08025	9.5
135.11676	13.2
137.09641	3.3
137.13243	2.6
139.11185	2.0
142.07764	2.3
143.08504	12.8
145.06549	2.6
145.10110	20.0
147.08012	4.3
147.11671	17.5
149.09593	5.1
149.13237	5.8
151.11163	7.2
151.14833	4.0
151.90154	2.2
153.12750	3.0
155.08533	8.2
157.10100	6.6
159.07974	2.3
159.11681	10.0
161.09633	3.4
161.13242	10.1
163.11172	7.5
163.14787	4.3
165.12727	6.3
169.10039	4.3
171.11664	6.8
173.09608	4.0
173.13228	5.3
175.11128	3.4
175.14793	4.7
177.12723	3.0
179.08546	2.1
179.14314	6.3
181.10175	2.5
183.11642	4.0
185.13234	4.5
187.11209	2.2
187.14856	4.8
189.16426	2.4
191.10609	2.5
197.13222	2.0
199.14740	2.6
201.16287	4.2
217.19470	13.5
219.11639	2.1
219.17339	2.0
221.13260	2.2
223.14790	2.0
225.16487	3.5
227.17961	2.7
229.19441	2.2
235.20570	7.5
239.17989	2.6
247.20485	3.3
257.19095	2.9
273.22083	2.8
275.20050	6.1
279.23138	5.4
287.20026	2.6
317.24582	3.3
331.26288	8.4
341.24640	2.4
347.25903	4.2
405.29965	7.5
425.34091	2.5
435.32477	10.0
453.33719	18.1
457.36328	2.3
467.35184	4.6
485.36298	39.1
489.39008	3.4
499.37366	8.3
517.39282	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	517.388
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.93591	1.3
51.02356	1.6
53.03948	1.6
55.01856	2.2
55.05501	16.9
57.03422	4.9
57.07072	2.3
67.05494	38.5
69.07051	21.3
71.04990	2.3
71.70548	1.6
79.05477	27.2
81.07041	45.7
83.08594	10.2
85.06522	1.5
91.05470	22.7
93.06438	1.8
93.07027	33.1
95.04942	3.7
95.08012	2.2
95.08599	31.9
97.06522	5.8
97.10155	4.4
105.07018	26.5
107.08571	22.6
109.06517	1.8
109.10146	13.7
111.08034	3.1
113.00020	5.4
117.07000	10.4
119.08562	29.7
121.06454	1.3
121.10126	17.5
123.08034	4.3
123.11707	5.1
125.09612	2.4
129.06973	3.7
131.08542	20.9
133.10095	21.2
135.08075	2.8
135.11658	12.5
137.13222	2.3
143.08542	5.7
145.10075	18.2
146.95326	1.6
147.11661	14.1
149.13252	6.3
155.08571	1.5
157.10149	6.0
159.11662	14.3
161.13245	6.6
163.14787	3.0
169.10115	3.1
171.11682	5.8
173.13232	11.7
175.14822	5.1
177.12837	1.6
179.14308	2.4
181.10146	1.5
183.11743	3.9
185.13274	5.1
187.14838	6.1
189.16408	2.5
197.13237	3.1
199.14842	5.3
201.16394	3.4
210.65875	1.5
211.14839	2.3
213.14551	1.8
213.16385	2.6
223.59094	1.4
241.17722	3.1
245.18965	2.0
259.20490	3.5
287.23734	2.1
292.77094	1.5
299.23682	3.3
301.25162	2.0
316.02185	1.6
331.26160	5.0
333.24173	2.3
405.29849	7.8
407.33032	4.7
419.31537	2.5
425.34067	14.5
443.35126	6.3
499.37912	22.6
517.38831	100.0
518.39032	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3879
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03933	3.0
55.01868	1.5
55.05506	15.3
57.03424	4.5
57.07061	1.5
57.20147	1.3
59.87748	1.0
66.37835	1.0
67.05492	35.0
67.05848	2.2
69.07060	15.1
71.04977	1.7
71.30987	2.0
71.31329	2.4
73.06526	1.0
79.05478	26.0
81.07043	42.6
83.04984	2.0
83.08592	8.0
85.06536	3.7
87.66724	1.0
91.05466	24.1
93.07030	35.5
95.04976	3.8
95.08587	29.7
96.08941	1.2
97.06523	4.0
97.10143	3.1
99.08092	1.9
105.07012	27.6
107.04930	1.0
107.08576	23.9
109.06535	1.9
109.10142	13.6
111.08015	1.5
111.11730	1.1
112.99990	6.8
117.06990	7.7
119.08567	26.2
121.10133	17.6
123.08051	3.7
123.11703	5.0
125.09621	2.7
129.07018	4.4
131.08549	18.8
133.10112	20.1
135.08102	1.8
135.11674	8.4
137.09679	1.4
143.08511	7.4
145.10080	18.8
147.07983	1.2
147.11674	11.6
149.09634	2.4
149.13193	7.1
155.08528	2.9
157.10114	4.8
159.11691	15.2
161.13205	8.2
163.14848	3.5
165.12723	1.2
169.10101	2.0
171.11655	8.6
173.09612	1.2
173.13220	10.8
175.14807	6.9
177.12773	1.3
177.16389	1.4
179.14378	2.5
181.10060	1.5
183.11673	3.3
185.13286	4.5
187.14801	6.3
189.16382	2.0
191.14226	1.5
197.13176	2.5
199.14731	2.2
201.16377	2.3
211.14857	2.3
215.18056	1.0
227.12973	1.6
227.18045	1.4
241.17960	3.3
257.18900	1.5
259.20578	4.9
261.22366	1.3
273.22043	1.7
275.20059	1.7
287.20572	1.3
287.23608	2.2
299.23947	1.5
313.25226	2.1
331.26428	3.9
333.24249	2.0
361.27521	2.4
387.29449	1.4
389.27051	1.7
405.29819	6.5
407.33350	6.3
419.31613	1.3
425.34146	12.7
426.34235	1.4
443.35443	6.6
447.29858	1.5
481.36771	1.6
499.38068	19.3
517.38910	100.0
518.39319	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
54.56481	2.3
55.01872	5.3
55.05498	25.6
57.03417	5.4
57.07062	9.1
61.02896	3.1
65.03902	3.1
65.16400	2.4
67.05134	5.9
67.05489	74.7
69.03395	5.6
69.05965	2.1
69.07047	28.5
69.48001	22.0
71.04966	3.9
71.08612	7.8
79.05485	30.4
81.03400	5.9
81.07039	100.0
83.04951	4.3
83.08610	19.7
85.02879	4.4
85.06543	5.7
89.17388	2.3
91.05468	25.5
92.21008	2.7
93.07030	31.6
95.04939	9.7
95.08591	65.8
97.02834	4.1
97.06511	10.8
97.10135	12.6
99.08076	8.3
105.07005	31.8
107.04934	3.7
107.08561	25.3
109.06476	6.4
109.10142	31.4
111.08059	4.0
111.11718	2.8
112.99989	12.9
113.09605	3.1
117.06998	5.8
119.08568	22.3
121.06449	3.7
121.10125	20.0
123.08059	7.4
123.11652	17.6
129.07022	4.5
131.08549	10.4
133.10104	20.4
135.08017	6.1
135.11664	10.8
137.09587	4.8
137.13254	6.8
143.08559	2.9
145.10098	9.6
147.07996	3.2
147.11626	12.7
149.09534	3.5
149.13235	6.3
150.27937	2.4
151.11177	6.0
151.14819	4.2
151.99043	2.6
157.10008	4.1
159.11656	9.0
161.13188	13.3
163.11163	4.4
163.14798	9.8
165.16405	5.6
171.07951	3.2
171.11702	3.1
173.13203	3.7
175.14798	10.0
179.14314	6.0
179.17958	6.5
183.11505	2.5
185.13187	3.6
210.43643	2.7
217.19629	3.5
223.73065	2.5
245.22672	30.5
263.23682	35.0
275.20084	11.6
331.26352	4.5
337.27313	40.5
347.25723	3.2
371.25607	3.6
405.29871	10.4
426.61981	2.7
435.32455	3.0
453.33713	7.3
485.35944	10.8
499.32501	6.2
517.39764	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.2
55.05505	7.8
56.13276	0.9
57.03426	4.7
57.07057	3.6
58.19282	0.8
65.03915	1.3
67.05497	14.5
69.07062	11.6
71.04984	1.4
71.08622	6.6
79.05484	9.7
81.03410	1.1
81.07042	27.5
83.04953	2.1
83.08602	4.8
85.06521	2.8
91.05455	9.8
93.07030	12.1
95.04947	2.1
95.08601	14.7
97.06503	3.8
97.10122	1.5
98.20681	2.9
99.08078	2.5
105.07021	12.0
107.04926	1.2
107.08576	12.1
108.31147	0.8
109.06499	13.6
109.10133	5.9
111.08076	1.8
112.99998	100.0
117.07023	2.1
119.08553	11.7
121.06460	1.8
121.10123	7.2
122.07265	1.5
123.08059	23.8
123.11671	3.9
125.09566	0.9
129.06969	1.5
131.08591	3.4
133.10109	12.1
133.11057	1.6
135.08026	13.7
135.11687	3.6
137.09586	2.3
143.08533	1.7
145.10120	6.9
147.07956	1.2
147.11647	8.4
149.09615	3.5
149.13187	4.6
151.11185	1.2
152.68176	1.0
157.10127	1.6
159.11630	3.4
161.09557	1.7
161.13243	2.5
163.11153	1.4
165.12723	1.8
167.14285	3.2
169.02576	2.0
173.13258	3.1
175.11076	1.0
175.14775	8.4
177.12680	5.5
177.16333	1.6
179.14288	37.0
182.27069	0.9
187.03653	15.2
187.14832	1.2
191.14311	1.8
193.12321	0.8
193.15836	1.6
201.76541	0.8
205.15939	4.0
233.18916	1.6
247.20528	1.4
263.20047	2.1
271.20566	1.0
272.70694	0.9
275.20105	6.2
288.45294	1.0
289.21655	8.2
293.21167	2.7
303.26813	3.1
319.22565	2.0
331.26260	52.9
347.25836	1.3
349.27393	9.3
369.27621	2.4
375.28879	2.7
387.28955	8.5
405.29944	80.7
406.30325	1.8
499.27887	2.0
517.28827	3.5
517.35345	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	517.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	4.9
67.14873	2.5
69.03415	6.7
69.87798	11.4
69.88215	5.9
70.06576	10.2
70.92742	2.2
71.04989	7.6
72.08137	5.5
79.05474	4.7
81.07034	11.7
84.04507	3.4
84.08144	6.7
85.02898	13.6
86.09682	8.0
91.05465	7.4
95.05009	3.4
95.08582	5.8
105.07019	10.6
107.08589	16.3
109.06473	6.2
109.10148	6.9
114.72858	2.7
115.05409	2.5
117.07001	3.3
119.08533	5.2
120.08047	4.1
121.10123	10.3
129.10252	3.2
131.08531	3.0
133.10112	100.0
135.08000	10.0
135.11658	2.6
137.06010	5.5
137.09592	74.1
138.71445	3.2
147.04340	3.1
149.13222	9.3
162.06810	3.9
163.03831	3.8
163.14810	3.1
173.13263	10.5
191.14276	69.7
195.88792	2.6
201.05487	3.9
209.15410	14.2
233.06020	2.5
285.03848	4.5
303.04822	2.8
355.12173	2.8
415.04581	3.5
445.67734	2.9
514.49847	3.3
517.17456	5.4
517.40033	3.6
525.26025	3.3
534.23065	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	4.9
67.14873	2.5
69.03415	6.7
69.87798	11.4
69.88215	5.9
70.06576	10.2
70.92742	2.2
71.04989	7.6
72.08137	5.5
79.05474	4.7
81.07034	11.7
84.04507	3.4
84.08144	6.7
85.02898	13.6
86.09682	8.0
91.05465	7.4
95.05009	3.4
95.08582	5.8
105.07019	10.6
107.08589	16.3
109.06473	6.2
109.10148	6.9
114.72858	2.7
115.05409	2.5
117.07001	3.3
119.08533	5.2
120.08047	4.1
121.10123	10.3
129.10252	3.2
131.08531	3.0
133.10112	100.0
135.08000	10.0
135.11658	2.6
137.06010	5.5
137.09592	74.1
138.71445	3.2
147.04340	3.1
149.13222	9.3
162.06810	3.9
163.03831	3.8
163.14810	3.1
173.13263	10.5
191.14276	69.7
195.88792	2.6
201.05487	3.9
209.15410	14.2
233.06020	2.5
285.03848	4.5
303.04822	2.8
355.12173	2.8
415.04581	3.5
445.67734	2.9
514.49847	3.3
517.17456	5.4
517.40033	3.6
525.26025	3.3
534.23065	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27876	0.9
70.06590	2.0
71.70449	1.4
72.08140	2.0
73.22474	0.9
76.03983	1.4
80.05008	1.3
83.06097	1.7
84.04491	7.6
85.04012	3.3
86.09714	1.0
93.05775	7.1
94.06549	1.0
99.00807	3.2
99.02656	1.0
110.06028	2.1
113.03497	1.1
118.06509	1.5
124.02164	1.6
125.02946	13.9
126.03725	23.1
130.04999	5.6
131.04533	1.8
135.02640	1.5
136.02155	10.5
138.03697	1.7
146.06013	1.0
150.03705	4.2
150.05411	0.8
152.01619	1.3
152.05270	2.1
154.03163	2.3
162.03613	0.9
162.05536	2.2
162.09027	0.8
163.06320	0.9
164.01593	1.4
164.07069	1.8
170.02684	1.8
176.05243	1.0
177.03287	7.6
178.03194	8.9
180.04742	1.0
180.06500	1.0
181.06166	0.9
182.02661	2.5
185.03775	1.8
196.04259	12.1
209.06796	2.4
210.07585	10.6
214.05295	1.8
224.03725	10.5
231.04370	4.9
242.04790	100.0
243.05141	2.3
244.06441	1.1
250.05251	1.1
268.06335	7.6
285.08939	6.0
295.07468	2.0
296.05881	8.7
313.08478	3.8
351.10153	1.7
382.82080	0.8
388.11752	10.2
442.12747	3.8
517.16699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
57.03416	0.5
57.07064	0.9
58.06591	23.9
59.20789	0.3
60.04515	3.6
67.05499	5.9
69.03423	0.9
69.07051	5.0
71.70683	0.6
72.08150	1.2
79.05476	2.2
81.06602	0.7
81.07043	7.3
83.04961	3.2
83.08610	2.3
85.06515	0.9
91.05463	2.9
93.07029	5.1
94.95075	0.3
95.08591	10.8
97.06519	0.9
97.10172	1.6
99.08095	1.2
100.07604	6.2
105.07015	5.4
107.08581	8.3
109.06532	0.5
109.10136	13.5
111.08054	0.9
112.99969	0.5
114.09179	0.6
117.07005	1.3
119.08566	7.8
121.10126	9.1
121.10974	0.7
123.08066	2.1
123.11693	3.8
125.09611	1.3
126.12737	0.6
127.11176	0.6
129.07018	0.8
131.08551	3.5
133.10110	7.3
133.11026	0.6
135.08067	0.6
135.11659	4.5
137.09605	0.6
137.13243	1.7
141.09096	2.3
141.95537	0.4
142.07774	0.7
143.08540	2.0
144.09386	0.5
145.10088	4.4
147.11682	4.4
149.13243	1.9
151.14944	0.5
155.08548	1.1
156.09273	0.5
157.10114	3.7
159.11679	4.7
161.13234	3.4
163.14818	0.9
169.10109	2.4
170.10901	0.7
171.11665	3.3
173.13220	3.8
175.14838	2.3
177.16379	0.6
181.10127	0.5
183.11650	2.4
185.13216	3.3
187.14799	2.9
189.16330	2.6
191.17938	0.5
195.11757	0.4
197.13249	2.2
199.14815	2.6
201.16373	3.3
203.14355	0.7
203.17924	1.4
204.18120	0.3
205.15903	0.5
207.11626	0.5
209.13240	0.7
211.14818	1.7
213.16342	2.1
215.17960	1.6
217.16074	0.4
217.19435	0.5
219.17542	0.7
223.14850	0.9
225.16444	1.6
227.17923	2.4
229.19556	1.1
237.16403	1.0
238.17134	0.5
239.17937	1.5
241.19514	1.5
245.18839	0.4
251.17969	0.9
253.19334	2.1
255.21017	1.5
257.18985	0.8
267.21066	1.2
271.20602	0.6
281.22751	0.5
283.24100	0.4
293.22897	0.5
295.24124	0.4
321.25882	0.9
323.27432	2.7
329.24716	0.5
339.27011	0.4
341.28513	0.9
357.27808	0.8
365.28564	1.0
374.08963	0.5
403.33521	1.8
421.34436	3.3
439.35770	0.7
457.36716	2.4
457.42255	0.4
498.39307	0.5
516.40436	100.0
517.40918	4.1
536.54059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31840	1.6
51.02356	1.3
52.30407	1.3
52.41087	1.3
53.03937	3.5
55.01840	1.7
55.05502	15.1
57.03408	5.7
57.07050	2.1
59.32677	1.4
63.94637	1.3
65.03928	2.0
67.05138	2.8
67.05493	54.6
69.03404	1.9
69.07052	14.6
70.81374	1.3
71.04983	2.4
79.05482	50.0
81.03416	3.3
81.07043	37.5
83.04951	6.8
83.08598	6.5
85.06541	2.4
91.04925	2.2
91.05465	29.5
93.07031	56.1
95.04963	7.6
95.08594	19.9
97.06526	9.8
97.10164	7.0
98.21493	3.1
99.08060	1.7
105.07006	18.2
107.08570	27.8
109.10116	9.2
109.15334	1.5
111.08069	1.9
117.07001	8.7
119.08557	15.3
121.10111	15.1
123.11687	2.1
129.06982	3.7
131.08534	13.8
133.10117	11.0
135.11678	37.0
136.40746	1.5
137.38147	1.3
143.08560	4.6
145.10118	18.5
147.11658	5.6
149.13251	2.9
155.08511	1.9
157.10126	5.2
159.11662	6.9
161.13200	3.4
163.11168	6.5
169.10106	2.7
171.11694	4.7
173.13240	5.1
175.14674	1.8
181.12219	5.8
183.11684	3.4
185.13232	5.4
187.14738	1.6
197.13242	1.9
214.95287	1.4
214.97839	1.6
229.00606	1.6
229.49432	1.6
254.70982	1.6
255.12846	1.8
261.22131	3.7
280.36148	1.7
423.32306	7.7
441.33640	2.3
497.36365	3.8
515.37244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
55.01863	3.1
55.05502	17.5
55.28038	1.1
57.03421	5.4
57.07056	2.3
65.03934	2.5
67.05492	53.9
69.07052	15.2
71.01349	1.6
71.04990	3.0
71.71789	2.7
79.05481	49.7
81.03384	3.7
81.07041	42.7
81.07534	1.4
83.04962	6.8
83.08611	5.5
85.06506	3.1
90.91722	1.2
91.05459	31.7
93.07027	58.3
95.04951	8.9
95.08584	26.5
95.48837	1.2
97.06506	10.5
97.10165	5.8
98.21377	1.4
99.08064	2.3
100.49202	1.2
105.04510	1.6
105.07009	17.4
106.52117	1.3
107.08573	31.4
107.09245	2.6
109.06523	2.7
109.10129	9.3
111.08077	2.3
117.06996	9.0
119.08556	15.4
121.10124	20.5
123.11673	2.4
125.09668	2.1
129.06975	4.1
131.08527	13.5
133.10097	10.5
135.11670	45.1
137.09578	2.2
141.73634	1.2
143.08534	4.6
145.10094	17.1
147.11673	6.3
149.09622	1.4
149.13217	3.1
155.08560	3.1
157.10152	5.3
159.11694	7.1
161.13248	2.1
163.11157	4.5
169.10191	3.2
171.11667	5.0
173.13202	6.1
181.12212	6.0
183.11731	3.1
185.13217	2.3
187.14810	2.7
198.01845	1.2
199.14816	1.6
211.14865	1.7
224.32584	1.4
243.21143	1.2
249.70772	1.2
261.22137	3.9
295.16602	1.3
311.73148	1.6
313.24402	1.3
317.24603	1.2
423.32642	4.4
441.33862	1.8
497.36316	3.8
515.37268	100.0
516.37604	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	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01854	1.9
55.05504	23.9
57.03426	7.8
57.07061	3.0
58.21005	1.2
65.03931	3.9
65.05905	1.2
67.05495	64.3
69.03435	1.5
69.07060	18.4
71.01349	1.7
71.04978	3.9
73.07765	1.4
74.45769	1.2
77.03896	1.4
79.05482	62.3
81.03395	4.9
81.07045	50.8
81.07530	1.3
83.04979	6.3
83.08604	8.1
85.06538	3.7
87.42558	1.2
88.29626	1.3
91.05466	40.4
93.07033	70.7
95.04962	10.6
95.08596	27.0
97.06521	10.4
97.10162	8.7
98.21409	2.9
99.08051	2.1
101.61525	1.3
105.07030	22.3
107.08581	36.3
109.06511	2.8
109.10155	14.0
111.08055	2.3
117.07005	14.0
119.08562	21.0
121.06492	2.0
121.10123	20.9
123.11680	3.1
125.09627	2.5
129.07002	4.2
131.08562	16.7
131.60817	1.3
133.10106	13.8
135.08047	2.3
135.11670	45.3
135.12640	2.4
143.08598	6.9
145.10092	18.5
147.11661	8.1
149.13229	3.6
153.12764	1.7
155.08540	1.8
157.10130	6.3
159.11661	8.7
161.13266	3.3
163.11195	7.7
169.10133	2.4
171.11662	4.5
173.13264	3.9
175.14799	1.4
181.12222	5.0
183.11668	2.8
185.13208	2.5
195.11714	2.1
197.13297	1.9
199.13284	1.6
199.14871	1.6
261.22018	3.2
329.24960	1.5
360.51752	1.6
384.31577	1.5
405.31491	2.9
423.32614	6.0
441.33582	2.8
497.36337	4.0
515.37268	100.0
516.37537	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	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05502	15.5
57.03410	4.0
57.07069	2.1
62.07866	1.5
62.48843	1.5
63.42967	1.5
65.03922	2.1
67.05495	39.3
69.03410	2.3
69.07055	13.2
69.70045	11.7
71.04985	2.8
74.19450	1.7
76.38282	1.6
79.05481	36.6
81.06606	2.4
81.07045	32.3
83.04954	7.3
83.08601	5.3
85.06519	1.7
91.05468	21.7
91.24373	1.9
92.11262	1.8
93.07028	41.5
95.04944	6.0
95.08006	1.8
95.08595	21.6
97.06508	5.4
97.10138	5.3
105.07018	19.5
107.08583	20.8
109.10155	8.9
111.08070	1.6
117.07015	12.3
117.24222	1.9
119.08569	16.1
121.10122	13.2
123.11709	4.5
128.06166	1.8
129.06990	4.5
131.08528	14.4
133.10117	10.1
135.11682	25.8
143.08560	6.7
145.10103	17.4
147.11646	7.5
149.13263	2.3
155.08537	3.9
157.10126	6.5
158.60612	1.7
159.11646	9.3
161.13214	3.3
163.11159	4.8
169.10071	4.2
171.11688	7.1
173.13281	6.2
181.10118	1.8
181.12212	3.2
183.11739	3.2
185.13249	4.4
187.14728	2.9
189.12592	1.7
195.11705	2.0
197.13237	2.7
199.14832	3.4
201.51038	1.7
209.13390	1.6
261.22076	3.0
297.21878	1.8
317.24744	2.2
332.25211	1.6
342.11792	1.9
361.23465	1.6
382.92798	1.8
405.31543	2.6
423.32648	10.8
441.33392	2.3
451.31879	2.4
459.34824	2.7
483.34769	3.7
497.36124	4.3
515.37268	100.0
516.37402	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.05502	28.6
57.03422	11.7
59.80445	4.7
61.02921	16.0
65.03946	4.9
66.91954	4.4
67.05495	93.1
67.06395	4.7
69.03413	17.5
69.07064	28.5
79.05482	63.8
81.03395	14.8
81.07048	100.0
83.04994	5.3
83.08604	14.5
83.38312	4.6
85.02904	6.2
85.06544	6.5
87.12025	4.3
91.05474	54.5
93.07030	71.7
95.04964	6.8
95.08592	74.7
97.06519	6.4
97.10146	10.2
98.21501	8.2
99.08080	5.4
101.04945	5.0
105.07013	37.9
107.04926	6.8
107.08568	46.1
109.06505	11.2
109.10125	32.6
111.08021	6.6
115.03928	5.6
115.05422	5.5
117.07003	19.1
119.08570	35.9
121.06504	5.3
121.10134	43.7
123.11692	17.1
125.09566	4.6
127.03841	4.8
129.07021	9.9
131.08549	31.2
133.04822	4.8
133.10100	32.4
135.08043	13.1
135.11673	26.7
137.09644	6.5
143.08531	10.8
145.10100	35.4
147.08075	7.1
147.11656	19.9
149.13206	23.1
151.11185	7.0
157.10136	4.9
159.11678	28.9
161.13339	14.4
163.14833	13.5
165.12700	5.5
169.10110	6.1
171.11649	8.8
173.13269	20.3
177.12729	6.5
177.16411	6.5
183.11731	4.5
185.13252	6.5
187.14754	13.6
199.14792	9.3
204.12796	4.6
243.21080	19.6
259.20401	5.5
261.22067	53.3
301.21548	7.2
303.23221	4.9
335.25970	8.4
345.24243	5.2
353.26764	18.3
358.16306	11.4
358.66336	9.4
369.24078	13.4
387.25098	8.6
393.25861	5.2
405.26285	8.0
419.28366	5.7
497.31479	9.5
515.36591	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
54.46020	3.0
55.01852	5.4
55.05500	26.4
57.03428	8.9
57.07064	4.5
61.02918	2.9
66.37504	2.9
67.05138	4.4
67.05493	72.9
69.03415	9.9
69.07055	25.2
69.29204	2.8
71.04966	4.3
71.70394	4.4
75.04433	3.5
78.42115	3.0
79.05479	53.4
81.03416	7.0
81.07040	100.0
83.04930	3.0
83.08604	12.9
85.02879	3.5
85.06542	3.6
91.05466	40.0
93.06435	3.7
93.07028	62.2
95.04939	8.7
95.08587	55.6
97.02893	3.4
97.06506	9.0
97.10165	8.4
99.08070	4.7
105.07006	44.2
107.04926	8.2
107.08570	40.1
109.06513	8.6
109.10140	26.4
111.08074	2.9
117.06970	19.8
119.08556	39.8
121.10123	32.9
123.11702	13.7
125.09650	3.9
127.03838	3.9
129.07007	10.3
131.08521	31.6
133.06406	3.3
133.10106	27.0
135.08076	3.5
135.11659	27.0
137.13176	4.0
141.06941	3.2
143.08546	14.2
145.10085	25.6
147.08046	3.5
147.11671	39.2
149.13216	17.3
153.07016	3.4
155.08553	7.3
157.10110	13.5
159.11678	20.5
161.09590	6.9
161.13226	10.9
163.14851	9.7
165.12698	24.3
167.08539	3.2
169.10097	12.2
171.11667	11.4
173.09625	3.7
173.13200	15.7
177.16327	4.4
183.11688	11.9
185.13283	7.7
187.14787	7.3
195.11740	4.6
197.13246	5.9
197.15289	4.5
207.13800	3.7
243.21053	12.1
261.22089	47.3
301.21411	4.1
313.21552	4.9
335.25717	8.6
353.26981	7.0
369.24084	4.1
423.32327	4.2
433.31094	6.0
451.31982	8.9
465.33224	5.9
483.34634	12.8
497.30020	4.8
497.36481	7.1
515.37421	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04128	2.5
53.03936	5.7
55.05504	24.5
57.03422	13.6
57.07062	4.5
61.02917	5.7
65.03933	4.5
67.05492	79.8
69.03400	8.7
69.07066	22.9
69.22323	2.7
71.04973	5.1
71.71407	5.0
73.02883	6.9
79.05482	50.2
81.03388	12.3
81.07043	100.0
83.04940	7.7
83.08599	10.0
85.02872	9.7
85.06525	4.4
91.03909	3.0
91.05463	36.0
93.07030	61.4
95.04937	13.3
95.08583	69.0
97.02869	6.0
97.06504	5.4
97.10147	8.8
99.08069	7.1
105.07005	36.6
107.04907	4.7
107.08569	35.3
109.06498	8.4
109.10146	32.6
111.04453	3.6
111.08044	3.2
113.00019	5.4
113.17932	2.8
117.06992	11.4
119.08549	27.1
121.06551	4.1
121.10123	35.6
123.08045	6.5
123.11703	15.5
125.09569	3.5
127.03899	3.5
129.06963	9.3
130.33961	2.8
131.08546	30.2
133.10101	25.6
135.08003	5.8
135.11653	24.0
137.09677	3.2
137.13184	4.9
139.11125	3.1
143.08534	7.1
145.06500	3.1
145.10126	22.9
147.11650	13.6
149.13205	17.1
155.08485	4.2
157.10185	4.5
159.08017	3.0
159.11630	17.4
161.09586	4.1
161.13200	10.3
163.11128	3.8
163.14780	10.4
165.12743	4.2
170.48543	3.1
171.11659	6.0
173.13222	13.2
175.14818	4.6
177.12630	4.1
177.16383	5.7
185.13184	4.4
187.14914	7.1
199.14740	3.9
219.68347	3.2
243.21030	15.1
245.94603	2.7
261.22116	43.3
273.18588	3.6
274.69974	3.0
279.23358	3.4
283.20602	3.9
285.21921	3.4
301.21320	3.7
303.23077	6.5
317.24802	5.2
335.25803	17.4
345.24399	7.2
351.22787	4.2
353.26898	14.2
369.24194	5.0
387.25052	3.7
405.26120	5.0
419.27631	6.2
443.27863	3.1
479.29932	4.8
497.30804	9.1
515.36938	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	515.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.05501	19.6
57.03420	6.8
57.07063	4.1
61.02917	9.5
65.03915	1.9
67.05495	88.0
69.03400	5.3
69.07053	22.3
70.30791	3.5
70.31201	7.3
71.04968	3.2
73.02901	3.6
73.96196	1.8
79.05481	52.6
81.03397	4.7
81.07042	100.0
83.04942	5.5
83.08595	8.8
85.02908	10.5
85.06512	3.1
91.05466	33.3
93.07029	61.8
95.04936	8.4
95.08589	69.8
97.02865	5.4
97.06531	6.1
97.10143	5.9
98.20770	2.2
99.04405	1.8
99.08098	5.3
103.05408	1.7
105.07010	29.5
107.08580	38.2
109.06502	8.5
109.10145	36.0
111.08080	2.0
113.09624	2.7
117.07033	12.3
119.08573	25.7
121.10132	37.1
123.08070	4.2
123.11700	14.2
125.09676	2.5
127.03909	2.8
128.06245	2.0
129.06987	3.6
131.08565	25.8
133.10129	20.7
135.07976	2.4
135.11674	25.7
137.09587	3.6
137.13225	5.2
139.11147	3.7
143.08549	3.1
145.10089	22.4
147.11659	13.8
149.13231	18.8
155.08521	3.2
157.10106	4.1
159.11658	16.4
161.13182	10.3
163.11134	2.6
163.14760	13.0
165.12653	3.3
169.10107	2.5
171.11671	4.1
173.13226	16.4
173.66762	2.2
175.11230	2.3
175.14848	4.0
177.16396	4.1
179.14294	2.8
185.13174	3.4
187.14790	9.6
199.14844	3.3
231.01135	2.2
243.21022	23.3
261.19315	2.9
261.22095	60.3
261.61072	2.2
279.23303	3.9
301.21506	3.9
303.23108	4.3
335.25729	21.8
345.24042	4.3
353.26868	15.7
369.13724	2.2
369.24506	2.2
387.20737	2.3
405.26355	2.5
419.27933	3.1
437.28391	2.5
443.28146	3.0
461.29065	2.7
497.31097	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	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62981	3.7
53.03923	3.6
55.05497	11.1
56.45372	3.7
57.03427	10.3
58.06595	4.1
67.05496	46.6
69.03423	10.0
69.07054	13.6
69.56551	36.3
70.06587	12.5
71.04971	10.4
72.08145	10.9
76.44356	4.3
79.05468	27.6
81.03413	17.2
81.07041	49.0
83.04961	12.8
83.08617	9.6
84.08145	4.5
85.02885	14.4
85.06541	6.2
86.09698	15.7
91.05471	44.9
93.07047	24.9
95.04948	44.5
95.08580	21.2
97.02871	12.8
97.06506	11.3
99.04436	4.8
99.08092	5.4
102.54038	4.2
103.03928	8.0
103.05435	4.5
105.07020	29.3
107.04920	9.3
107.08575	13.5
109.02870	5.9
109.06500	18.7
109.10128	3.8
111.04430	3.9
113.05968	4.6
119.08558	24.2
121.02851	4.9
121.10120	11.5
123.08044	4.4
123.11680	4.5
127.03916	10.6
129.06992	11.2
130.04951	3.5
131.08560	14.4
133.06514	3.5
133.10107	30.4
135.08051	7.4
135.11662	11.1
137.09575	5.5
142.07724	4.2
143.11832	4.7
143.29645	4.0
147.11639	36.7
149.09615	6.5
151.11169	7.4
152.11833	4.2
156.13800	4.3
157.10136	15.0
159.11647	4.5
165.12741	12.4
167.07121	8.9
171.11563	4.2
175.11136	29.3
181.04903	5.8
193.12206	32.5
206.11812	5.1
211.13252	20.1
243.15829	22.6
267.15906	92.3
285.16928	100.0
293.27173	4.9
389.13174	5.1
429.21219	23.7
447.21964	5.5
505.80371	3.7
514.21320	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	514.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45415	2.9
53.03928	3.9
53.98570	3.5
55.05505	8.2
57.03442	4.3
67.05488	12.9
69.03397	9.3
69.07056	5.6
70.06580	25.5
71.04976	4.9
71.70399	3.7
72.08121	8.3
72.91291	3.4
79.05473	11.9
79.22352	3.2
81.02940	5.9
81.03409	98.3
81.07039	11.7
83.04969	9.7
83.08609	29.3
84.04477	4.0
84.08136	8.0
85.02889	10.6
86.09698	13.1
87.28937	3.3
91.05479	17.7
93.06998	5.5
95.04949	37.0
95.08572	5.7
97.02874	10.9
97.10117	3.6
99.13267	3.6
103.05379	3.7
105.07002	12.7
107.04934	6.8
109.06504	5.4
109.10080	4.1
111.08064	14.0
119.08566	14.4
120.08079	7.8
121.06507	6.0
121.10149	7.0
127.03909	3.6
129.06950	8.9
131.08499	7.9
133.10118	3.9
137.09573	6.5
147.08054	3.9
147.11676	9.0
149.09607	9.2
156.13820	8.9
157.10109	12.0
175.11125	17.3
176.14944	2.9
184.57271	3.8
192.10182	6.7
193.08534	5.0
193.12204	85.0
211.13268	8.5
223.13252	17.5
232.03351	3.3
247.40796	3.1
267.15912	75.5
285.16919	100.0
286.17535	4.7
309.16803	9.4
323.05286	3.5
323.12476	6.0
363.17853	4.0
429.21420	4.5
514.38342	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	514.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02374	1.0
61.02904	0.5
65.03925	1.3
68.99768	3.4
69.03407	2.0
69.45449	1.5
69.45878	2.3
70.06580	1.3
72.08127	0.4
78.03439	15.0
80.04997	3.2
81.03397	3.4
85.02879	0.8
86.09686	0.9
93.03397	0.8
96.04472	7.0
97.02875	0.7
98.21457	0.9
105.96155	0.4
106.02894	53.5
107.01288	0.8
109.02854	4.8
111.04430	0.5
115.32702	0.4
119.06062	0.8
121.02844	31.7
123.04385	0.3
124.03928	100.0
125.04241	0.7
127.03873	2.0
135.00769	0.9
149.02325	3.7
153.01839	0.7
163.03897	0.6
165.01819	2.5
167.03409	1.1
177.01794	23.5
179.03258	0.4
181.86888	0.4
183.02878	1.6
184.07413	0.4
189.01756	0.4
190.04916	2.4
191.03326	1.6
195.02853	59.1
196.03206	1.1
205.65016	0.4
207.02867	1.2
216.96422	0.4
219.02902	1.5
229.05003	0.6
231.02896	1.2
232.06116	1.5
237.03929	0.6
247.05992	1.0
249.04002	0.6
250.07036	0.9
259.06058	1.3
261.03915	1.0
268.08118	6.8
271.05960	49.1
272.06140	1.8
300.04907	0.4
313.07016	1.3
325.06952	1.0
337.07162	0.7
355.08008	0.8
373.09332	0.6
391.10373	0.5
394.09140	13.4
395.09274	0.5
514.13226	2.0
514.30798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.0
55.01854	1.5
55.05500	10.8
57.07056	2.7
61.66468	0.8
65.03925	1.3
67.05496	19.9
68.98459	0.8
69.07065	7.9
69.84225	0.8
71.04976	1.7
71.08600	1.4
71.70110	1.1
72.04056	0.8
72.32251	0.8
79.05476	15.6
81.07042	18.4
83.08608	6.2
85.06537	1.2
88.12177	0.9
89.06030	1.1
91.05466	14.8
93.07022	13.6
95.04939	1.4
95.08586	12.4
97.06495	2.8
97.10147	2.6
105.07014	13.8
107.08564	8.2
109.06483	1.1
109.10123	4.8
111.07981	0.8
115.05406	1.5
117.06995	10.8
119.08561	11.3
121.10118	4.3
123.08050	1.7
123.11659	1.1
125.09605	1.3
128.06187	4.0
129.06975	15.1
130.07773	2.4
131.08548	17.3
133.10095	10.5
135.11696	3.7
141.06972	4.3
142.07753	2.5
143.08543	16.9
145.06442	0.8
145.10094	15.9
147.08028	1.0
147.11679	2.9
151.11115	1.0
154.07756	1.6
155.08530	10.5
156.09348	2.0
157.10098	16.3
158.04176	1.3
159.11662	11.7
161.13237	1.9
163.11113	0.8
165.06926	1.1
167.08548	3.5
168.09427	1.0
169.10097	10.9
171.11673	12.0
173.09607	0.9
173.13235	6.6
181.10100	5.8
183.11673	12.7
185.13248	9.8
187.14803	3.0
193.10031	1.6
195.11626	5.6
197.13213	9.3
199.14854	4.7
201.16428	1.4
207.11673	2.0
209.11465	1.4
209.13170	5.8
211.14844	5.6
213.16328	1.9
219.74699	1.0
221.13239	2.5
223.14862	4.8
225.16441	2.2
231.17229	0.9
233.13052	1.2
235.14789	2.3
237.16400	1.4
241.19449	1.0
249.16418	0.9
251.18007	1.4
253.15683	1.2
256.26337	1.1
259.20627	1.4
263.18024	1.6
267.21167	1.0
269.19156	1.2
283.20547	1.1
283.26376	1.0
287.20013	1.3
291.20959	1.5
295.20538	1.3
297.22110	2.1
309.22101	3.1
311.23581	1.5
313.21552	1.4
315.23068	1.1
323.23627	1.4
325.21661	1.1
327.23322	1.7
341.24484	1.2
403.29758	6.0
421.30945	17.7
439.32022	6.6
457.33069	1.3
477.33295	1.8
495.34692	9.4
513.35699	100.0
513.50806	4.0
514.36011	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01845	1.6
55.05499	11.2
57.07066	1.9
62.14983	0.6
65.03938	0.8
67.05495	19.9
69.07058	9.8
69.48953	3.6
69.49388	2.2
70.39074	0.5
71.04974	1.5
71.08613	1.2
71.78246	0.5
79.05479	17.1
81.03385	0.8
81.07042	21.2
83.04964	2.1
83.08595	5.0
85.06541	1.5
91.05462	17.1
93.07025	15.5
95.04958	2.7
95.08592	12.8
97.06512	2.8
97.10150	3.4
103.05418	0.6
105.06325	1.3
105.07012	17.4
105.07728	1.2
107.08572	8.7
109.06506	0.7
109.10141	4.7
111.08065	1.4
115.05460	2.1
117.06995	9.3
119.08560	14.8
121.10124	4.7
123.08044	1.5
123.11665	0.7
125.09597	1.9
128.06216	2.4
129.07004	9.9
131.08542	13.9
133.08571	0.8
133.10101	10.8
135.08029	1.5
135.11665	4.5
137.09592	1.0
141.06973	3.7
142.07758	3.3
143.08533	13.9
144.09297	0.8
145.10088	14.2
147.11636	5.7
149.09634	0.8
149.13179	1.0
154.07770	1.1
155.08533	6.9
156.09294	1.9
157.10097	13.1
158.10757	0.8
159.11674	8.6
161.13255	2.0
161.15224	0.8
163.11224	1.1
165.07080	0.9
167.08539	2.1
168.09282	1.0
169.10086	8.8
171.08113	0.7
171.11665	12.1
173.13240	7.3
177.12709	0.8
179.08549	1.4
181.10106	4.6
182.10887	0.7
183.11650	9.3
185.13243	7.8
187.14796	2.2
193.10141	1.2
195.11638	4.2
197.13222	7.2
199.11194	0.9
199.14813	5.0
201.16396	0.7
207.11748	1.8
209.13176	4.3
211.14822	3.9
213.16408	1.9
221.13280	2.2
223.14824	1.8
225.16417	1.8
235.14719	1.7
237.16437	1.9
239.18079	0.8
241.19597	1.0
243.17448	0.7
249.16301	1.0
251.18011	0.8
259.20554	1.6
261.18509	2.2
263.17892	0.8
267.17267	0.9
269.19019	1.8
275.20041	1.0
277.19440	1.3
279.21017	0.7
283.20474	1.2
284.26651	0.7
295.20578	1.2
297.18741	0.6
297.21988	1.5
299.23630	0.7
301.21863	0.7
309.22070	2.4
311.23645	0.9
313.21619	1.1
315.23233	2.2
321.22253	0.8
323.23514	1.0
327.23196	0.9
339.23172	1.2
347.24048	0.6
353.24719	1.2
403.29849	5.4
421.30981	14.4
435.45972	0.6
439.32263	6.3
457.33188	2.6
459.32336	1.2
477.33643	0.9
495.34485	5.7
513.35687	100.0
513.51221	2.1
514.36023	3.9
533.73572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01857	10.5
55.05495	32.0
57.03426	50.3
57.07064	2.6
61.02913	28.1
65.03932	3.9
67.05492	82.3
69.03417	32.3
69.07063	27.5
70.02602	11.7
71.01355	3.4
71.04980	20.6
73.02923	13.3
73.81239	2.0
75.04472	3.1
79.05480	88.2
81.03401	31.0
81.07043	100.0
83.04970	13.4
83.08620	15.4
85.02888	40.6
85.06527	7.0
86.09689	2.5
88.96030	2.1
91.03939	14.2
91.05469	74.1
93.07028	98.3
95.04946	16.3
95.08589	78.4
95.09195	4.1
97.02876	42.7
97.06508	10.3
97.10146	7.1
99.04422	10.2
99.08073	6.1
101.02357	9.5
102.14651	2.3
103.03926	9.4
104.66830	2.1
105.04510	4.3
105.07011	62.1
107.04957	2.8
107.08585	64.7
109.02851	11.1
109.06499	8.7
109.10138	29.9
111.04465	4.8
111.08086	6.0
113.09668	3.0
115.03857	3.2
117.07001	24.5
119.08557	51.2
121.06469	4.1
121.10120	54.7
123.08063	9.6
123.11683	7.5
125.09639	4.5
127.03886	22.5
129.05457	10.0
129.06950	10.7
131.08548	30.4
133.06500	3.3
133.10115	47.1
134.73293	2.2
135.08058	4.6
135.11670	37.0
137.09569	5.8
137.13239	2.6
139.11131	4.1
143.08534	14.7
145.04953	6.5
145.10088	32.5
145.11087	3.4
147.11659	34.9
149.09592	7.7
149.13242	24.5
151.11162	6.7
153.12714	3.0
155.08635	3.4
157.10109	10.1
159.11673	27.9
161.09569	2.9
161.13249	18.3
163.11189	6.9
163.14816	10.3
165.12772	6.1
167.10709	2.5
171.11652	14.9
173.13269	15.8
175.11209	4.2
175.14806	10.4
177.12729	6.5
179.14262	3.2
183.06490	2.9
183.11679	4.4
185.13222	11.0
187.14774	15.2
189.12796	4.2
189.16281	4.1
191.14265	6.0
195.11656	3.2
195.13823	2.9
199.14784	6.2
201.07594	2.4
201.12695	2.6
201.16391	4.9
205.15849	7.9
207.17525	2.8
215.14447	3.3
219.17351	3.6
221.15297	3.0
221.18961	5.3
231.21036	4.4
241.19443	18.2
259.20560	38.3
260.99442	2.5
275.19904	5.1
277.21606	35.1
293.21008	4.4
295.99481	2.3
301.21695	5.0
333.24185	9.0
340.10660	2.4
349.23804	3.7
351.25232	74.6
379.24597	3.1
393.26517	3.0
495.29300	4.7
510.53857	2.6
513.30090	8.1
513.35962	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23947	5.4
55.05493	13.9
57.03424	10.3
57.07055	6.0
61.02910	20.2
63.25592	4.9
67.05499	41.3
69.03416	12.3
69.07054	15.5
69.41654	4.3
69.83842	6.4
69.84184	34.8
73.02895	6.3
79.05486	37.9
81.03397	16.1
81.07052	39.5
83.08611	10.8
85.02887	16.2
88.26955	4.4
91.03925	14.8
91.05465	38.4
93.07028	54.1
95.04918	7.2
95.08613	22.4
97.02881	15.1
97.10117	5.8
105.07027	44.3
107.04932	5.6
107.08565	32.6
109.02913	4.3
109.10189	8.5
109.37151	5.4
117.06981	11.6
119.08572	32.6
121.10131	18.5
123.11647	4.7
127.03947	8.3
129.06990	5.9
131.08554	20.9
133.10123	32.8
135.11723	24.4
135.99640	4.7
143.08560	9.8
145.10109	21.1
147.11670	25.8
149.09601	5.5
149.13249	10.6
157.10149	12.0
159.11674	14.6
161.13219	15.3
171.11684	12.5
173.13235	14.2
175.14809	12.1
185.13159	9.9
199.14833	5.8
216.90598	5.3
217.16025	5.6
241.19496	18.3
259.20554	52.8
277.21603	9.5
279.20593	5.5
295.37900	4.7
301.21445	5.1
351.25241	100.0
413.21207	5.2
441.26328	11.2
459.27496	9.0
480.38705	4.8
495.29425	7.4
513.30286	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.8
57.03425	6.0
61.02910	18.7
67.05501	15.6
69.03405	4.9
69.07040	7.7
70.24414	5.3
70.24815	5.3
71.01304	2.1
71.04975	2.2
73.02898	5.2
75.47212	2.4
76.10779	2.3
79.05097	2.2
79.05490	21.7
81.03394	4.6
81.07047	19.7
83.08582	3.1
85.02907	14.1
91.03923	6.8
91.05461	23.8
93.07029	27.7
94.07336	2.1
95.04936	2.1
95.08588	16.8
97.02869	9.0
97.06528	2.9
104.94149	2.2
105.07009	31.4
107.08576	17.2
109.06479	2.2
109.10146	4.7
117.06976	9.5
119.08553	22.3
121.10147	15.0
122.10423	2.3
127.03846	2.9
129.06960	5.4
131.08553	15.2
133.10097	25.1
135.11671	18.3
138.43207	2.9
140.74969	2.1
143.08546	6.0
145.10104	17.4
147.11682	21.6
149.13220	9.4
155.08507	3.4
157.10112	6.6
159.11702	13.8
161.13266	17.5
163.11084	2.6
163.14763	2.9
171.11650	9.0
173.13213	8.6
175.11302	2.5
175.14806	9.4
185.13225	8.6
187.14745	3.8
189.12721	3.8
195.11534	2.5
199.14844	5.5
231.21135	5.4
241.19528	17.4
259.20538	44.3
275.19922	4.1
276.20389	2.5
349.23505	6.4
351.25238	100.0
352.25052	3.0
363.25314	4.5
367.22485	2.9
417.26614	2.3
441.26291	4.2
459.27371	5.2
477.28513	4.3
495.29193	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	513.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90155	4.1
55.05494	9.5
57.03419	7.6
59.81333	3.6
61.02904	15.8
67.05489	34.8
69.03418	7.7
69.07049	10.1
70.33215	14.9
70.33606	7.9
73.02878	7.6
79.05484	34.8
81.03401	4.9
81.07045	39.3
81.75115	3.8
85.02885	13.3
91.03942	7.4
91.05475	33.6
93.07034	51.7
95.08585	17.7
97.02884	10.4
97.10118	8.6
105.07018	32.8
107.08588	28.5
109.10104	7.5
117.06998	7.4
119.08578	29.6
121.10117	26.5
123.11655	4.0
125.56451	3.8
129.06958	5.6
131.08577	22.0
133.10103	29.0
135.11652	30.2
141.85641	3.8
143.08519	8.3
145.10066	21.1
147.11638	30.8
149.13245	17.7
155.08540	4.0
157.10089	4.2
159.11688	15.0
161.13240	24.2
163.14865	6.6
171.11635	11.6
173.13245	12.4
175.14748	8.9
185.13226	10.3
187.14745	3.9
227.57774	3.7
231.21086	4.5
241.19446	14.4
259.20532	54.6
277.21671	11.5
333.24191	11.8
349.23721	7.0
351.25256	100.0
358.42133	4.5
367.22476	5.0
419.84332	5.1
441.26190	6.8
495.29541	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	513.3052
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
52.21635	2.0
54.36804	2.0
55.05500	7.3
57.03426	5.9
60.63939	2.4
61.02922	12.9
67.05504	18.5
69.03430	4.0
69.07059	7.5
69.54871	22.6
69.55259	4.4
71.04972	3.8
73.02921	2.6
79.05490	21.4
81.03414	3.4
81.07048	21.3
82.86014	2.1
83.08596	2.9
85.02889	11.4
85.52916	2.4
91.03955	4.5
91.05458	19.5
93.07035	35.6
94.28405	2.3
95.08599	15.5
97.02876	8.2
105.07023	23.3
107.08571	20.8
109.10104	4.3
117.06980	8.1
119.08563	20.7
121.10124	16.5
129.07019	5.4
131.08534	13.5
133.10104	20.1
135.11673	19.3
143.08536	6.7
145.10135	8.5
147.11656	20.2
149.13254	12.3
155.08501	3.3
157.10126	4.1
159.11714	11.3
161.13264	19.1
163.14810	5.8
171.11664	7.1
173.13283	9.4
175.14836	14.3
185.13278	6.0
189.12733	3.6
199.14711	4.0
217.19408	2.5
241.19443	19.9
259.20581	47.7
277.21652	5.3
333.24167	8.2
349.23859	3.7
351.25253	100.0
352.25684	7.3
363.25015	3.0
441.26379	5.0
477.28259	4.0
495.29895	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	513.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
53.03940	5.1
57.03432	0.6
61.53653	0.6
65.03930	1.4
65.39721	0.6
67.05455	1.0
68.99785	2.3
69.03411	2.9
69.07064	0.8
70.06571	1.6
71.62238	0.7
71.62568	1.0
72.08138	0.8
75.76708	0.7
77.03912	1.7
79.05477	0.9
79.53770	0.6
81.03397	4.6
81.07046	1.4
84.08143	0.9
85.02903	1.3
85.89941	0.6
86.09679	0.8
93.03401	1.1
95.04957	9.9
97.02884	1.1
105.03378	100.0
105.06985	1.1
106.03712	1.3
106.99844	0.6
107.01291	1.0
107.04972	0.7
107.08578	0.9
109.02875	2.4
115.47167	0.7
119.08556	0.8
121.02850	34.9
122.68420	0.8
123.04407	1.5
127.03889	3.2
137.05931	1.0
149.02328	4.5
151.03914	1.7
153.01842	2.2
156.13765	1.2
164.10555	0.6
165.01837	1.5
167.03369	1.6
173.05971	1.3
175.20633	0.6
177.01819	18.6
177.03366	0.9
183.02876	2.2
187.07524	0.9
189.05493	1.2
191.03378	1.6
195.02876	24.7
207.02979	0.7
219.02957	1.5
229.04984	1.5
243.06598	1.1
247.05997	1.8
249.03859	0.8
249.07571	1.2
257.04575	0.8
261.03879	1.3
267.08640	6.8
271.05978	64.5
272.06342	1.6
285.04031	2.1
313.07037	2.5
325.07150	0.8
393.09735	1.1
427.13953	4.3
465.76062	0.8
480.00919	0.7
513.16791	0.8
521.24225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52691	0.9
66.04781	1.0
71.19836	2.8
76.44990	1.1
82.99868	2.6
94.99857	1.5
101.00883	11.5
101.39056	1.2
103.02415	4.4
113.00841	2.2
113.60426	1.1
115.02408	1.2
117.03982	3.9
119.01905	31.3
119.02755	1.6
121.03496	3.0
121.20629	1.0
127.02392	5.4
129.00362	1.0
131.01891	14.0
133.03445	2.2
135.05009	3.0
137.02921	2.8
139.02451	1.4
143.01881	25.5
144.02162	1.0
145.03441	28.7
146.03526	1.0
147.01389	5.0
149.02966	2.5
155.01866	19.3
157.03450	10.5
159.05013	2.9
161.02946	35.4
163.04510	4.5
165.02457	2.6
167.01869	9.7
169.03439	5.5
171.01360	14.3
171.04994	3.6
173.02945	26.5
175.04527	2.9
179.01932	4.3
184.04491	1.8
185.01268	2.4
185.02928	43.8
186.03079	1.9
187.02844	1.9
187.04480	10.4
189.02402	27.6
191.04056	2.1
196.04562	1.6
197.02959	16.0
198.03047	1.5
199.00792	1.3
199.04495	2.5
201.02438	4.6
203.03979	11.2
207.03471	9.7
208.04587	1.8
209.03014	2.4
212.04147	1.1
213.02484	5.3
215.04030	9.6
217.01912	1.6
221.04985	1.9
225.02394	2.1
227.04010	7.9
231.03467	92.3
232.03645	2.3
243.03494	14.9
245.05038	100.0
246.05255	3.9
247.04936	2.0
249.02536	1.3
249.04585	12.5
255.03519	4.2
257.05035	8.6
261.04532	15.5
263.06140	14.2
267.56583	1.3
272.06271	1.9
273.04510	4.4
275.06073	14.6
291.05554	14.6
293.07147	4.2
305.07126	10.0
315.05533	4.2
333.06598	21.6
335.03864	1.4
335.08356	3.6
351.07629	8.8
365.09064	6.8
393.08444	1.3
408.69052	1.3
470.32425	1.1
513.12909	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	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.6
55.01865	13.8
55.05502	15.6
57.03432	9.0
57.07072	1.2
61.02915	26.8
64.75586	1.2
65.03935	1.5
67.05493	31.3
69.03424	14.6
69.07059	26.4
70.13011	2.6
70.13425	4.8
71.01314	1.8
71.04970	2.8
73.02911	12.7
79.05480	26.5
81.03409	21.6
81.07044	51.0
83.04971	7.8
83.08616	7.0
85.02895	25.4
85.06522	1.8
87.04460	1.4
91.03938	12.1
91.05468	40.4
93.07034	30.3
95.01309	8.2
95.04953	10.7
95.08591	26.3
97.02879	22.0
97.06518	26.2
97.10122	1.7
98.21304	1.6
99.04427	5.1
101.02361	7.8
103.03881	2.0
103.05486	1.5
105.07018	69.9
106.07346	1.7
107.04948	15.9
107.08582	12.9
109.02850	6.9
109.06495	4.1
109.10120	7.2
110.54710	1.2
111.04399	1.8
111.08040	2.3
113.09626	1.4
115.05428	1.4
117.07003	10.6
119.08563	32.9
119.51842	1.3
121.06470	2.4
121.10136	7.2
123.04411	2.5
123.08065	4.1
123.11659	2.1
125.09605	2.7
127.03906	12.5
129.05495	1.7
129.07005	2.5
131.08542	19.0
133.06487	1.4
133.10114	40.1
135.08028	2.8
135.11717	7.2
137.09569	2.9
139.07495	2.4
141.06995	2.6
143.08545	3.1
145.04919	2.6
145.06474	2.0
145.10107	18.4
147.08015	1.8
147.11639	16.0
149.09576	6.2
149.13200	4.3
151.11205	3.2
155.08676	1.6
157.10088	3.4
159.11688	12.8
161.13225	4.6
163.11125	4.5
165.09097	2.9
169.10110	2.3
171.11639	3.1
173.13266	2.6
177.12709	4.3
179.14281	17.8
182.10927	1.6
183.06499	2.8
183.11702	2.7
187.11182	4.3
193.12149	1.7
195.13751	2.2
197.13232	3.1
201.07639	1.3
201.12779	1.4
205.12117	1.6
229.19406	2.2
233.15433	1.3
239.17825	2.9
241.14256	1.6
247.20558	3.5
257.19016	8.2
275.20029	100.0
275.46582	1.3
276.20322	3.7
279.15826	1.5
293.21091	2.5
321.47321	1.5
349.23685	36.9
377.22971	3.9
399.52768	1.3
457.25320	1.9
493.28156	3.4
494.27866	1.5
506.61279	1.6
511.28812	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	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58982	1.7
53.03945	11.1
55.01863	12.0
55.05504	43.2
56.43547	2.1
57.03426	29.0
58.60254	1.8
58.83938	1.9
59.04969	2.5
61.02920	32.2
65.03933	5.2
67.05492	58.4
69.03417	37.8
69.07057	36.5
69.58389	18.1
71.01344	4.8
71.04983	7.6
72.08144	5.3
73.02895	11.1
79.05482	57.6
81.03405	42.0
81.07042	63.0
83.04964	11.1
83.08610	21.3
85.02896	35.7
85.06510	5.0
87.04456	2.0
91.03927	13.7
91.04912	4.6
91.05461	59.6
93.07025	51.6
95.04942	14.7
95.08587	38.8
97.02872	30.2
97.06510	16.0
97.10145	22.7
98.20726	4.1
99.04454	12.2
99.08095	3.0
101.02369	7.4
103.03938	5.5
105.07014	60.3
107.04926	13.6
107.08582	64.2
109.02855	14.9
109.06493	9.3
109.10144	20.7
111.04400	3.7
111.08068	5.0
115.03945	2.9
115.05534	2.0
117.06986	18.2
119.08566	38.3
120.08102	4.3
121.06493	7.4
121.10136	18.6
123.08041	6.3
123.11658	3.5
125.09600	25.6
127.03905	20.2
128.06203	3.2
129.05463	3.4
129.06938	10.4
131.08546	28.6
133.06465	2.6
133.10104	32.8
135.08028	9.8
135.11644	11.0
137.09610	4.5
141.07001	2.3
143.08549	8.3
143.10654	2.4
145.04964	3.5
145.06438	4.1
145.10109	30.8
147.08035	4.9
147.11639	25.2
149.09592	19.0
149.13222	4.5
151.11128	4.2
153.09091	2.6
155.08498	4.4
157.10127	8.7
159.11665	23.1
160.93861	2.1
161.09628	3.7
161.13187	5.3
163.09862	2.0
163.11182	11.5
165.12764	3.4
169.10123	4.5
171.10277	4.2
171.11681	8.1
173.04379	3.9
173.09544	2.4
173.11797	3.7
173.13171	15.1
175.11217	3.5
177.12718	5.6
179.14299	3.1
181.12109	2.7
183.03009	2.2
183.06526	4.8
183.11693	4.0
185.13251	8.3
187.11256	2.5
187.14804	3.2
189.11197	29.8
189.12735	2.3
191.14281	1.9
193.12250	2.4
195.13797	2.3
197.13324	3.1
199.14841	2.4
201.07585	2.2
201.12616	2.8
201.16269	2.5
203.14262	2.5
205.12297	3.4
209.11673	3.1
212.95930	2.0
215.14343	2.7
216.00339	2.0
219.17509	5.7
224.08273	1.9
227.12703	14.9
229.14227	2.2
229.19487	6.2
239.17928	10.9
241.10602	2.7
245.13760	2.6
247.20598	5.1
257.18933	20.9
275.20029	100.0
275.23047	4.9
276.20285	3.7
293.20947	4.2
299.19968	3.0
331.22736	5.1
347.22055	2.6
349.23694	72.5
366.18661	2.4
367.24692	3.7
373.23749	2.5
377.23199	4.1
383.22379	2.8
383.57974	2.3
391.24927	3.3
438.94409	2.1
457.25638	3.6
475.26901	3.5
493.28018	5.3
511.28888	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.1
55.01868	12.3
55.05500	30.4
57.03429	41.3
59.66780	4.5
61.02916	34.8
65.03925	4.9
67.05496	70.3
69.03420	41.6
69.07066	37.8
69.49198	37.0
71.01339	6.9
71.04984	14.1
73.02900	17.1
79.05479	72.0
80.31547	3.4
81.03407	44.9
81.07047	77.5
83.04974	14.4
83.08607	18.0
85.02894	46.4
85.06558	5.3
91.03953	19.7
91.05463	80.0
93.07034	73.2
94.89780	4.2
95.04966	17.4
95.08599	44.8
95.66019	3.3
97.02885	43.7
97.06521	15.9
97.10155	11.8
99.04445	7.5
99.08073	6.7
101.02375	11.1
103.03958	7.7
103.05424	3.6
105.07023	85.1
107.04923	6.5
107.08574	44.6
109.02849	21.1
109.06509	15.4
109.10144	22.9
111.04422	5.7
111.08081	8.0
115.05447	6.6
117.06997	35.0
119.08562	66.1
121.06480	5.8
121.10106	31.6
123.08086	9.0
123.11707	4.9
125.09611	11.5
127.03886	21.5
128.06219	6.4
129.05478	7.0
129.07011	22.3
131.08549	47.8
133.10097	47.6
135.08058	7.9
135.11690	12.7
141.06958	5.7
142.07742	3.8
143.08536	16.9
145.06471	3.6
145.10104	53.5
147.06856	3.6
147.07977	7.3
147.11696	26.6
149.09612	20.2
149.13232	4.2
155.08528	9.9
157.10117	16.0
159.08020	4.7
159.11681	43.1
161.09612	7.9
161.13248	11.7
163.11159	13.3
169.10118	11.5
171.11685	16.3
173.13211	20.4
173.81633	3.8
175.11194	4.2
175.14841	4.6
183.06566	3.9
183.11694	11.6
185.13234	17.7
187.11147	9.2
189.11250	10.2
193.12308	3.8
195.11707	6.8
197.13235	10.0
203.14281	9.6
213.16319	7.7
219.17433	6.6
229.19394	7.0
239.17924	15.7
241.49930	4.4
247.20720	5.2
257.18988	34.7
275.20059	74.8
293.21039	5.7
297.35739	3.8
303.60223	3.9
331.22644	7.9
349.23669	100.0
475.26529	5.7
493.27707	7.9
511.28992	26.9
525.09546	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	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32552	2.0
53.00303	1.9
53.03929	9.5
55.01875	14.3
55.05504	21.5
57.03431	22.0
61.02911	11.8
65.03923	2.2
67.05493	45.4
67.98972	2.2
69.03419	29.1
69.07063	34.4
70.33643	5.1
70.34042	4.1
71.01340	2.9
71.04965	6.1
73.02914	9.8
79.05476	45.7
79.12486	2.2
81.03407	37.9
81.07043	100.0
83.04971	9.0
83.08604	10.9
85.02895	25.6
85.06532	2.8
91.03946	3.4
91.05465	44.0
93.07028	36.5
95.04964	15.6
95.08590	32.7
97.02876	23.2
97.06513	16.9
97.10146	4.3
99.04459	8.2
99.08070	6.2
101.02379	4.1
103.03934	3.9
105.07019	33.7
107.04263	2.6
107.04938	9.5
107.08584	23.2
109.02856	10.9
109.06505	38.0
109.10144	14.4
111.04431	3.1
111.08057	4.7
113.09617	2.7
115.03905	3.1
115.05402	2.9
117.07006	11.6
119.08556	27.9
121.06507	5.5
121.10120	14.1
123.04450	2.6
123.08012	10.3
123.11674	4.4
125.09586	4.5
127.03886	17.9
129.05482	2.0
129.06992	7.1
131.08545	18.6
133.06430	4.7
133.10110	22.9
135.08038	8.7
135.11676	7.7
137.09573	4.1
139.07536	2.5
141.07019	3.7
143.08501	4.1
145.04990	2.2
145.06468	3.2
145.10104	18.3
147.07996	4.2
147.11646	21.9
149.09624	13.5
149.13251	9.5
151.11226	5.0
155.08545	3.9
157.10132	6.8
159.07954	3.4
159.11667	11.3
161.09654	4.7
161.13257	6.1
163.11119	10.3
163.14806	4.8
165.12712	5.9
169.10100	3.5
171.11678	4.3
173.09613	3.6
173.13246	12.6
175.11140	4.2
177.12730	4.1
179.14317	3.0
183.06450	4.0
183.11617	2.8
187.11130	4.0
187.14784	3.3
193.12164	2.4
197.13295	3.2
199.11189	2.3
199.38391	1.8
201.07478	2.4
205.12234	2.9
217.15927	2.7
221.15343	2.1
229.19489	8.3
239.17960	4.8
247.20601	10.8
257.18942	9.4
275.20047	80.7
276.20447	3.3
293.21133	10.3
307.79123	2.2
317.20972	2.9
319.14902	2.2
331.22513	2.5
344.24149	2.1
349.23718	39.4
363.11148	2.1
367.24640	4.7
391.24780	5.9
401.23154	2.7
419.24249	2.9
433.25598	3.0
475.26175	2.7
493.27878	7.8
511.28830	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.7
55.01854	10.5
55.05505	30.4
57.03195	3.2
57.03426	34.4
61.02913	10.5
62.74897	2.9
65.03901	4.6
67.05138	4.5
67.05493	82.3
69.03416	45.1
69.07054	27.9
69.49456	23.0
71.01356	3.1
71.04977	13.9
73.02901	9.6
79.05479	64.1
81.03406	73.4
81.07043	100.0
83.04976	19.6
83.08606	12.8
85.02891	37.8
85.06541	5.3
91.03940	3.5
91.04919	4.4
91.05465	62.1
93.06427	3.8
93.07025	61.7
95.04966	16.8
95.08586	49.6
97.02316	4.1
97.02881	43.5
97.06503	11.7
97.10147	5.9
98.21407	4.3
99.04455	12.5
101.02342	5.8
103.03939	5.7
105.07008	58.3
105.90689	2.7
107.04944	13.4
107.08579	38.4
107.34956	2.5
109.02878	15.1
109.06513	11.1
109.10123	20.8
111.04428	8.1
111.08084	8.5
116.06260	2.8
117.06988	24.0
119.08561	42.6
121.06494	3.7
121.09386	2.6
121.10144	18.0
123.08037	10.9
123.11671	6.5
125.09617	4.0
127.03913	25.4
128.06142	4.0
129.05460	4.6
129.06970	8.6
131.08531	28.5
133.06433	4.8
133.10097	37.3
135.08022	9.4
135.11687	14.6
137.09586	6.9
143.08542	10.4
145.04933	3.5
145.06441	4.0
145.10091	28.0
147.08060	4.7
147.11655	25.5
149.09573	13.4
149.13254	13.4
151.11060	2.7
155.08485	3.6
156.21982	2.9
157.10114	10.5
159.08002	5.7
159.11653	30.3
161.13239	4.4
163.11137	7.3
165.12701	6.0
169.10048	5.0
171.06509	2.7
171.11685	8.9
173.04396	20.9
173.09586	2.9
173.13229	12.0
175.11163	6.1
177.12711	9.4
179.14204	2.5
183.06506	3.7
183.11696	6.1
187.11128	4.8
187.14806	3.9
189.11218	3.5
195.13800	8.2
197.13171	3.9
206.62790	2.9
209.11356	2.5
213.14746	2.8
224.31885	2.3
229.19424	4.1
239.17924	6.8
247.20496	12.1
257.18848	13.1
263.20065	2.9
269.17413	8.3
275.20023	65.6
293.21109	4.9
299.19894	3.3
303.15707	4.0
331.22467	4.5
349.23672	53.3
359.22562	3.0
387.78714	3.2
391.24466	3.4
406.21530	2.7
413.21432	23.5
458.86188	2.8
493.27393	5.2
511.29102	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	15.8
55.01864	7.4
55.05499	23.4
57.03427	26.1
61.02914	7.3
65.03920	3.6
67.05141	4.5
67.05491	66.1
69.03420	50.3
69.07060	21.0
71.01314	3.6
71.04992	18.0
71.15057	6.1
71.15400	4.1
73.02908	5.8
79.05483	49.5
81.02937	5.3
81.03403	82.5
81.07042	100.0
83.04961	20.3
83.08599	11.7
85.02892	27.7
85.06528	6.7
91.03939	3.7
91.05465	58.4
93.07032	51.8
95.04922	12.4
95.08588	33.4
97.02883	43.5
97.06487	12.0
99.04430	13.2
99.08057	4.9
101.02358	5.6
103.03921	4.5
105.07012	46.6
107.04914	9.7
107.08572	27.9
109.02868	13.3
109.06482	12.5
109.10159	17.4
111.04410	8.4
111.08036	5.9
117.07000	18.1
119.08574	35.3
121.06481	6.3
121.10100	17.8
123.04403	3.8
123.07997	7.6
123.11694	7.3
127.03915	20.0
129.05434	6.0
129.06961	6.1
131.08548	28.3
133.06502	3.9
133.10100	29.8
135.08009	5.8
135.11671	13.5
137.09532	4.6
141.06940	3.7
143.08521	6.4
145.10086	22.3
147.07996	3.4
147.11674	19.0
149.09578	6.9
149.13232	14.9
151.11119	4.2
153.15297	3.2
155.08522	4.4
157.10066	6.5
159.07961	4.5
159.11687	19.8
161.09560	4.7
161.13248	6.1
163.11116	5.2
165.12672	3.1
171.11632	9.7
173.04437	29.8
173.13240	10.8
175.11194	3.4
177.12700	9.2
183.06537	3.8
183.11681	4.5
185.13237	3.2
195.13695	19.2
197.13164	4.9
213.12741	3.2
239.17932	5.3
247.20613	6.0
257.18887	12.5
269.17413	8.3
275.20065	58.5
339.17816	5.4
349.23715	35.9
413.21680	38.2
493.27798	5.4
511.29007	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.01863	10.1
55.05504	65.2
57.03440	11.5
61.02921	35.6
64.36729	1.8
64.48565	1.8
65.03931	2.0
66.99664	1.5
67.05492	31.2
69.03423	19.1
69.07064	21.1
71.04977	5.3
73.02905	18.4
78.91222	1.6
79.05479	20.1
80.02527	1.7
81.03413	22.5
81.07046	26.5
82.27024	1.6
83.04974	6.1
83.08611	100.0
85.02898	30.5
91.03938	14.4
91.05462	31.1
93.07030	24.9
95.04951	14.6
95.08588	16.0
97.02892	22.9
97.03487	2.9
97.06536	5.4
97.10205	2.0
99.04446	5.6
99.08068	3.1
101.02357	6.7
103.03916	3.4
104.91293	2.0
105.07011	20.6
107.04930	33.4
107.08595	14.7
109.02873	7.2
109.06504	4.0
109.10194	4.2
111.04472	2.7
111.08069	17.0
111.77341	1.7
114.51576	1.8
117.07009	12.1
119.08535	12.8
121.06476	2.9
121.10110	9.9
123.08056	2.4
127.03896	14.0
129.07024	4.0
129.83696	1.9
131.08527	10.7
133.10101	13.2
135.08083	2.8
135.11690	9.1
139.11246	3.3
139.25182	2.1
143.08545	3.4
145.04898	3.5
145.06490	3.7
145.10112	20.3
147.11632	13.7
149.09589	16.9
149.13295	3.0
151.11139	3.9
154.40659	1.8
155.08488	2.8
157.84009	2.0
159.11668	8.8
161.13191	3.0
163.11159	34.1
165.12701	12.5
171.11659	1.7
173.09654	4.5
173.13251	4.7
175.11188	3.2
177.12656	2.2
179.10643	2.5
183.06609	2.3
183.11681	2.2
185.11734	4.2
187.11122	1.9
189.12764	3.2
191.10645	2.6
201.12727	3.3
205.12425	2.1
215.12726	2.2
229.19383	2.4
229.45837	1.8
242.43903	1.8
247.20451	3.1
249.91068	2.0
257.19055	6.0
275.20035	44.7
293.21130	15.0
323.81161	2.0
349.23697	42.5
390.68524	2.1
391.24820	3.2
493.28015	3.5
511.28757	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	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01869	8.3
55.05502	21.9
57.03423	13.8
57.07069	2.2
61.02915	34.7
61.05504	1.1
65.03926	3.5
67.05489	37.8
69.03418	18.5
69.07059	19.1
70.09931	6.7
71.01342	2.3
71.04987	5.7
73.02905	14.4
79.05477	41.2
81.03404	18.7
81.07039	45.0
83.04966	11.2
83.08617	7.6
85.02887	26.7
85.06520	3.2
87.04446	1.3
91.03944	11.2
91.05463	44.0
91.06040	2.1
92.05800	1.3
93.03355	1.3
93.07026	30.8
95.01335	2.0
95.04969	8.3
95.05492	1.3
95.08591	22.5
97.02876	22.3
97.06505	11.4
97.10157	3.8
99.04436	6.4
99.08077	2.3
101.02370	5.6
103.03922	3.0
103.05459	2.2
105.07011	48.7
105.07723	2.6
107.04941	11.4
107.07833	1.6
107.08567	31.1
109.02844	8.0
109.06490	6.9
109.10143	14.9
111.04440	1.9
111.08088	2.7
115.05466	2.0
117.06986	14.6
118.82848	1.1
119.08550	36.3
120.89326	1.4
121.06489	4.7
121.10126	14.8
123.04402	1.7
123.08054	5.2
123.11693	3.6
125.09634	4.8
127.03883	13.0
129.05463	1.6
129.06949	7.6
131.08537	22.7
131.09459	1.8
133.06453	1.9
133.10101	38.1
135.08041	5.1
135.11644	6.9
137.09584	8.3
143.08540	2.7
145.04932	3.9
145.06395	1.8
145.10094	15.9
147.08020	2.2
147.11655	25.0
149.09596	16.9
149.13242	4.2
151.11159	3.3
155.08528	1.9
157.10115	5.3
159.11684	12.5
161.09579	1.6
161.13199	7.3
163.11121	5.6
163.14847	1.2
165.09114	1.3
169.10136	4.1
169.12329	1.3
171.10251	1.6
171.11690	4.6
173.11829	2.3
173.13245	9.8
175.11119	2.7
177.12701	2.7
179.14302	4.1
183.06535	3.8
183.11684	4.3
185.13269	1.9
187.11172	1.8
187.13310	1.5
187.14784	2.1
189.11201	2.8
191.14352	1.5
193.12288	1.4
195.13853	1.6
197.13228	3.7
201.07582	1.9
201.12642	1.5
205.11984	1.2
209.15344	2.9
211.14796	1.5
219.13803	1.7
227.12886	1.9
229.19530	5.2
239.17932	4.9
247.20508	6.0
257.18991	12.2
275.20007	100.0
276.20425	3.6
293.21109	3.2
302.34229	1.4
349.23691	37.0
349.27957	1.9
350.23825	1.8
377.23273	2.8
391.24716	2.3
475.26669	1.8
493.27823	2.0
507.42361	1.4
511.28900	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	511.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76252	1.0
59.14362	1.1
69.03423	1.5
70.40189	1.0
71.18367	1.1
71.23235	3.4
82.99853	2.0
85.02901	2.0
90.48480	1.1
94.91371	1.1
97.02872	3.5
101.00858	16.9
109.02882	1.4
113.00845	3.9
115.02417	2.0
119.01902	61.6
120.01998	1.6
126.98811	1.2
127.02422	2.3
131.01877	26.7
133.03413	6.7
137.02925	7.8
142.03413	1.3
143.01875	24.6
144.99834	2.3
145.03441	17.1
147.01355	2.9
147.04938	1.3
149.02927	7.1
155.01878	24.0
155.03046	2.3
157.03450	13.4
161.02930	29.5
163.04584	2.1
167.01813	9.0
168.99771	11.6
169.03444	2.6
171.05009	4.8
173.01485	2.6
173.02940	38.2
175.04506	3.9
177.02415	1.6
179.01814	2.6
179.80734	1.1
180.49942	1.2
180.99756	2.5
181.03502	1.3
184.04501	2.0
185.02934	49.3
187.00847	17.4
187.04501	6.2
191.00452	1.7
191.03932	5.8
196.99275	9.4
197.02919	15.3
198.98790	1.6
199.00835	6.8
199.02419	1.2
199.04530	1.4
201.02428	3.3
203.03996	18.3
205.01920	1.4
209.02930	1.3
213.02365	1.8
215.00339	37.3
215.03896	11.0
216.00729	2.3
219.03438	5.5
221.04968	10.2
223.00914	1.8
227.00380	1.5
227.03966	8.7
229.01965	9.2
231.03461	3.8
233.05104	1.6
238.01877	1.7
241.01918	3.2
245.05042	100.0
246.05258	3.4
247.02948	28.6
247.05342	2.1
257.01477	1.5
257.05011	5.7
259.02954	13.7
261.04617	1.6
263.06122	11.8
271.02972	10.3
274.44928	1.1
275.03198	2.3
275.06052	17.1
277.04160	5.8
281.53506	1.7
282.03598	1.1
289.04092	12.7
293.07123	5.2
299.02448	12.7
299.05542	1.8
301.50262	1.2
303.05539	1.8
305.07047	9.3
313.03729	1.4
317.03421	2.8
317.06976	1.4
331.01059	1.5
331.05051	33.4
335.08072	3.4
349.06110	35.1
350.06265	1.3
365.09213	5.3
511.10968	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	510.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	6.8
57.07066	35.0
60.08163	4.4
61.02922	4.3
67.05476	12.8
68.46013	2.9
69.07054	8.6
71.08620	33.4
75.04478	2.5
79.05482	2.9
81.07027	20.9
83.08611	10.2
85.10165	14.2
86.09688	8.2
91.05485	2.8
95.08583	23.3
97.10130	4.2
98.20695	8.5
104.10732	12.0
109.10126	11.7
123.11690	3.5
125.00079	3.1
127.03854	3.0
132.14543	2.6
148.40689	2.7
150.55916	2.3
184.07318	13.8
204.63762	2.4
210.78027	2.4
239.23651	31.6
257.24905	3.8
313.27322	100.0
331.28345	8.8
414.60672	3.0
510.36136	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	511.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	9.9
56.96558	100.0
65.03899	5.7
70.98103	15.5
71.68798	9.7
71.69183	6.8
72.94404	4.9
74.31340	6.0
78.63188	5.3
84.96036	12.2
85.02906	7.0
85.77377	6.2
88.99143	9.3
97.02895	9.7
98.97579	68.4
101.00861	11.2
110.97549	9.6
116.98618	43.3
119.01915	45.4
124.95488	16.5
128.98605	19.1
131.00148	8.5
131.01906	15.2
133.03383	13.7
134.99628	25.1
136.06183	14.8
137.02885	10.6
142.96521	22.1
143.01886	27.6
143.84172	7.1
145.01646	6.2
145.03432	11.6
146.99655	25.7
155.01888	16.4
156.98073	10.0
157.03459	10.4
158.99635	16.1
160.97586	12.5
161.02942	34.2
162.99167	8.9
163.02812	7.4
165.00714	18.0
167.01941	7.0
168.99837	9.8
170.96033	13.5
170.99594	7.3
173.02960	29.7
173.06616	6.2
174.99130	34.6
177.00752	13.4
179.01802	7.3
184.97530	14.7
185.02895	43.1
185.06474	7.1
186.99193	9.7
187.00801	14.8
188.97049	55.6
189.00748	22.2
190.98579	22.0
191.02312	11.3
193.00201	47.4
197.02893	11.5
199.00943	11.5
202.98621	31.0
203.03955	12.5
205.00186	22.1
206.98123	27.9
207.01764	17.6
214.98499	12.2
215.00330	27.1
215.04076	15.5
215.07542	10.5
217.00175	20.4
218.98418	7.3
219.01740	17.6
220.99632	23.1
221.05064	11.8
230.98079	27.7
232.99644	23.9
235.01205	12.7
237.02821	14.1
239.00850	7.0
244.99634	23.5
245.05058	76.2
247.03035	24.5
248.99133	51.3
260.99188	18.9
263.00745	46.9
263.06177	16.0
267.00110	16.3
271.02884	11.0
272.99142	8.5
275.00735	15.9
275.06064	15.9
276.02234	7.4
281.01935	14.3
282.02362	7.7
288.98828	29.5
291.00174	7.0
293.01743	13.4
296.59827	6.6
298.96765	7.6
299.02777	10.7
303.00195	14.0
305.01843	15.0
305.05286	18.0
305.10773	25.4
316.98260	9.1
321.01184	18.9
323.06607	11.0
330.99695	32.7
331.05032	23.2
333.01337	14.1
349.00830	32.7
349.06137	21.5
358.99500	6.8
361.00708	10.7
370.51892	6.8
391.01926	54.4
400.00562	6.8
409.02750	22.0
437.02609	40.9
451.04187	12.7
455.03406	14.8
469.04825	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	510.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01863	1.9
60.04517	2.2
64.05124	0.7
65.03919	2.4
69.03409	1.6
70.06547	1.0
70.88561	2.0
70.88923	1.4
70.94222	0.9
75.04470	3.9
78.03411	1.4
78.04671	1.7
79.05496	1.7
85.02902	3.9
86.09705	1.1
89.06033	1.0
91.05470	20.0
93.03400	10.6
93.07045	4.5
95.04952	2.7
97.06505	2.4
98.51295	0.9
103.05433	5.0
105.07024	1.0
106.02912	2.3
106.04151	24.4
107.04937	1.3
117.03478	0.9
119.04899	3.9
121.02804	0.9
121.06483	26.9
123.04367	1.6
124.03941	4.1
125.05965	7.1
134.03601	3.2
135.04324	1.1
137.05946	6.4
138.06763	1.0
139.07515	1.7
147.04402	4.0
148.05139	2.2
149.00563	1.4
149.05968	40.9
151.07494	3.0
153.01814	1.8
153.09082	10.0
161.05968	1.1
163.07533	2.0
165.05351	0.9
167.07031	1.0
168.99521	2.7
177.05435	20.2
179.07056	2.0
181.08580	18.1
193.03136	7.0
209.08064	100.0
210.08434	1.9
263.01862	1.3
270.08365	1.0
273.03854	8.6
277.01947	0.8
282.08234	0.9
287.01627	1.0
295.06161	1.0
297.04028	2.1
299.01874	2.3
299.05472	2.8
310.04755	1.1
311.05325	1.2
327.04889	2.8
330.26300	1.2
339.04987	15.8
339.12012	1.7
340.05405	1.2
348.08881	1.1
348.27420	2.2
351.05042	1.6
369.06097	1.6
372.11499	1.1
387.07083	1.5
390.12732	1.6
492.15277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30439	0.6
53.03929	1.7
55.01848	2.2
65.03914	2.8
67.05482	1.0
69.42545	4.8
69.42957	1.3
70.06606	0.8
71.47831	0.6
75.04462	3.8
77.03915	0.6
78.04675	2.0
79.05460	1.9
81.03390	0.7
81.07027	0.7
85.02895	2.9
86.09679	1.0
89.03911	0.7
89.06013	1.6
91.05467	12.9
92.54189	0.6
93.03400	10.9
93.07038	5.1
95.04953	4.4
96.03788	0.7
97.06509	2.8
103.05457	5.8
105.06989	0.8
106.04155	27.8
107.04921	1.8
109.06467	2.0
110.07201	0.7
111.04445	1.0
119.04933	4.1
120.08141	0.6
121.06484	25.5
122.03671	0.8
122.07250	0.7
125.05965	7.5
131.04860	1.3
134.03632	4.3
135.04422	0.8
137.05946	7.0
138.06680	0.8
139.07491	2.8
145.02858	1.2
147.04391	4.0
148.05185	3.0
149.05952	39.4
151.03874	0.8
151.07491	3.0
152.08260	0.8
153.05452	1.5
153.09082	11.6
163.07549	1.6
166.06184	1.3
177.03955	1.3
177.05441	21.6
179.06987	2.6
180.07759	0.6
181.08560	18.1
191.07030	1.6
193.03148	6.6
209.08055	100.0
210.08377	1.2
282.07922	0.8
313.91815	0.6
342.10254	0.8
396.11420	0.8
403.86261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01850	5.3
65.03925	5.9
69.03392	2.4
69.41319	1.8
69.92675	4.7
69.93083	9.4
70.06567	2.9
75.04438	2.7
77.98737	2.3
78.04700	2.9
79.05464	3.2
91.04926	3.1
91.05466	50.9
93.03374	9.4
93.07021	7.6
95.04939	9.4
97.06485	2.2
98.21443	2.1
101.64722	2.0
103.05453	12.5
105.03355	8.0
105.07008	8.5
106.04137	27.2
107.04917	9.1
109.06477	8.3
115.05427	2.8
118.04174	2.8
119.04927	38.6
120.05418	1.8
121.02822	2.5
121.06481	30.6
123.04377	4.0
123.08035	5.4
125.05951	9.2
129.07010	2.3
131.04878	15.4
132.05672	4.4
133.06442	6.7
134.03603	5.5
135.04440	2.3
137.02328	2.3
137.05965	10.6
137.76567	2.0
147.04372	11.5
147.08031	3.7
147.52168	2.6
148.05121	5.1
149.05951	52.6
150.58871	2.6
151.07503	21.7
153.05269	2.6
153.09131	9.9
157.06459	2.3
159.08012	7.9
159.70648	2.1
160.05139	2.6
161.05960	38.2
162.06750	7.6
163.07495	7.3
165.05450	4.6
167.07019	55.0
173.06044	2.4
175.07524	18.1
177.05435	31.5
179.07008	22.0
180.07770	6.1
181.08574	24.4
184.04890	1.9
187.07509	15.9
190.06184	5.4
191.07027	25.0
192.07866	9.9
193.08603	2.3
199.07443	2.3
205.08568	48.5
209.08055	100.0
210.08473	2.4
217.08615	5.8
223.04137	10.5
235.09601	10.4
276.35150	2.1
309.11194	2.7
339.12167	7.3
341.13690	5.4
353.13986	3.3
371.15012	4.6
454.05664	2.6
510.16138	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	510.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01853	5.8
55.05506	4.1
57.03423	9.5
61.02914	5.1
63.47843	2.6
67.05483	12.2
69.03413	17.6
69.07037	4.3
69.71867	21.1
71.04967	4.7
72.66968	2.7
73.02900	6.1
79.05472	7.3
81.03388	19.7
81.07049	15.1
83.08599	4.2
85.02881	42.8
87.00810	14.7
91.05466	100.0
93.07021	9.5
95.08590	4.8
97.02861	31.8
97.06516	4.5
99.04424	6.2
105.01846	11.4
105.07003	4.5
107.04927	4.0
107.08556	4.4
109.02843	15.9
109.06512	4.2
109.10172	3.0
117.06976	2.9
119.08588	2.8
121.10086	2.8
125.09538	3.4
127.03893	46.3
128.55602	2.4
131.08534	3.6
133.10094	3.8
145.04939	27.3
159.02852	8.8
175.38602	2.7
209.91574	2.6
210.26242	2.7
214.32642	2.6
231.04979	4.6
245.08064	3.8
275.20062	8.5
381.24271	2.5
421.40021	3.2
446.89746	2.8
522.57538	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01855	1.5
55.05503	1.5
57.03420	1.3
61.02907	1.0
65.03919	2.1
65.37064	0.4
67.05490	1.4
69.03423	5.4
69.07038	0.9
69.97318	3.0
70.06586	0.7
71.04967	1.3
73.02899	1.4
79.05471	1.1
81.03403	4.8
81.07039	1.6
83.04919	0.6
83.08636	0.7
85.02888	12.9
87.00822	4.0
91.05463	100.0
92.05787	1.5
93.07033	1.3
95.04960	0.8
95.08610	0.8
97.02866	6.9
99.04447	2.1
100.11241	1.9
104.10787	0.5
105.01852	4.9
105.07009	1.4
107.08582	0.9
109.02845	4.5
109.06567	0.6
109.10160	0.7
115.03853	0.7
117.06969	0.6
119.08536	0.7
121.10136	0.7
127.03902	10.4
129.07010	0.5
133.10086	1.2
139.28577	0.5
145.04924	5.7
145.10124	0.7
159.02856	3.3
159.11664	0.5
167.03368	3.8
167.62262	0.6
182.15523	0.5
183.15727	0.5
195.06517	0.6
210.14876	0.5
217.08817	0.5
227.07072	1.1
231.04980	1.6
240.31744	0.5
245.03816	0.4
245.08112	1.4
249.75996	0.4
309.21677	0.6
482.36810	0.5
509.40582	0.9
510.40387	0.7
525.23181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
53.51150	2.0
54.36353	1.8
55.01858	7.4
55.05499	27.2
57.03417	17.5
65.03921	4.3
67.05492	60.4
69.03412	37.6
69.07053	17.4
71.01366	3.0
71.04975	16.3
71.70419	2.9
71.70860	3.1
79.05473	38.7
81.03399	100.0
81.03881	4.8
81.07041	54.9
82.99615	1.9
83.04964	18.9
83.08605	9.7
85.02887	18.9
85.06528	6.9
91.05460	51.3
93.07026	43.1
93.07585	3.2
95.04955	15.6
95.08585	24.7
97.02880	27.9
97.06517	9.3
97.10152	5.5
99.04450	17.6
103.03925	3.5
105.07008	52.3
105.07710	2.6
107.04958	10.4
107.08576	37.0
109.02848	13.6
109.06496	9.3
109.10131	39.4
111.04422	6.1
111.08054	4.1
113.02336	3.2
115.05422	3.2
117.06965	9.9
119.08537	10.1
121.06491	5.0
121.10132	8.7
123.04356	2.7
123.08049	6.1
123.11667	10.2
125.09614	7.4
127.03886	18.3
127.07547	3.7
129.05487	4.9
129.06990	6.2
131.04893	3.0
131.08542	9.7
133.06453	5.0
133.10100	77.1
135.08040	6.8
135.11668	4.7
137.05969	2.3
139.03839	2.6
142.07732	2.3
143.08577	3.5
145.04889	2.7
145.06416	2.9
145.10124	8.1
147.08009	4.3
147.11656	3.5
148.30298	2.5
149.09595	7.6
149.13211	2.8
151.11142	55.2
157.10042	3.7
159.11722	5.6
161.09552	5.0
163.11198	6.6
169.12253	15.6
171.11697	3.2
173.04428	95.9
173.05948	4.6
173.09570	2.7
173.13336	3.1
175.11134	2.9
179.10593	4.5
183.06523	2.6
191.10635	2.6
203.10669	3.5
215.10991	2.5
215.12729	11.7
217.14221	2.8
223.13321	3.0
227.12697	3.8
253.14313	26.0
263.19894	3.0
271.15381	5.9
273.18506	6.7
275.20096	4.9
278.88092	2.5
291.19547	8.0
337.23459	2.4
365.23090	6.8
373.23260	3.0
397.18506	4.7
399.21738	3.3
417.22458	5.0
509.27191	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	509.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.9
55.01871	17.1
55.05505	73.5
57.03431	32.3
59.04988	4.4
65.03932	3.8
67.05495	59.6
69.03421	95.6
69.07065	24.5
69.42513	11.6
69.42945	18.6
71.01344	6.2
71.04982	23.5
73.02899	4.9
77.51156	2.8
79.05485	70.3
81.03409	100.0
81.06600	4.8
81.07045	54.3
83.04966	13.4
83.08607	40.6
85.02898	34.3
85.06556	6.0
91.05467	54.7
93.07034	43.4
95.04956	25.6
95.08600	28.0
97.02886	38.7
97.06512	8.6
97.10159	62.6
99.04445	23.1
101.02346	8.4
103.03941	8.2
105.07012	40.0
107.04932	23.9
107.08582	44.2
108.16634	3.0
109.02858	26.7
109.06517	14.9
109.10156	19.1
111.04413	9.0
111.08049	8.9
113.05978	3.7
115.05392	3.8
117.07016	28.9
119.04914	4.3
119.08556	46.6
121.06506	14.1
121.10127	21.5
123.04404	3.5
123.08083	17.6
123.11643	3.5
125.09617	67.5
127.03901	52.8
129.05438	3.6
129.06985	11.3
130.25471	2.6
131.04973	3.4
131.08562	28.1
133.06458	10.1
133.10117	18.6
134.64383	2.6
135.08000	19.5
135.11653	3.5
136.86826	2.8
137.05942	4.7
137.09581	8.7
141.06981	3.4
143.08527	13.9
143.10593	4.1
145.04968	5.4
145.06456	8.3
145.10095	26.0
147.08054	20.8
147.11670	10.6
149.09595	6.8
153.09079	9.9
157.10117	11.8
159.08037	7.2
159.11691	7.7
161.09615	11.5
163.11185	5.0
165.09143	5.9
166.51669	3.4
168.09384	3.5
169.10138	7.5
171.07967	5.2
171.10205	4.0
171.11665	4.9
173.04439	55.9
173.09529	4.5
173.11835	3.6
175.11147	6.3
181.10193	3.6
183.06610	5.8
183.11705	5.7
185.09541	3.6
185.13194	3.4
187.11183	3.9
189.11206	77.6
189.12859	5.6
193.12213	3.7
195.11568	3.0
199.11195	3.8
201.07559	4.3
201.12799	3.3
218.00972	2.6
219.13766	9.0
221.15422	4.4
223.13275	7.5
227.12674	15.0
227.17726	3.5
229.12157	5.1
233.15317	6.0
245.13878	3.3
245.19061	5.5
247.13344	4.0
255.17453	8.2
263.20093	5.9
273.18451	63.8
275.19952	5.1
277.79858	2.9
289.18079	4.8
291.19507	81.2
315.19495	4.3
347.22232	20.1
365.23175	12.2
371.16974	4.1
371.21686	3.9
381.20786	3.9
389.22818	3.4
393.22443	8.6
399.21606	4.2
417.22748	5.4
435.23752	6.8
473.24988	3.4
491.26559	6.2
509.27377	79.3
510.27322	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	509.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.0
54.68385	2.8
55.01866	18.7
55.05504	75.3
56.30733	2.9
57.03432	46.1
58.68851	3.1
59.04977	5.3
61.02906	7.4
65.03913	3.5
67.05495	74.5
69.03416	74.7
69.07054	24.5
69.43536	26.6
69.43941	8.2
71.01328	5.4
71.04975	25.6
73.02908	5.0
79.05480	90.6
81.03404	100.0
81.07041	64.1
83.04987	16.3
83.08609	39.9
84.46013	3.3
85.02883	37.6
85.06550	5.8
87.04443	4.3
91.03932	3.5
91.05466	59.2
93.07030	44.1
95.04945	28.9
95.08586	30.8
97.02883	36.6
97.06516	14.8
97.10152	56.3
98.20647	4.7
99.04442	22.2
99.08041	5.4
101.02361	7.5
103.03905	7.0
103.05415	3.4
105.04594	3.2
105.07018	52.2
107.04934	28.8
107.08576	45.4
109.02847	26.6
109.06470	20.4
109.10117	25.2
111.04420	10.4
111.08061	5.7
115.05403	4.6
116.06181	4.2
117.07004	29.1
119.04926	3.7
119.08565	54.5
121.06511	14.3
121.10132	19.8
123.08029	18.7
125.09606	55.1
127.03895	46.2
128.06200	6.8
129.05484	6.8
129.06992	12.8
131.08540	33.3
133.06502	10.2
133.10112	17.9
135.08029	20.2
135.11682	9.2
137.05942	5.6
137.09599	8.9
141.06993	4.3
143.08514	16.0
145.06471	9.9
145.10115	28.5
147.07991	25.2
147.11647	11.1
149.09605	10.0
151.07541	3.9
153.09064	9.4
157.10114	14.9
159.08028	10.4
159.11679	7.8
161.09630	10.0
163.11157	12.8
165.09074	8.1
169.10066	7.3
171.11696	8.7
173.04442	29.0
173.09557	6.2
173.13255	6.0
175.11182	10.3
177.09026	3.5
181.10138	3.7
181.12169	4.1
183.06512	4.9
183.11787	4.1
185.13193	3.8
189.11209	65.3
189.12845	6.2
191.10672	5.0
193.12177	5.2
201.07541	4.0
201.12740	5.4
205.12167	3.5
215.09123	3.5
217.15829	4.9
219.13806	4.7
223.13203	6.4
227.12671	23.0
229.12187	5.3
233.15318	9.7
245.06111	4.2
245.13786	5.5
245.19002	4.2
255.17775	3.5
263.20215	7.1
269.13968	3.8
273.18439	51.2
275.19992	4.4
289.05264	26.8
289.17816	4.5
291.19467	75.0
347.22269	17.2
365.23175	9.1
417.22507	4.0
435.23788	7.6
455.24069	4.1
466.37778	4.0
491.26236	7.0
509.27585	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05488	2.5
57.03422	0.8
67.05488	3.7
69.03397	0.8
69.07044	1.9
70.28976	3.5
79.05479	5.1
81.03390	2.1
81.07044	5.9
83.04957	1.2
83.08591	1.5
85.02881	1.5
87.04433	0.8
91.05482	5.0
91.61868	0.7
93.07033	6.4
94.34209	0.7
95.04945	2.1
95.08592	2.8
97.02854	0.9
98.11888	0.6
98.20783	0.9
101.00848	0.8
105.07027	3.8
107.04977	0.8
107.08585	3.3
109.06495	1.3
109.10122	0.7
117.06963	1.3
119.01859	1.6
119.08549	2.1
121.10128	1.2
127.76796	0.7
129.06995	1.0
131.08527	2.3
133.10086	2.4
135.11658	1.0
137.09560	0.9
143.08566	0.9
145.10043	2.1
157.10120	1.0
161.02956	1.6
161.09589	0.8
163.11172	0.8
167.03203	0.8
183.06842	0.7
187.00917	1.0
203.05246	2.1
209.11694	0.8
219.36310	0.7
227.12700	1.3
243.04710	2.7
245.06256	8.4
271.04092	1.1
273.18338	1.1
287.00620	1.2
287.03683	18.8
289.05246	100.0
290.05728	1.6
326.34250	0.7
347.21875	1.0
423.23761	0.7
447.23376	0.8
465.24524	11.0
491.22116	5.8
509.23428	73.9
510.24319	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	509.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05494	1.5
57.03418	1.0
59.04992	1.6
61.02914	2.4
62.48299	0.8
68.99788	4.1
69.03410	1.7
69.40122	2.7
69.40535	6.4
70.06582	1.4
72.08139	9.0
81.03395	1.6
84.04480	1.3
84.08134	1.4
85.02889	11.8
86.09689	4.0
87.00806	3.3
91.05463	2.6
97.02846	1.6
103.03948	2.7
104.07065	1.3
105.03413	1.5
107.01302	1.1
109.02867	2.8
119.04952	1.5
120.08089	3.8
125.67119	0.8
129.01813	2.5
136.07552	12.2
137.05954	1.1
147.02902	1.4
153.01826	3.3
155.04924	1.9
161.06007	0.9
171.04356	1.2
175.03703	1.1
183.04424	1.4
187.03850	1.1
189.04039	1.0
193.06523	1.1
195.02888	1.4
197.05983	1.6
199.03812	1.4
201.05496	2.1
211.03860	7.6
215.03433	1.1
217.04936	1.0
219.02867	3.7
221.05911	4.2
225.05418	5.6
229.04881	6.7
235.14281	4.2
239.03340	1.7
239.06934	1.3
243.02969	1.5
243.06401	1.2
245.04492	4.2
247.12878	1.7
249.05402	2.3
253.04915	4.3
253.08650	1.0
257.04419	43.7
258.04498	1.1
260.03052	6.2
261.03885	7.9
263.01913	4.1
263.13995	1.2
267.02969	2.5
267.06531	3.2
269.04361	3.4
269.08167	2.5
271.02698	1.3
271.05975	14.5
273.03894	75.4
274.04614	5.9
275.05307	1.3
277.04932	3.0
279.10153	1.1
281.04465	4.2
281.07727	0.9
284.03143	1.1
285.03922	37.8
285.07465	5.0
287.01917	3.1
287.05530	2.6
295.06033	11.0
295.09348	1.7
297.03998	6.4
298.04733	4.5
299.01840	3.6
299.05414	32.4
299.08771	1.9
300.05637	1.0
301.03415	2.1
303.04944	100.0
304.05310	2.0
305.04437	2.0
309.03903	1.6
311.05759	1.3
311.09201	1.0
313.03415	1.9
313.07034	16.9
313.10477	1.7
323.05438	14.7
323.08978	1.4
325.03290	1.3
325.06998	1.2
325.10629	1.2
327.04938	47.9
329.06543	1.2
333.03937	1.1
339.05182	4.8
341.06458	3.5
341.10263	3.7
343.11746	2.2
351.04935	22.4
357.05856	2.8
369.05991	65.6
370.06412	2.1
371.11340	4.5
387.06998	5.8
389.12473	4.4
395.11612	2.1
405.08270	2.2
411.07007	1.8
425.12234	1.1
437.12378	1.2
443.13330	1.7
455.06006	2.2
455.13062	1.5
473.07190	18.6
473.14127	2.7
491.07922	5.5
491.15408	2.6
509.15353	2.2
509.21796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1651
Annotation	Odontoside
Peak:m/z	Relative Intensity
51.65583	1.3
54.67719	1.5
55.01871	2.8
57.03424	2.5
59.33040	1.3
61.02950	2.9
67.05489	1.8
70.06572	2.6
71.65628	3.0
73.02908	2.4
79.83151	1.5
81.03382	1.9
85.02900	7.6
86.09658	1.7
91.05455	4.1
95.04949	2.2
97.02917	2.6
103.03947	4.9
105.03332	1.9
106.04162	3.1
107.08587	1.9
109.02872	1.8
120.08089	2.5
121.02830	3.0
121.06487	3.6
137.05945	2.3
139.03871	2.2
149.05962	5.0
151.04015	1.5
165.01791	7.6
167.03426	1.8
175.07491	2.7
177.05487	2.0
181.08638	1.7
183.02885	3.4
191.03333	1.7
195.02888	8.4
201.05396	1.9
205.04962	5.5
209.08003	7.7
212.55338	1.5
217.04823	2.9
219.06416	1.7
225.05421	3.6
227.06992	1.7
229.05016	4.3
241.04924	7.3
242.05716	1.7
243.02814	1.5
243.06477	4.6
247.06029	4.2
253.04938	5.4
253.08537	11.8
254.05647	2.2
255.06470	6.2
256.07401	2.1
257.04459	3.1
257.08041	1.9
259.05969	4.7
265.08597	2.9
266.05713	1.9
267.06479	5.4
267.10083	1.8
269.08054	35.5
270.08789	2.2
271.05914	8.5
273.04263	1.8
273.07541	5.8
279.10049	3.3
280.07272	2.5
281.08057	12.0
281.11020	2.0
283.05960	4.3
283.09531	5.8
285.07764	3.0
285.10892	2.2
291.09964	3.4
295.06387	2.7
295.09567	15.9
297.07571	4.4
297.11050	2.8
299.05731	3.0
299.09061	35.4
301.10693	2.6
305.08102	1.8
307.06323	1.8
307.09656	5.6
309.07544	3.7
309.11166	8.2
311.09164	3.5
313.10645	37.2
315.08466	2.9
319.09711	2.8
321.11130	2.8
323.05627	2.1
323.08984	7.2
323.12482	1.8
325.10596	18.4
325.14145	1.8
327.08713	3.6
329.09848	2.6
335.09094	3.4
335.12708	2.5
337.10745	4.3
339.04944	3.4
339.08707	3.5
339.12021	7.0
341.10168	41.8
343.11722	41.1
347.09116	2.9
349.10861	1.9
353.10196	7.0
353.13818	6.9
359.11200	32.3
363.12482	1.8
365.10208	5.8
367.11710	12.1
371.11206	55.8
372.11575	2.9
379.11713	4.2
381.13425	4.4
389.12262	100.0
390.12662	1.6
391.11746	8.3
395.11169	20.3
407.11176	4.6
409.12946	7.4
413.12207	35.7
413.17313	2.7
419.11017	4.3
425.12256	14.1
427.13791	1.7
437.12347	14.1
443.13300	33.9
455.13449	25.5
473.14377	44.3
491.15390	60.4
509.16498	35.8
510.16611	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	508.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09313	0.3
55.05493	3.2
55.97369	0.4
56.05024	2.6
57.07056	1.5
60.08154	17.0
67.05486	1.2
69.07056	3.3
70.06457	1.6
71.07361	12.3
71.08613	1.1
74.94366	0.4
77.02459	0.4
79.05485	0.4
81.07036	0.8
83.08597	1.8
86.09690	71.2
87.10037	0.4
93.07037	0.6
95.08585	0.9
97.10173	1.1
98.20774	0.5
98.98454	8.6
104.10724	8.2
104.11439	0.5
109.10143	0.4
111.11707	0.6
119.08559	0.4
124.99980	56.9
143.01031	0.9
166.02620	0.8
184.07310	32.1
238.78743	0.4
385.43491	0.4
490.40280	4.2
508.41193	100.0
509.41547	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	507.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01762	1.2
53.03931	1.5
55.05502	12.0
57.03415	2.1
57.07067	26.7
57.08453	1.2
65.03932	2.0
67.05135	2.6
67.05494	45.4
69.07058	15.2
71.04978	3.3
71.08620	19.8
77.34591	1.1
79.05480	18.6
81.03386	1.6
81.07045	48.4
83.04962	2.8
83.08613	17.1
85.06528	2.5
85.10168	8.2
86.09687	1.5
86.37484	1.2
88.25114	1.3
91.05466	13.7
93.07030	23.6
93.07590	1.9
95.04965	4.8
95.08588	27.6
97.06516	2.9
97.10171	3.5
99.08079	1.4
105.07021	5.9
107.08575	14.5
109.06467	1.3
109.10146	12.7
111.08058	2.9
117.07010	4.4
119.08570	4.1
121.10126	6.8
123.11687	7.1
124.47755	1.2
131.08539	5.7
133.10117	8.3
135.08041	1.2
135.11710	6.0
147.11691	2.0
149.13225	13.0
149.14110	1.2
152.84834	1.1
159.11703	5.9
167.14308	1.4
177.12808	3.1
195.13745	7.8
213.14815	1.2
229.14395	1.9
229.97302	1.8
239.23672	6.5
326.11404	1.3
329.92554	1.2
489.35715	4.6
507.27249	100.0
507.40384	67.4
508.27557	17.5
508.40704	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	507.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01854	2.4
55.05507	23.8
55.57157	1.5
56.44385	1.3
57.03431	3.5
57.07067	36.9
65.03930	3.5
67.05494	76.9
69.03423	1.7
69.07063	20.6
69.83189	3.2
69.83604	7.1
71.04991	2.9
71.08621	25.8
72.62311	1.5
79.05481	29.7
81.03429	1.8
81.07042	89.8
83.04953	4.0
83.08611	24.5
85.06525	3.7
85.10181	15.9
86.09705	4.9
87.10044	1.7
91.05460	23.5
93.07032	38.7
95.04971	4.3
95.08591	45.6
97.06512	8.0
97.10152	10.4
99.08106	4.0
105.06997	9.7
107.08583	25.8
109.06510	2.9
109.10148	31.5
111.08096	4.8
111.11710	2.5
117.07026	5.7
119.08594	4.4
121.10130	9.2
123.08105	1.9
123.11684	11.2
124.99999	2.5
125.09652	4.1
125.13290	1.6
129.07011	1.9
131.08568	7.6
133.10118	12.1
135.11638	9.9
137.13229	3.4
138.13824	1.5
145.10114	2.7
147.11670	3.2
149.13229	22.2
159.11673	11.5
161.13231	1.5
165.16458	1.6
173.11768	3.7
173.13199	2.2
177.12762	3.2
189.11133	2.0
195.13756	11.7
211.03694	1.9
213.14793	2.1
227.12816	2.5
229.14409	9.3
239.23730	9.3
261.22174	6.0
291.00397	1.7
317.24814	2.2
335.25900	4.8
345.41797	1.7
397.31006	4.0
415.31714	1.8
489.35529	9.8
507.04462	1.5
507.40540	100.0
508.40912	5.6
517.40332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.60521	1.3
55.05504	18.4
57.03415	3.3
57.07067	48.7
62.09359	1.4
62.66724	1.4
65.03928	1.7
67.05138	2.9
67.05495	57.4
69.07061	23.9
69.95687	4.7
69.96100	3.4
71.04976	2.2
71.08620	35.5
71.09011	2.1
71.20808	1.3
71.48091	1.6
77.16759	1.4
79.05477	25.5
81.07047	78.3
83.04972	4.0
83.08605	28.2
85.06528	4.4
85.10169	15.4
86.41520	1.4
91.05466	17.5
93.07031	39.1
95.04969	6.3
95.08593	38.6
97.06512	4.5
97.10168	8.4
98.21448	1.9
99.08092	3.2
105.07026	4.8
107.08576	23.5
109.06527	2.5
109.10133	15.1
111.08085	5.5
113.97588	1.7
117.06999	5.2
119.08541	2.0
121.06474	1.9
121.10133	11.2
123.11708	8.6
131.08571	5.5
133.10115	11.3
135.11685	7.7
137.13245	2.4
141.96378	1.5
147.11684	1.9
149.13237	23.1
159.11636	9.7
164.39531	1.7
177.12743	5.8
195.13792	15.4
213.14949	2.0
231.29199	1.6
239.23631	9.6
243.89977	1.4
256.63971	1.6
284.25754	1.6
359.76657	1.8
507.40414	100.0
508.40683	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	507.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
54.95327	1.5
55.01854	3.5
55.05499	28.0
57.03421	7.4
57.07056	6.6
59.04980	3.6
65.03923	2.4
67.05493	100.0
69.07051	14.6
71.04958	3.6
71.08604	3.6
79.05479	29.0
81.07044	57.1
83.04956	1.6
83.08609	16.3
85.06513	3.9
91.05464	19.0
93.07030	33.0
95.04951	2.8
95.07996	2.9
95.08585	40.5
97.06497	2.0
97.10144	13.6
99.08058	1.8
105.07005	16.8
107.08569	24.7
109.06509	2.0
109.10138	51.9
111.08035	1.9
117.06985	6.8
119.08562	18.4
121.10133	15.2
123.11700	10.0
123.12486	1.4
125.09608	11.0
125.65804	1.6
129.07002	1.8
131.08562	11.8
133.10095	12.5
135.08035	1.8
135.11684	14.0
137.09605	2.7
137.13242	2.2
139.11183	1.9
143.08499	2.1
145.10118	8.2
147.11656	8.2
149.09503	2.0
149.13199	8.6
153.09111	2.5
155.08514	1.7
155.10683	2.2
157.10065	3.4
159.11647	11.2
161.13205	7.3
163.14824	3.7
171.11591	1.5
173.11705	13.4
173.13237	6.6
175.14810	3.8
176.99179	1.5
185.13205	3.7
187.14801	5.2
189.11133	7.4
195.00362	1.8
197.06833	1.7
201.16264	1.7
227.12785	10.0
229.14320	27.3
231.15895	2.3
243.21005	3.6
259.20474	1.9
261.22125	18.6
288.61737	1.5
317.24680	3.0
333.24106	1.5
335.25739	17.9
379.29816	3.4
397.31046	8.2
415.31894	6.0
433.32806	4.9
471.34555	4.6
489.35678	28.7
507.26968	4.7
507.36697	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.50203	2.4
53.03922	3.8
54.27706	2.3
55.01845	2.9
55.05509	24.3
57.03415	6.3
59.04981	2.9
61.96781	2.8
65.03895	2.5
65.68587	2.3
66.79371	2.3
67.05492	100.0
69.07060	18.7
69.90559	16.6
71.04973	3.3
79.05479	30.8
81.07040	64.1
83.04970	3.4
83.08610	24.1
83.88792	2.3
84.63483	2.4
85.06504	4.6
91.05457	22.6
93.07026	37.2
95.08590	47.5
97.06465	2.8
97.10175	17.2
105.07024	17.7
107.08576	25.4
109.10137	58.0
111.08055	5.7
116.15995	2.5
117.06963	6.0
119.08568	20.2
121.10128	16.1
123.11696	9.8
125.09621	12.1
129.06941	3.8
131.08566	14.2
133.10095	13.2
135.07985	3.3
135.11685	16.4
137.09592	4.3
143.08549	6.2
145.10114	14.2
147.11664	9.3
149.13242	7.5
157.10152	3.4
159.11641	11.6
161.13226	6.7
163.14775	5.5
167.14359	2.3
169.29955	2.6
171.11687	5.5
173.11691	19.2
173.13234	7.6
175.14844	2.8
183.11597	2.8
187.14766	3.7
189.11172	8.1
227.12715	9.9
229.14308	26.2
234.69077	2.4
239.00259	3.1
243.21083	6.0
259.20468	5.0
261.22098	22.4
287.01556	2.9
289.21613	2.7
303.23212	2.9
317.24426	3.2
333.24109	3.2
335.25729	23.0
364.59482	2.7
397.30945	9.5
415.31891	7.9
433.33041	8.6
471.34479	4.8
489.35733	42.1
507.36551	36.4
515.55756	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	507.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01862	5.3
55.05503	36.6
57.03427	27.1
57.07065	5.9
57.73092	1.4
61.02908	11.9
67.05492	49.6
69.03416	46.6
69.07056	49.1
71.01325	3.5
71.01743	3.0
71.04979	9.3
71.08596	1.8
73.02912	9.7
75.04471	1.8
79.05485	19.7
81.03410	17.6
81.07042	57.7
83.05001	3.1
83.08607	29.3
85.02888	100.0
85.06526	5.2
87.04458	6.5
91.03931	2.0
91.05459	11.8
93.07020	22.2
93.07576	1.5
93.41915	1.5
95.04958	3.0
95.08582	54.7
97.02874	35.6
97.06500	7.3
97.10158	23.2
99.04411	10.5
99.08070	4.0
101.02341	2.9
101.05959	1.8
103.03938	4.9
105.07005	12.2
107.08572	16.6
109.02853	16.8
109.06448	1.7
109.10142	23.4
111.08047	6.6
111.11725	10.2
112.50050	1.6
113.09616	2.2
115.03859	1.7
116.29652	1.3
117.05451	1.6
119.08557	10.7
121.02836	1.8
121.10124	22.6
123.08038	2.5
123.11691	9.1
125.09613	2.9
125.13266	3.6
127.03885	28.7
129.05444	5.8
131.08578	1.8
133.10114	12.8
135.11658	21.3
137.05991	2.1
137.09608	4.0
137.13223	7.9
139.11185	6.7
145.04927	10.9
147.11647	9.3
149.13248	6.4
151.11136	4.4
151.14838	3.7
152.46887	1.4
153.12744	5.4
153.14478	1.6
155.10660	2.3
159.06538	3.2
161.13252	9.1
162.05666	1.6
165.12711	5.7
175.14839	4.6
179.14267	3.3
183.06490	2.8
189.16321	2.5
193.19547	1.9
201.07526	4.7
217.19469	25.5
221.04396	2.1
235.20547	28.7
253.21576	19.1
291.23145	2.5
309.24213	15.3
317.76108	1.6
327.25223	82.5
345.26279	40.8
369.26437	1.7
379.24841	2.3
435.27219	1.6
453.28613	2.0
471.29547	4.9
499.01904	1.9
507.31540	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	507.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.4
55.01863	34.7
55.05504	41.0
57.03426	19.2
65.03920	7.9
67.05491	77.1
69.03413	14.1
69.07056	31.0
70.14571	9.1
70.14989	20.0
71.04958	5.9
75.42112	4.9
79.05487	74.4
81.03419	16.4
81.06556	5.6
81.07042	98.9
83.01279	4.5
83.04958	15.8
83.08597	17.0
85.02901	7.6
85.06522	6.9
91.05468	82.6
93.07032	65.4
95.04964	23.3
95.08585	51.1
97.02893	6.7
97.06503	13.9
97.10156	13.2
103.05464	5.5
105.07024	68.4
105.75310	4.7
107.04941	26.4
107.08568	35.4
109.06491	9.3
109.10149	18.8
111.07956	5.3
115.05428	13.0
116.06173	6.5
116.84931	5.1
117.06999	28.8
119.04965	10.2
119.08561	34.1
121.02802	8.0
121.06491	13.0
121.10107	22.7
123.04373	9.6
123.08073	7.0
123.11713	11.1
125.02309	7.8
125.05949	7.7
125.09612	5.6
127.03857	7.0
128.06221	19.4
129.06993	29.2
131.04910	9.2
131.08539	40.4
133.06461	24.5
133.10117	35.2
135.04401	9.5
135.08017	17.2
135.11668	10.3
137.05931	5.2
137.09557	6.9
141.06989	16.6
143.08543	26.6
145.06509	23.7
145.10114	36.9
147.04366	13.5
147.08000	18.6
147.11668	25.1
149.05974	11.8
149.09627	17.6
149.13235	7.6
151.03931	7.2
151.07559	5.6
154.07790	6.9
155.08540	19.6
157.06505	10.1
157.10106	21.2
159.08057	26.7
159.11716	17.3
161.05988	11.8
161.09576	18.7
161.13228	6.0
163.03883	8.0
163.07533	7.5
163.11086	10.4
165.05475	7.1
165.06934	9.2
165.12714	7.7
167.08504	9.0
169.04922	6.3
169.10117	17.7
171.08025	18.0
171.11708	14.2
173.06013	19.7
173.09615	24.5
175.07553	13.2
175.11139	5.8
175.23927	4.5
177.05385	9.3
177.09065	6.1
181.10133	9.9
183.11681	12.2
185.05933	10.9
185.09599	18.6
187.03972	8.1
187.07594	17.3
187.11172	10.3
189.05470	14.0
189.09041	11.4
191.07079	10.4
193.05006	8.7
193.10147	5.4
195.06487	5.8
195.11597	7.8
197.05794	5.4
197.09586	16.1
199.03877	11.4
199.07472	11.9
199.11150	9.9
201.05418	8.1
201.09077	16.4
203.07011	17.5
203.10680	5.8
205.08569	8.1
207.06516	8.4
209.09656	9.8
209.11617	4.9
211.07642	6.3
211.11205	6.5
213.09109	15.3
215.07181	9.6
215.10773	7.6
217.08540	18.7
217.12180	5.9
219.06480	7.1
221.09738	6.4
225.09103	12.3
227.06863	9.5
227.10672	13.3
229.08591	11.2
229.12167	6.6
231.10112	5.6
233.08055	7.8
235.06042	7.1
239.10727	6.7
241.08478	12.2
243.10091	13.3
247.09393	5.4
249.07649	9.3
253.08553	10.5
253.12247	5.8
255.10130	13.5
255.17477	5.7
257.11658	5.2
267.89371	5.3
273.18463	8.6
275.81622	5.6
281.11713	7.2
309.18619	5.5
313.18124	6.7
315.19684	8.1
317.13892	6.8
323.20010	7.6
325.17969	7.3
327.19522	11.3
333.18457	7.1
335.19974	5.8
337.17990	8.4
341.17349	18.4
341.21002	5.7
345.13123	10.6
351.19504	20.7
355.19040	10.9
359.18503	13.4
367.19022	25.8
369.20685	27.8
371.22116	6.4
379.19077	28.0
385.19855	6.3
387.21564	20.5
397.20068	64.9
415.21091	100.0
433.22052	38.6
453.21967	6.1
467.26382	5.2
489.24780	19.8
507.25723	67.4
507.40652	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	507.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01634	0.7
53.03931	1.6
55.01842	0.9
55.05498	1.8
55.72543	0.7
56.91703	0.8
57.03430	1.3
60.77854	0.7
61.02911	0.8
65.03905	0.8
67.05495	4.4
69.03408	1.0
69.07039	2.3
70.06599	0.9
71.70281	1.4
78.04684	3.3
79.05487	6.2
81.03401	1.6
81.07050	5.1
83.04940	1.1
83.08596	1.2
85.02899	1.5
86.09694	1.0
91.05458	6.7
93.07030	5.4
95.04942	3.3
95.08590	4.1
97.02884	1.6
97.06509	1.0
103.05444	6.0
105.07016	8.1
106.04179	1.7
107.04929	10.3
107.08553	1.8
108.05715	1.2
109.02859	1.6
109.06483	1.3
109.10163	1.6
111.04448	0.9
115.05427	3.8
117.06998	3.4
119.04929	1.5
119.08542	1.3
121.02843	5.2
121.06482	6.4
121.10104	2.0
123.04414	9.5
123.08038	2.5
123.11652	0.9
124.05159	4.8
125.05996	1.2
129.06953	3.7
130.99959	1.0
131.04893	6.6
131.08501	2.5
133.06447	5.6
133.10098	1.9
135.04387	1.6
135.08034	1.8
135.11632	1.3
137.05978	8.0
137.09433	0.8
139.07538	1.0
141.06967	2.0
143.04929	0.9
143.05974	0.9
143.08519	1.2
144.05682	2.0
145.06454	6.9
145.10074	1.1
147.04398	3.6
147.08064	1.1
147.11633	1.5
149.05963	2.8
151.03893	2.7
151.07504	10.1
152.04623	2.2
153.05396	1.9
156.05667	1.8
157.06450	1.3
158.07263	3.7
159.08043	2.0
161.05937	6.1
163.07523	15.2
165.05467	1.2
165.09088	2.0
166.06158	0.8
167.07014	100.0
168.07664	4.0
169.08109	1.0
172.05173	1.8
173.05928	4.9
173.09579	2.5
175.07553	2.4
177.05441	1.5
177.09010	1.1
179.07045	1.8
181.08563	13.2
186.06688	1.0
187.07538	9.1
189.00578	1.2
189.09044	1.7
192.09225	1.1
193.06967	1.5
193.08583	17.4
193.10100	0.7
201.09070	4.1
202.07790	0.9
203.03334	2.2
203.08530	2.2
205.08513	4.2
207.02838	2.5
217.08560	3.5
219.08208	1.3
219.10121	8.4
221.04395	3.5
225.07817	0.9
231.02951	1.1
231.08032	2.5
233.04391	1.8
233.11681	11.0
237.09158	1.3
245.08054	1.2
248.08388	1.5
251.05516	2.5
257.08099	1.0
259.07416	1.7
263.10626	3.5
273.07571	1.1
275.05518	2.7
275.09009	1.6
285.07422	1.4
291.10126	2.8
292.11014	1.3
295.13272	3.8
297.07489	1.8
299.09238	1.4
323.12708	8.9
327.08643	2.1
339.12143	2.0
348.84570	1.1
351.08508	2.1
355.15396	13.1
369.13300	2.6
381.09552	3.2
387.17969	4.0
393.13358	2.2
405.13654	1.1
405.19006	1.1
411.10571	1.7
429.11899	4.3
447.12756	2.0
453.15485	2.2
471.16156	1.6
507.40692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
54.76070	5.1
55.01851	14.0
55.05495	15.5
57.03425	6.2
65.03930	7.8
67.05491	16.2
69.03425	8.1
69.07038	10.1
69.82521	35.2
70.06585	5.6
79.05471	17.9
81.03410	14.6
81.07048	29.5
82.93739	5.6
83.04958	7.0
83.08594	10.9
85.02865	8.2
89.07533	5.2
91.05480	23.1
93.03387	6.1
93.07027	19.2
95.04955	11.7
95.08592	13.0
97.10146	7.0
98.20782	8.9
105.07030	12.9
107.04929	29.8
107.08560	11.1
109.02858	17.0
109.06502	9.7
109.10114	6.3
111.04430	10.1
111.08077	6.3
111.18182	5.5
117.07003	11.2
119.04968	6.6
119.08575	12.2
121.02044	9.1
121.02849	100.0
121.06502	32.9
123.08042	13.6
129.07005	8.5
131.04919	5.5
131.08551	7.5
133.06480	11.0
133.10095	6.7
135.04337	6.6
135.11684	7.5
137.05945	16.4
143.08565	8.5
145.06404	7.7
147.04420	16.4
147.08015	5.6
149.09560	15.4
151.03986	7.6
151.07562	5.0
159.04396	9.9
161.06017	8.4
163.03906	6.4
167.08502	5.2
172.04094	4.7
173.05971	8.8
175.11105	5.8
177.01767	14.1
177.05446	11.8
183.02951	5.8
187.03860	5.7
189.01785	17.6
191.03345	12.4
191.07004	7.5
195.02876	25.2
195.06506	8.4
201.01706	4.8
201.05566	8.4
203.03339	52.7
205.04926	7.2
207.02878	25.4
207.06520	6.6
209.04398	14.9
209.46909	4.8
215.03334	10.7
217.04932	12.2
219.06511	15.8
221.04408	78.4
225.03883	7.6
225.76234	4.5
229.04919	14.3
231.02863	12.5
231.06494	7.8
233.04427	53.1
233.08020	5.9
235.06003	7.9
237.07614	14.4
243.02872	16.6
243.06476	8.8
245.08063	28.1
247.06020	13.1
249.03889	11.9
249.07562	8.7
251.05449	50.2
257.04410	15.9
257.08063	17.7
259.09561	7.0
261.07693	9.0
263.09082	19.5
269.04483	7.2
271.05865	7.6
271.09650	10.0
273.04010	9.8
273.07520	14.3
273.10995	4.9
275.06000	30.1
275.08820	32.9
281.04459	5.4
285.07568	20.7
293.10095	6.0
297.07513	30.5
299.05768	5.9
299.09006	18.4
303.08588	8.8
307.19116	5.6
309.07562	6.0
311.09106	15.0
313.10599	7.4
315.08585	9.5
317.06558	14.0
317.10144	10.2
325.10760	6.0
327.08591	47.6
335.07495	13.9
339.12155	28.3
341.10248	9.9
351.08502	56.4
351.12244	19.1
359.11154	8.2
367.11682	19.8
369.13477	26.4
375.08487	5.8
379.11606	11.3
381.09705	48.0
387.14249	15.1
390.94543	5.0
393.09402	13.7
393.13721	49.2
401.36887	5.7
405.12955	24.1
409.12753	6.2
411.10730	32.3
415.21036	13.3
417.13541	11.0
423.14246	8.2
427.13925	5.6
429.11789	65.9
435.14310	19.6
445.14734	22.5
447.13007	27.2
452.44489	6.0
453.15387	26.1
471.16324	19.5
507.29532	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	507.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54066	3.6
53.03947	5.1
54.77026	3.9
55.01853	10.0
55.05487	16.8
57.03419	8.6
65.03912	8.2
67.05483	23.9
69.03421	11.0
69.07042	13.8
70.22696	4.2
71.04990	4.4
71.71233	6.0
73.18977	3.8
77.05105	4.3
79.05472	26.6
81.03400	12.1
81.07043	27.2
83.04951	6.3
83.08593	8.3
85.02883	15.9
88.32600	4.6
91.05476	31.0
93.03370	5.0
93.07053	22.1
95.04947	12.1
95.08580	14.6
97.02860	4.6
97.10174	5.7
99.04386	4.1
100.11227	8.8
103.05411	5.1
105.07014	17.8
107.04951	36.5
107.08578	8.4
109.02846	13.1
109.10130	6.9
111.04381	9.0
117.06991	7.9
119.04920	7.9
119.08541	11.8
121.02847	100.0
121.06474	33.8
121.10114	6.7
123.04387	4.8
123.08039	5.2
129.06996	6.0
131.04904	7.3
131.08543	10.2
131.75632	3.8
133.06444	11.9
133.10138	11.0
135.04456	9.1
135.11665	4.6
137.05910	9.6
141.06889	5.5
145.06396	5.1
145.10074	8.2
147.04370	13.2
149.09569	8.1
159.11679	4.5
161.05917	10.2
163.03868	5.4
163.11137	5.5
165.01764	5.7
165.05428	4.6
165.09114	5.2
173.05965	9.1
173.09613	11.5
175.03876	6.4
177.01810	15.2
177.05452	14.9
179.06856	4.6
182.15384	11.5
183.02870	5.1
183.06485	4.8
185.13319	4.6
187.03915	7.9
187.07491	6.0
187.68622	4.6
189.01831	15.5
189.05424	8.1
191.03339	9.9
195.02849	23.7
201.01791	7.6
201.05411	13.9
201.08960	4.9
203.03340	41.6
205.04823	7.9
207.02881	23.6
207.06406	7.3
209.04456	12.5
215.03366	6.4
215.07022	5.1
217.04872	12.2
219.02853	7.2
219.06462	17.3
221.04411	83.1
225.03865	10.0
229.04936	15.6
231.02885	13.1
231.06465	8.1
233.04434	45.3
233.08063	9.9
235.05939	15.5
237.07555	11.3
243.02847	12.6
243.06532	11.1
245.08034	30.8
247.06003	12.9
247.09599	5.2
249.03989	7.3
249.07700	10.0
249.54387	4.4
251.05444	54.1
251.08127	4.8
251.09125	5.4
255.02730	5.1
255.06566	4.4
257.04443	19.1
257.08002	12.4
259.09521	5.5
261.03781	7.0
261.07632	7.0
263.09222	26.2
265.14267	4.6
269.04471	8.6
271.06006	6.7
271.09424	5.1
273.03952	5.8
273.07584	13.2
275.05865	34.4
275.08710	35.4
285.07541	20.8
285.10846	5.7
287.05426	5.3
293.10074	8.9
297.07593	32.5
299.05685	8.4
299.09052	21.9
309.07483	7.3
309.21634	8.7
311.09219	19.6
313.10556	7.8
315.08569	9.3
317.06543	19.6
317.10120	10.1
325.10413	9.6
327.08640	60.1
327.12155	7.9
335.07669	8.8
339.12216	33.3
341.10275	9.3
351.08530	38.7
351.12183	20.9
367.11581	15.5
369.13293	26.9
375.08450	10.5
377.12109	5.7
379.11661	7.5
381.09631	46.2
387.14380	10.3
387.21280	4.2
393.09344	13.2
393.13672	48.3
405.13058	19.4
409.12469	5.2
411.10690	44.2
417.13049	17.9
423.14279	12.7
427.13467	4.7
429.11755	87.6
435.14337	13.3
445.14905	23.4
447.12848	29.8
453.15213	25.3
465.28745	4.6
471.16553	25.4
489.17410	12.1
507.25986	11.4
507.39288	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	507.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81653	0.3
55.01851	0.4
55.05510	0.6
56.66880	0.4
57.03434	0.8
57.07067	50.5
61.02926	0.8
65.03953	0.5
67.05507	1.1
69.03436	2.8
69.07053	1.1
69.63682	2.8
70.06581	0.9
70.12143	0.4
79.05479	1.2
81.03430	0.9
81.07051	1.7
83.08642	0.4
84.08143	0.4
85.02888	2.0
85.06532	10.0
86.09694	5.1
87.10033	0.9
91.05471	1.0
93.07057	1.0
95.08599	1.6
97.02891	0.8
97.06593	0.5
98.20692	0.7
103.03941	1.1
103.05454	0.8
105.03374	0.4
105.07055	1.0
107.01304	0.5
107.04938	0.7
107.08532	0.9
109.02879	0.8
109.10137	0.8
115.05434	0.5
120.08089	4.9
121.02878	1.5
121.06539	0.5
121.08426	1.5
123.04411	0.5
123.11741	0.6
127.03890	2.2
131.04942	0.6
131.08559	0.5
133.06456	0.4
135.04384	0.5
137.05972	1.7
143.11812	0.7
145.04979	0.5
145.06413	0.4
151.07571	0.4
153.01811	0.7
155.04933	1.3
161.05971	0.8
163.07507	0.7
167.06996	2.2
169.08546	1.1
171.11305	0.6
173.06015	0.8
177.95645	0.4
183.04326	1.9
187.03934	0.7
201.05461	1.6
203.03374	0.8
207.02919	0.5
211.03889	6.3
219.02837	1.0
221.04355	1.1
225.05482	1.1
229.04910	5.0
233.16460	1.6
234.16855	1.1
239.03343	1.1
240.04045	0.4
241.04916	0.5
243.02957	0.8
243.06561	0.6
245.04454	0.5
247.11758	6.6
251.03267	0.6
251.05675	0.7
253.04910	1.0
255.06244	0.7
256.03598	1.0
257.04419	43.3
258.04749	1.0
260.03119	1.4
261.03891	4.7
261.16113	0.7
262.16129	0.6
263.01794	0.7
265.05261	0.4
267.02887	3.7
267.05859	0.5
269.04462	1.1
271.06039	3.1
273.03900	21.5
274.04599	1.7
275.05426	0.6
275.09210	0.4
277.04990	0.5
281.04428	1.0
283.06049	0.5
285.03903	100.0
286.04282	1.7
287.01874	0.6
287.05469	1.0
289.03601	0.4
291.26859	0.6
293.04349	0.6
295.06030	0.9
295.09424	0.5
297.03922	4.0
297.07053	0.7
298.04480	0.6
299.05475	7.4
303.04950	33.4
304.05231	0.7
311.05466	0.7
313.07034	0.7
313.10510	0.5
315.04813	0.5
318.17856	0.5
319.18234	0.5
321.03955	1.3
323.05487	0.8
325.03320	0.5
327.04962	11.2
327.08456	0.7
339.04965	3.8
351.04877	2.8
351.08481	0.5
357.05930	1.1
363.04724	0.5
369.06000	7.8
381.09744	0.7
387.06924	1.9
387.10901	13.3
393.13089	0.7
399.06909	0.5
405.08102	2.4
411.11066	0.9
429.11832	0.7
489.13681	1.3
507.14801	3.5
507.24069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01855	2.4
55.05266	1.6
55.05504	16.0
57.03435	9.4
57.07061	2.2
59.04977	3.9
61.02911	1.2
65.03915	2.4
67.05495	100.0
68.05812	1.5
69.03433	1.7
69.07061	10.2
69.69328	4.3
69.69764	5.0
71.04982	6.1
79.05484	28.4
81.07042	33.4
82.07378	1.3
83.08612	9.5
85.02907	1.6
85.06522	4.3
91.05467	41.6
92.05795	1.7
93.07034	30.9
95.04959	4.0
95.08595	21.7
97.02927	1.1
97.06527	2.1
97.10156	3.1
99.08089	1.4
105.07019	39.4
107.08588	18.4
109.06490	2.8
109.10143	63.5
111.08041	4.2
117.07008	10.1
118.07373	1.4
119.08561	32.3
121.10122	11.7
123.08080	1.9
123.11629	2.1
125.09598	2.9
128.06206	1.2
129.06976	7.5
131.08562	11.7
133.06367	1.3
133.10115	25.8
135.08043	1.2
135.11676	11.1
137.09598	2.5
143.08566	6.2
145.10100	13.2
147.10576	1.9
147.11664	25.8
148.12018	1.5
149.13242	6.2
151.11183	1.7
155.10622	3.0
157.10123	6.8
159.11682	10.6
161.13222	20.4
163.11115	1.4
163.14767	1.7
169.10080	1.1
171.11702	7.7
173.11708	16.4
173.13219	7.5
175.14810	8.8
185.13205	7.3
187.14798	3.6
189.11218	1.7
189.12769	1.6
199.14795	3.2
203.14359	1.6
217.19499	1.3
227.12758	5.0
229.14323	39.6
231.21043	5.4
241.19493	20.1
243.21150	1.2
259.20547	49.2
261.22083	2.0
275.20038	2.1
276.20401	1.8
277.21475	3.7
315.23032	3.2
333.24197	23.1
395.29169	1.8
413.30380	1.3
469.32986	1.3
487.34058	10.8
505.34683	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78399	1.1
53.03939	2.1
55.01870	2.3
55.05496	16.5
57.03423	8.8
57.07064	2.3
59.04998	4.3
65.03932	2.6
67.05492	100.0
68.05814	2.2
69.07063	7.7
71.04981	4.9
79.05482	25.0
81.07043	30.0
82.07379	2.8
83.08607	11.5
85.02872	1.2
85.06540	3.6
91.05457	29.8
93.07027	25.5
95.04965	3.9
95.08592	16.6
96.52837	1.1
97.06539	2.1
97.10163	4.6
99.08102	2.5
105.07013	28.5
106.07336	1.3
107.04977	1.5
107.08585	17.7
109.06519	2.4
109.10136	65.2
110.10472	1.9
111.08075	3.8
113.09625	1.2
117.06987	9.0
119.08559	27.4
121.10123	11.8
123.08122	2.7
123.11678	1.3
125.09619	2.7
129.06967	3.5
131.08554	9.5
133.10104	18.9
135.08041	2.7
135.11679	10.1
137.09592	4.7
143.08568	4.3
145.10095	11.0
147.11662	20.4
149.09618	1.4
149.13243	4.7
155.10651	3.9
157.10107	4.2
159.11673	8.4
161.13226	16.4
163.11124	2.8
163.14897	1.9
171.11656	7.7
173.11722	19.6
173.13240	5.6
175.14813	7.9
177.12747	1.3
185.13203	4.1
187.14841	1.9
189.11159	1.4
199.14787	2.8
227.12814	4.7
229.14307	47.2
231.21019	4.8
241.19487	16.9
244.09094	1.2
257.18918	1.5
259.20526	37.3
261.22092	2.3
275.20004	3.4
276.20493	2.0
277.21124	2.8
315.23221	3.4
333.24188	20.7
395.29233	2.0
413.30475	2.1
487.34171	7.8
505.34772	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01847	1.5
55.05503	14.7
57.03436	7.2
57.07048	2.7
59.04981	5.0
63.83689	1.1
65.03924	3.2
67.05495	100.0
67.29669	1.1
69.05487	1.1
69.07056	9.1
71.04968	3.2
71.08596	1.6
72.21877	1.0
79.05481	21.6
81.07042	32.0
83.04963	1.5
83.08601	9.2
85.06507	3.2
91.05465	32.4
93.07028	29.7
95.04940	3.2
95.08592	17.0
97.06526	2.5
97.10133	4.3
97.73277	1.3
99.08071	1.9
102.44102	1.2
105.07012	31.5
107.04927	1.4
107.08578	19.5
109.06514	1.6
109.10136	67.8
110.10410	1.6
110.16916	1.2
111.08035	3.2
117.07000	9.3
119.08562	32.8
121.10137	10.7
123.07998	1.1
123.11618	1.2
125.09585	4.0
129.06984	6.2
131.08548	10.3
133.10098	24.9
135.08023	1.7
135.11674	10.9
137.09563	2.4
143.08530	4.4
145.10123	10.3
147.11664	24.7
149.13234	7.3
155.10626	3.1
157.10088	5.0
159.11688	8.6
161.13232	17.2
163.11147	1.2
163.14777	2.7
163.64755	1.2
171.11670	8.6
171.12985	1.5
173.11707	20.2
173.13246	6.6
175.14772	8.4
185.13234	6.1
187.14728	3.6
189.11157	1.9
189.16441	1.4
199.14732	3.6
205.82533	1.2
211.14700	1.2
215.17763	1.1
227.12837	3.6
229.14320	42.7
231.21075	4.7
241.19492	22.8
243.21030	1.9
259.20557	47.3
261.22086	3.2
275.20172	1.4
277.21536	2.8
315.23083	3.2
333.24155	22.3
351.25098	1.7
395.29453	1.5
487.34134	9.0
505.35254	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	505.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24633	0.9
53.03931	2.5
55.01860	2.1
55.05498	13.9
55.41034	0.7
57.03426	9.3
57.07064	1.8
59.04991	3.4
65.03928	3.2
67.05493	100.0
68.05823	1.3
69.07059	8.3
71.04986	4.4
71.08605	1.3
79.05479	23.2
81.03407	0.8
81.07043	36.2
83.08611	8.6
85.06516	4.0
91.05463	35.6
93.07029	28.7
95.04958	3.0
95.08584	19.5
97.06503	2.0
97.10165	3.0
99.08101	2.5
105.07013	31.5
107.08573	17.6
109.06503	1.2
109.10137	70.3
111.08063	3.9
113.09686	1.1
117.07015	8.1
119.08555	32.5
119.31471	0.9
121.10123	13.1
123.11710	1.6
125.09608	3.5
129.06985	6.3
131.08540	13.0
133.10103	22.3
135.08009	1.3
135.11676	10.5
137.09583	4.3
142.07817	1.0
143.08536	3.7
145.10086	11.0
147.11653	25.6
149.09590	1.7
149.13248	7.0
151.11111	1.1
155.10640	4.8
157.10068	4.2
159.11656	11.6
161.09764	1.2
161.13223	20.2
161.14528	1.2
163.11215	1.1
163.14767	1.7
167.81290	0.9
171.11671	6.8
171.18568	1.0
173.10201	1.1
173.11728	22.1
173.13252	5.3
175.11301	1.6
175.14822	8.7
177.12726	1.3
179.14209	0.9
185.13225	6.3
187.14827	3.4
189.11176	1.8
189.12735	1.3
191.14384	1.8
199.14830	4.1
213.16331	1.8
215.17990	1.3
217.19576	1.0
227.12764	4.9
229.14305	50.0
230.14551	1.1
231.21037	4.5
241.19484	21.5
242.19861	1.1
243.20885	1.1
259.20529	52.3
260.20865	2.0
261.22144	3.3
275.20001	1.0
277.21478	2.6
315.23169	3.8
333.20209	1.7
333.24200	28.0
351.25333	1.4
395.29654	1.3
413.30515	2.0
469.32501	1.0
487.34140	9.1
505.35223	10.4
520.90851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.45421	1.5
55.01854	2.7
55.05505	40.2
56.05796	1.4
56.96548	1.9
57.03420	6.4
57.07063	9.6
59.04982	3.1
65.03922	4.8
67.05494	100.0
69.03419	5.8
69.07060	16.6
70.16739	1.6
71.04975	4.9
71.08601	4.3
71.44289	3.8
79.05485	46.8
81.03404	13.2
81.07046	55.9
83.04974	5.1
83.08608	25.0
85.02917	1.6
85.06539	3.4
85.10177	1.6
91.05461	37.3
93.07029	47.5
95.04957	8.8
95.08594	36.2
97.06531	2.4
97.09568	2.9
97.10152	32.4
99.08088	2.6
105.07014	29.3
107.08578	30.1
109.06495	1.7
109.10141	54.2
111.08082	4.0
113.09661	1.9
117.06983	8.6
119.08565	34.7
121.10136	15.1
123.11671	4.2
125.09612	28.1
126.37085	1.5
129.06985	6.6
131.08559	16.2
133.10109	21.8
135.08023	3.7
135.11664	16.8
137.09622	3.6
143.08531	4.9
145.10091	10.2
147.11676	22.2
149.09579	1.7
149.13220	9.2
153.09175	2.0
155.10687	2.0
157.10117	6.8
159.11696	12.9
161.13228	17.4
163.14764	3.3
171.10167	1.6
171.11653	5.4
173.11723	14.7
173.13258	8.9
175.14787	7.2
185.13275	4.5
187.14761	2.1
189.11191	25.9
189.12802	1.9
193.12238	5.1
194.97787	1.6
199.14787	3.4
199.55499	1.4
217.15762	1.7
224.44296	1.5
227.12720	22.2
229.14313	35.5
231.21019	4.2
235.86174	1.6
241.19466	15.4
243.21085	4.3
245.13794	3.0
259.20557	38.2
261.22079	13.5
277.21652	4.0
315.23178	2.4
317.24774	2.1
328.33978	1.6
333.17664	3.0
333.24237	17.6
336.43152	1.5
377.28500	1.6
395.29431	1.9
431.31180	2.0
467.79694	1.7
487.34079	12.0
505.34576	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.6
60.39094	1.5
70.06584	7.1
71.69884	2.5
84.04490	2.6
84.08109	2.4
85.02916	2.1
97.02853	2.5
110.38336	1.4
119.01867	2.4
136.07556	2.6
152.05702	6.7
161.02966	3.8
174.97557	1.6
182.64886	1.6
200.42624	1.6
220.98314	2.0
236.12575	1.6
248.53430	1.5
248.80177	1.6
284.97284	1.8
295.78836	1.9
297.02350	2.5
313.01645	2.7
315.03336	4.0
319.03110	5.4
325.01654	12.0
329.05005	3.0
331.02917	15.6
331.06546	2.2
333.04547	44.5
334.04681	2.3
337.04111	2.7
339.47934	1.9
343.02930	39.7
344.03168	3.2
347.06259	3.6
351.05811	14.8
355.02911	14.2
361.03979	100.0
362.04190	2.6
367.02939	2.7
373.03937	9.6
379.05054	30.3
381.04352	2.0
384.05698	6.2
384.99478	2.6
385.03967	23.7
391.05344	9.3
397.04163	2.1
403.00644	3.5
403.05069	77.5
404.05240	5.7
415.04974	6.1
426.06595	7.9
427.05084	6.2
433.06033	6.7
445.05841	9.6
463.07193	26.4
486.08685	1.7
505.08398	6.3
505.26721	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37672	3.6
53.03927	10.4
53.11845	3.6
55.05491	18.1
57.03389	5.1
57.07049	5.7
67.05499	42.1
69.03413	14.4
69.07068	42.5
70.06577	6.8
71.04976	7.1
72.17293	4.0
73.02883	4.8
79.05479	30.5
81.03383	11.9
81.06612	6.3
81.07050	100.0
83.08596	16.2
85.02898	27.9
87.00830	13.8
91.05446	43.9
93.07033	88.4
95.04938	10.1
95.08595	99.0
97.02894	21.7
97.06520	5.4
97.10144	8.3
99.08105	8.3
105.01855	15.4
105.07018	97.3
107.04949	3.9
107.08576	99.0
109.02859	14.3
109.06493	5.8
109.10151	80.0
111.08057	9.8
117.06990	6.6
119.08566	95.7
121.10131	58.4
123.08062	5.3
123.11675	26.5
125.09612	19.2
127.03915	32.1
133.10115	51.8
135.11679	30.0
137.05965	7.2
145.04938	15.3
145.10112	4.0
147.10565	7.8
147.11667	89.7
151.11183	5.4
156.13776	5.3
159.02831	11.0
161.13202	29.3
163.14761	6.2
164.86562	3.8
165.12720	15.9
175.14816	19.4
177.16394	9.3
203.17932	88.7
221.18930	10.9
229.75795	4.3
231.04938	12.1
236.47707	3.9
248.07690	3.7
249.06033	10.7
284.09564	5.7
287.85266	4.5
291.58105	4.4
298.96774	4.3
340.83984	3.8
375.67926	4.4
386.62985	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	504.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.1
67.05490	28.8
69.07070	14.9
69.90993	55.1
74.74966	7.9
79.05471	16.2
81.07024	44.2
91.05439	19.7
93.07029	100.0
95.04945	13.6
95.08572	36.7
98.20772	9.8
105.07043	47.2
105.64254	7.5
107.08588	54.3
109.10152	51.8
111.08041	24.4
119.08542	33.5
121.10102	26.9
133.10049	14.8
135.11711	50.6
147.11655	39.3
161.13252	17.7
167.05550	10.4
203.17928	42.4
477.01407	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	504.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
58.85482	1.4
67.05472	1.8
69.03410	11.6
70.06583	7.5
71.04983	1.8
71.68755	1.4
71.69166	2.7
72.08150	18.4
79.05480	2.9
81.03395	3.9
81.07029	6.0
83.04968	5.2
84.04484	2.1
85.02895	14.1
86.00626	1.8
86.09698	14.3
91.05422	3.2
93.07039	5.0
95.04955	6.4
97.02871	5.5
99.04427	1.6
105.07015	5.6
109.06504	2.1
116.07054	1.7
119.04914	5.7
119.08556	4.3
121.02810	2.0
121.61449	1.3
122.02729	2.1
123.04398	4.5
126.58710	1.5
127.03893	4.3
129.10204	2.2
131.08582	1.8
132.01132	3.7
133.10089	10.0
137.05859	7.9
145.04971	2.6
145.06345	2.0
145.10049	1.8
147.11642	2.5
149.05974	10.1
149.09529	2.8
150.09148	1.8
157.09880	2.3
158.05203	1.3
161.09590	20.2
165.05446	55.4
167.05545	1.9
173.09235	2.0
175.11127	7.7
188.08313	4.0
201.12343	1.9
203.10635	100.0
221.11665	27.3
223.13446	2.2
272.12347	8.8
299.06171	2.5
300.06073	1.9
309.09634	9.8
333.04297	2.0
342.13657	5.4
357.21268	5.3
361.04254	3.0
383.16962	8.1
403.05273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03935	3.8
55.05504	17.0
56.99678	0.9
57.03415	2.4
57.07062	3.5
65.03940	2.4
65.46452	1.0
67.05497	61.3
69.03423	1.3
69.07055	12.6
69.64599	9.6
71.04986	5.8
79.05482	37.0
81.03405	3.0
81.07046	100.0
83.04971	2.3
83.08607	9.8
85.06528	10.2
91.05460	22.7
93.07035	31.3
95.04965	4.8
95.08588	20.5
97.06531	2.9
97.10175	4.4
99.08098	1.2
105.07016	17.0
107.08572	18.8
107.09230	1.3
109.06516	2.5
109.10145	12.2
111.08027	1.2
117.07031	4.3
119.08563	12.6
121.10129	13.1
123.11694	9.8
123.28510	1.1
125.09663	1.5
129.07031	1.9
131.08548	8.6
133.10110	14.2
135.11673	9.4
143.08603	2.1
145.10098	6.1
147.11652	5.7
149.09686	1.5
149.13293	3.5
151.11180	3.4
151.87247	1.1
157.10155	2.3
159.11729	4.1
161.13245	4.2
167.05496	2.2
169.12268	2.9
171.11702	1.6
173.13306	3.5
175.14832	1.1
185.13307	1.3
187.13316	7.9
187.14842	2.4
193.12296	1.8
197.13287	1.3
199.14827	1.7
214.66705	1.0
249.14903	1.2
259.20596	1.4
261.22156	4.4
275.20001	1.3
350.73569	1.1
377.85666	1.0
393.31488	1.4
411.32770	3.0
429.33975	1.5
485.35959	1.5
503.37411	72.6
504.37857	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	503.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05505	17.2
56.65083	1.2
57.03418	2.3
57.07059	2.4
60.26120	1.0
65.03927	3.5
67.05493	69.9
68.79906	1.1
69.07047	11.4
69.77988	0.9
71.04986	6.5
79.05018	2.0
79.05481	31.2
80.05818	1.2
81.03429	1.7
81.07043	100.0
83.04967	2.3
83.08600	9.2
84.11306	1.1
85.06516	10.9
91.05462	25.9
92.35506	1.1
93.07027	31.1
93.07587	2.2
94.96729	1.3
95.04950	5.9
95.08588	22.9
97.06522	1.7
97.10132	1.8
98.21456	2.8
105.07009	17.2
107.08580	15.3
109.06489	1.7
109.10135	12.5
111.08027	1.8
117.07000	3.6
119.08553	12.1
121.10126	14.4
122.45414	1.4
123.08060	1.4
123.11679	14.6
126.88170	1.2
131.08525	8.3
133.10104	15.2
133.71831	1.0
135.08046	1.2
135.11656	9.0
145.10143	5.0
147.11636	5.5
149.13237	3.3
151.11145	6.4
153.12807	1.2
157.10112	2.4
159.11713	4.3
161.13232	3.1
169.10115	1.1
169.12222	2.9
170.75772	1.0
171.11642	1.2
173.13214	3.5
185.13248	1.6
187.13293	8.9
261.22092	2.5
306.49335	1.2
322.49149	1.2
328.50165	1.2
343.14862	1.0
393.31766	1.3
411.32370	3.2
434.73871	1.2
435.66705	1.2
436.34937	1.1
485.36319	2.2
503.37598	59.9
504.37708	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	503.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01868	6.5
55.05502	22.0
57.03430	5.4
57.04949	1.0
57.07053	1.3
59.04994	2.8
65.03928	5.2
65.19849	1.3
67.05495	100.0
69.03418	1.9
69.07059	14.1
71.04980	3.9
79.05482	31.7
81.03412	4.3
81.07045	56.0
83.04955	5.3
83.08595	13.9
84.04503	1.2
85.02940	2.1
85.06537	3.6
85.76662	1.1
90.55651	1.2
91.05452	34.6
91.05944	1.9
93.07036	26.1
95.04966	7.9
95.08594	19.8
97.06525	6.8
97.10171	3.9
98.21438	3.9
99.08062	1.4
105.07013	31.8
107.04954	5.1
107.08573	22.6
109.06506	13.4
109.10140	55.2
110.10435	1.1
111.08080	4.0
117.06985	11.4
119.08562	25.1
121.06483	4.4
121.10130	10.0
123.08075	3.6
123.11712	4.2
125.09624	5.1
129.06950	6.4
129.90366	1.4
130.07620	1.1
131.08560	15.2
133.06516	1.9
133.10120	17.7
134.98341	1.1
135.08070	5.2
135.11690	4.5
137.06010	1.6
137.09621	4.7
141.07001	2.4
142.07774	1.1
143.08563	6.4
145.10107	23.4
147.08054	3.0
147.11671	13.2
149.09631	7.7
149.13269	3.7
151.11214	2.0
155.08556	2.9
155.10626	2.2
155.16826	1.3
157.10130	4.8
159.08055	2.2
159.11653	12.2
161.09641	2.9
161.13260	3.7
163.11131	6.4
167.05551	1.7
169.10147	4.0
171.11624	5.7
173.09621	1.5
173.11748	13.1
173.13283	6.2
175.11143	2.1
177.12694	2.5
179.10800	1.3
179.14311	3.6
183.11725	3.6
185.13234	2.5
187.11215	1.4
187.14798	1.8
189.11212	2.0
193.12251	1.8
197.13249	3.1
211.13284	1.7
215.18073	2.4
217.15782	1.3
229.14333	6.8
229.19566	3.7
229.66739	1.7
233.15425	1.3
239.17924	5.1
247.20567	3.6
257.18915	15.4
259.08386	1.4
259.20593	3.4
271.04541	1.2
275.20016	51.9
277.21732	1.2
293.21149	4.7
299.06122	3.0
331.22693	3.0
349.23709	1.4
391.24350	5.8
393.27991	2.4
411.29092	3.9
466.51532	1.2
485.32782	6.8
503.33615	56.0
504.34055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01862	4.1
55.05500	20.5
57.03428	5.6
57.07069	2.3
59.04981	3.5
65.03925	3.0
67.05492	100.0
69.03429	2.4
69.07050	12.5
71.04976	5.2
71.05329	1.0
78.17010	1.0
79.05478	36.4
81.03400	3.9
81.07041	98.7
83.04963	4.3
83.08604	12.6
85.06527	3.3
91.05456	30.2
92.05735	1.0
93.07030	23.5
95.01302	2.2
95.04949	8.9
95.08588	24.3
97.06491	7.2
97.10151	2.6
98.20621	1.4
99.08045	1.4
103.05470	1.4
105.07010	27.2
106.14580	0.9
107.04955	7.3
107.08571	17.4
107.09246	1.6
109.06497	30.0
109.07200	1.9
109.10133	53.6
111.08038	4.6
111.66045	1.1
117.06995	9.1
119.07727	1.9
119.08561	28.6
121.06461	4.7
121.10129	11.5
123.08045	4.9
123.11713	3.7
125.09606	3.3
129.07010	3.9
130.07719	1.0
131.08542	12.1
133.06473	1.8
133.10104	19.7
135.08067	2.9
135.11681	5.3
137.09607	4.1
139.52859	1.0
143.08513	3.0
145.10095	12.9
147.08051	1.8
147.11661	13.0
149.09587	5.9
149.13240	10.5
151.07532	1.2
151.11166	1.9
155.08537	2.0
155.10661	2.7
157.10126	3.4
159.08052	1.0
159.11667	11.5
161.09630	1.6
161.13225	3.8
163.11162	6.1
163.14809	4.0
165.12767	3.3
169.10028	1.7
169.31985	0.9
171.11661	3.4
173.11739	10.3
173.13263	5.8
175.11185	2.1
177.12758	1.7
179.14297	3.5
183.11693	3.0
185.13152	1.4
187.11218	1.6
187.14813	2.1
191.14281	1.9
193.10426	1.0
193.12245	3.8
193.80644	0.9
197.13205	1.6
201.12723	1.7
211.13287	4.0
219.17490	1.2
229.14371	3.2
229.19490	5.4
229.77434	1.4
233.15428	1.1
239.17955	2.4
247.20599	7.4
257.19009	8.3
275.20010	76.1
276.20410	2.2
293.21063	8.8
299.06174	1.8
338.39215	1.3
349.23795	3.3
393.27887	1.8
411.28839	2.0
429.29919	1.8
447.31284	1.3
484.45459	1.0
485.32639	3.5
503.33612	62.5
504.34265	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	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78675	0.7
69.03422	1.4
69.58897	6.7
79.05460	1.2
81.07027	1.0
81.36422	0.7
85.02893	4.9
86.09691	1.0
91.05470	3.5
94.04170	2.5
95.60161	0.7
97.02858	1.5
103.05424	1.3
105.07012	5.0
107.04926	0.9
109.06486	2.1
115.05456	3.7
117.07026	1.5
118.04149	1.0
119.04915	1.4
119.08578	1.8
122.03635	6.2
128.06223	1.8
129.06963	2.3
131.04916	2.0
131.08638	0.8
132.05644	1.9
133.06458	5.1
137.05956	100.0
138.06291	1.0
141.06982	1.1
144.05696	0.9
145.06512	1.1
147.04361	1.5
147.08038	3.0
149.05994	1.7
151.07480	0.9
154.95052	0.8
159.08037	3.1
160.05211	1.9
161.05952	15.3
171.08237	0.8
172.05197	1.6
175.05994	1.6
175.07523	29.9
175.12471	0.7
184.05147	1.0
187.07541	9.4
189.06863	0.8
190.07793	2.2
191.08540	6.0
199.07491	9.7
202.07722	2.1
203.08485	4.7
218.07249	1.9
218.49675	0.7
219.08028	11.7
220.08789	2.4
231.08020	6.8
232.08716	1.9
233.26837	0.8
235.11034	1.0
236.08351	1.8
247.07611	4.1
248.08342	3.0
251.10649	13.5
259.07568	3.5
260.08276	1.3
261.08994	1.1
263.10675	3.9
276.07831	1.3
277.08691	1.6
279.10120	9.5
291.10181	8.2
292.10910	3.5
295.13177	1.6
308.10431	1.1
311.12732	22.2
323.12723	15.7
513.77179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76668	0.6
53.03933	1.2
55.01861	1.6
57.03410	2.0
61.02909	2.1
69.03092	0.8
69.03423	8.1
70.06570	1.2
71.04978	1.2
71.08416	1.8
72.08139	1.0
73.02887	0.9
79.05467	2.9
81.03410	3.4
81.07054	3.1
84.23968	0.7
85.02891	15.5
86.09703	0.7
87.04465	1.2
89.06015	1.6
91.03968	0.7
91.05438	4.0
93.07023	1.2
94.04159	3.8
95.04963	1.2
95.08593	1.1
97.02884	6.4
99.04419	1.1
103.05466	3.7
104.06237	0.7
105.07013	4.5
107.04920	1.0
107.08580	1.6
109.02860	1.9
109.06483	3.2
115.05454	3.7
117.07012	1.3
119.08586	2.6
122.03626	6.7
127.03941	4.2
128.06207	2.4
129.06996	2.3
131.04892	5.7
131.08577	0.8
132.05666	1.1
133.06450	2.8
137.05954	100.0
138.06305	1.1
141.06944	1.8
143.04932	0.8
145.04910	1.6
145.06487	1.6
146.03590	0.8
147.04326	1.1
147.07985	3.5
147.11545	0.7
149.05957	1.3
151.11142	1.6
155.04904	0.7
156.05632	0.9
156.13785	1.6
159.08020	1.6
160.05173	2.2
161.05942	11.9
161.09541	0.8
163.07515	7.9
167.07025	1.3
169.06461	1.3
171.07967	1.3
175.07523	39.8
177.09052	1.0
178.71526	0.7
184.05251	1.3
187.07497	6.1
189.06891	1.1
189.09000	0.7
189.12740	1.9
190.07681	1.5
191.08562	5.0
199.07513	14.2
201.09215	1.2
202.07672	4.1
203.08524	8.4
207.13739	4.8
217.08556	0.8
218.07253	1.1
219.08028	8.1
220.08827	2.6
225.14832	2.7
231.08006	10.4
232.08647	1.3
233.05954	0.9
233.09326	0.7
235.07535	1.1
237.09085	1.1
245.09531	0.8
247.07556	2.7
248.08223	5.0
249.09016	1.2
251.10648	7.9
259.07480	6.7
260.08301	1.8
261.08997	1.2
262.09976	0.9
263.10623	5.3
264.07797	0.8
265.08588	1.3
275.06900	1.0
276.07855	3.2
277.08533	3.5
279.10141	7.7
280.10907	0.9
285.03928	6.7
291.10098	12.4
292.10812	5.8
293.08072	1.6
293.11221	1.0
295.13135	1.3
297.03986	0.8
299.05798	1.0
308.10370	1.8
309.10983	0.9
311.05548	3.1
311.12723	17.2
315.04803	0.8
322.87640	0.7
323.12723	23.8
323.16583	1.2
324.13217	0.9
325.07364	1.2
325.14267	1.9
327.57559	0.7
341.14014	1.0
353.10046	8.1
354.10199	0.9
379.11609	1.1
383.11185	2.7
407.11218	4.0
419.10962	0.9
431.11313	1.2
449.12241	1.3
467.13397	1.5
485.13254	0.9
502.41852	2.3
503.19568	2.4
503.31793	1.0
503.42377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.8
55.01862	9.5
55.05500	67.3
57.03437	6.4
59.04990	7.4
67.05495	100.0
69.03417	7.8
69.07062	23.1
71.04976	6.2
71.71516	6.4
73.02924	3.8
73.77727	3.6
79.05488	32.3
81.03407	14.2
81.07046	70.1
83.04962	12.4
83.08601	36.1
85.02895	22.7
85.06527	6.2
87.04463	8.5
88.07626	3.9
91.05449	32.4
93.07027	31.3
95.04964	8.7
95.08575	18.4
97.02879	6.6
97.06507	10.0
97.10152	51.5
105.07009	13.8
107.04919	5.3
107.08582	27.7
109.06465	6.6
109.10146	72.9
111.08107	7.4
115.92767	3.3
117.06992	10.0
119.08561	12.4
121.06515	4.6
121.10116	13.6
125.09610	61.9
129.06926	4.0
131.08580	14.3
133.10126	37.9
135.11703	18.5
137.09618	3.7
143.10664	8.9
145.10086	8.7
147.11650	4.2
149.09601	9.0
149.13216	20.7
153.12706	6.4
155.10643	6.6
159.11670	8.6
163.11182	14.1
173.11726	57.0
177.12788	9.9
187.13300	12.2
191.10553	9.4
193.12227	7.7
195.13774	37.2
197.85829	3.7
209.11739	15.7
224.02887	3.4
227.12616	6.6
359.32446	3.9
393.28897	4.1
480.07745	4.0
500.10150	3.7
502.36108	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	501.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82650	1.0
53.03933	3.0
55.01844	1.0
55.05504	20.2
57.03428	1.9
57.07066	2.3
59.05011	1.1
59.68943	0.8
59.80232	1.1
64.57640	0.9
65.03928	1.6
67.05135	2.2
67.05494	37.5
69.07055	18.8
71.04980	1.1
71.69711	1.6
71.70074	1.0
79.05479	22.5
81.07043	42.2
83.04974	2.1
83.08604	8.5
85.06551	2.5
91.05463	30.7
93.07030	25.5
95.04979	2.9
95.08587	33.3
97.06536	3.5
97.10142	4.8
99.08092	1.3
103.05492	1.6
105.07014	40.8
107.08572	13.0
107.42411	1.0
109.06519	2.1
109.10136	13.5
111.08117	1.8
115.05508	1.4
117.06992	17.5
119.08558	35.7
121.10142	9.9
123.08085	2.0
123.11698	3.1
125.09626	2.4
128.06206	1.3
129.06955	6.8
131.08540	27.4
133.10109	24.3
135.11658	5.3
137.09615	1.2
141.06995	2.1
142.07883	1.1
143.08553	9.3
145.10097	23.9
145.19391	1.0
147.11662	15.1
149.09695	1.0
149.13261	3.2
155.08522	4.8
157.10075	7.7
159.11655	17.1
161.13232	8.0
163.11119	1.0
163.14902	1.1
169.10072	5.5
171.11655	7.6
173.13206	12.3
175.14836	2.9
177.12764	1.2
181.10083	2.3
183.11713	4.0
185.13223	6.1
187.14749	8.3
189.12878	1.4
189.16277	1.5
195.11716	1.3
197.13278	3.8
199.14917	3.5
201.16365	2.5
209.13301	2.3
211.14848	1.9
213.16304	1.8
223.14796	1.7
225.16312	2.1
237.16498	1.2
247.17247	1.0
249.18420	1.1
253.19553	1.1
257.19061	1.8
267.21118	1.3
271.20490	1.1
275.19986	1.4
283.20724	1.5
285.22156	3.3
289.21545	1.5
297.22296	2.3
299.23767	2.1
315.22983	1.2
317.24869	3.6
319.26212	1.3
325.25320	1.9
331.26398	1.7
343.26105	1.2
345.28021	3.9
349.25085	1.1
381.27917	1.2
391.29871	1.1
409.31076	3.8
419.33060	4.5
427.32263	1.5
437.34128	14.2
451.35638	1.2
469.36649	16.5
501.39481	100.0
502.39740	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	501.357
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
55.01848	8.6
55.05501	28.0
64.93041	7.0
67.05495	61.8
69.07056	25.1
70.89487	12.2
71.04982	7.7
75.03249	5.9
79.05499	42.1
81.07036	56.6
83.08617	12.9
85.06537	9.4
91.05479	49.0
93.07028	40.5
95.04961	9.4
95.08607	38.5
97.10188	7.0
104.93960	6.6
105.07007	39.5
107.04939	6.4
107.08555	32.6
109.02823	6.7
109.06563	9.0
109.10183	17.1
117.07017	26.1
119.04996	6.3
119.08544	30.7
121.10159	15.7
125.09515	7.6
128.06168	14.1
129.06998	26.4
131.08601	36.5
133.06512	7.6
133.10132	22.3
135.11726	10.8
137.09560	10.4
140.16617	7.7
141.06999	9.6
143.08545	26.3
143.77245	6.5
145.06444	7.7
145.10139	27.1
147.08022	16.0
147.11729	10.8
149.09721	10.1
155.08501	18.9
157.10109	15.0
159.08066	19.2
159.11635	17.7
161.09605	10.4
167.08583	9.5
169.10071	19.4
171.11702	12.7
173.09581	11.8
173.13309	8.0
177.12706	9.2
181.10153	9.9
183.11711	15.1
185.09698	9.0
185.13301	13.4
187.11200	13.0
193.10150	8.8
195.11806	8.7
197.13167	7.8
277.78500	7.7
423.32751	9.1
433.30890	39.6
451.31964	100.0
465.33881	11.6
469.33310	43.4
483.34531	70.5
501.35812	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	501.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01854	3.5
55.05502	27.6
55.59570	1.1
57.03165	1.5
57.03427	21.8
57.06822	1.3
57.07061	12.3
59.04976	1.1
61.02916	62.2
65.03943	1.5
67.05495	33.6
69.03043	1.6
69.03416	31.3
69.07056	42.8
69.49615	10.5
71.01336	3.1
71.04971	5.5
71.08612	7.5
73.02907	29.5
75.04476	1.7
79.05480	14.2
81.03401	17.4
81.07041	40.7
83.04968	3.6
83.08608	27.3
85.02892	59.0
85.06519	2.0
85.10159	3.9
87.04466	3.0
91.03941	40.8
91.05460	4.2
93.07030	23.0
95.04958	2.5
95.08592	34.3
97.02875	56.1
97.06500	4.9
97.09580	1.5
97.10158	18.6
98.20721	1.9
99.04441	9.9
99.08083	1.3
101.02363	12.5
103.03922	9.0
103.67363	1.1
105.07012	3.1
106.19541	1.1
107.08573	13.1
109.02875	10.6
109.10142	15.1
111.04386	2.5
111.08058	2.5
111.11716	7.3
115.03903	4.3
117.05471	3.8
119.08612	1.2
121.10128	20.5
123.11681	5.3
125.13278	1.3
127.03893	20.6
129.05443	5.6
131.08524	1.5
135.11667	13.1
137.13190	2.0
139.11153	3.2
145.04955	9.5
145.10164	1.5
149.13214	8.0
151.14784	2.3
152.88348	1.2
159.06506	1.8
159.11690	1.4
163.14795	2.9
165.16373	1.8
171.06488	1.3
177.16376	1.8
183.06561	5.5
191.17882	2.2
201.07512	4.6
205.19585	1.5
227.34645	1.1
247.24210	12.0
265.25247	27.7
272.80023	1.2
339.28885	100.0
340.29263	2.5
367.28320	2.9
373.27234	2.2
381.29968	1.4
409.29489	1.7
427.00491	1.2
447.30588	1.8
465.31604	2.4
480.18576	1.3
483.33350	5.1
501.34464	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	501.1598
Annotation	Haploperoside C
Peak:m/z	Relative Intensity
53.16518	0.4
55.09485	0.4
57.03413	0.8
60.04520	0.4
70.06573	1.2
70.52637	0.8
70.53035	1.0
71.04978	4.0
83.04936	0.8
84.04496	0.8
84.08111	0.8
85.02896	5.9
86.09694	3.5
111.04390	0.7
116.07082	0.5
129.05446	1.3
133.02837	9.6
137.05986	2.3
143.08148	0.5
145.06052	0.8
149.05959	1.0
165.05467	0.9
178.02568	5.3
193.04938	100.0
194.05293	1.8
198.08701	0.4
230.92879	0.4
287.99731	0.5
355.10294	0.8
358.20752	0.7
368.19318	0.6
386.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45612	0.9
55.96673	0.8
69.42923	10.6
82.99838	2.2
87.08401	0.8
89.00869	1.0
90.07327	0.9
94.99848	1.5
97.02909	1.1
101.00853	9.6
103.02422	3.6
105.00363	1.0
113.00875	3.0
117.05300	0.9
117.28941	1.0
119.01903	29.4
121.03430	2.7
127.02390	8.7
129.03992	0.9
131.01894	18.8
133.03441	2.1
137.02975	2.1
139.02327	1.3
143.01874	20.5
144.02089	1.0
145.03447	47.6
146.03589	1.0
147.01357	2.9
147.05013	1.5
149.02917	2.9
155.01869	25.7
157.03458	18.2
159.05028	1.1
161.02946	25.4
163.04517	6.6
167.01875	9.4
168.05040	1.8
169.03493	3.8
170.16942	0.9
171.01372	7.6
171.05025	3.7
171.58487	1.0
173.02940	48.4
174.03197	2.3
175.04495	5.0
179.01880	3.8
181.03445	1.8
183.01315	1.6
185.02939	46.6
186.03087	1.5
187.04550	4.9
189.02441	8.3
191.04062	1.9
196.04518	2.3
197.02939	17.3
197.56847	1.0
199.00847	4.6
199.04530	3.5
201.02438	2.4
201.64905	1.2
203.03966	15.0
208.04474	1.1
209.02933	2.8
211.04488	1.0
215.04028	9.7
217.01921	53.5
218.02162	1.6
221.05013	4.0
227.03944	8.2
229.01920	10.2
235.02966	23.3
239.03989	1.0
245.05042	100.0
246.05228	3.3
247.02953	13.0
247.06726	2.9
253.03990	1.9
257.05035	13.0
258.04620	2.1
263.06073	11.6
265.04013	2.6
275.06049	13.8
276.06378	1.1
277.04016	19.2
286.07428	1.1
293.07083	5.2
301.03983	11.8
305.07108	8.1
317.07144	1.4
319.05038	25.0
320.05154	1.1
335.08124	4.2
337.06146	26.5
338.06161	1.5
344.14462	1.0
365.09265	7.8
372.33737	1.0
499.11398	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	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99976	1.1
71.12277	3.0
71.12619	1.3
82.99834	1.5
94.99860	1.6
97.02886	1.6
101.00871	9.5
103.02406	2.8
113.00854	3.2
119.01904	28.3
121.03469	2.0
127.02383	9.3
131.01892	15.7
137.02937	3.1
139.02385	2.2
143.01874	19.1
145.03442	46.1
146.03621	1.6
147.01369	4.2
149.02963	2.5
155.01865	23.5
156.01973	2.1
157.03456	17.0
161.02943	23.2
163.04486	6.1
167.01880	10.0
169.01796	1.5
169.03421	4.4
171.01355	6.4
171.05019	3.4
173.02937	49.6
174.03061	2.5
175.04483	4.3
179.01872	3.0
179.03816	1.2
181.03413	2.6
182.98190	1.3
185.01260	2.3
185.02931	45.2
187.04488	5.9
189.02451	9.1
189.05988	1.5
190.40594	1.3
191.03842	1.7
197.02934	15.0
199.00861	4.4
199.04576	3.6
203.03981	16.6
204.69926	1.2
209.02869	3.0
215.03966	12.1
217.01906	52.8
218.02109	2.0
221.05035	4.9
227.03993	8.4
229.01913	12.7
235.02966	20.2
245.05043	100.0
246.05214	3.9
247.02922	15.9
247.06699	2.2
253.04008	1.8
257.05045	13.3
258.04700	2.3
259.97583	1.3
261.02667	1.4
263.06085	13.2
265.03958	2.6
275.06097	15.5
277.04028	22.6
293.07016	3.7
301.04022	10.3
305.07117	10.2
319.05078	26.2
327.10660	1.5
335.08310	4.2
337.06119	31.5
338.06131	1.5
357.41022	1.4
365.09225	10.3
499.11362	26.0
500.11584	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	499.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	1.0
61.02694	0.8
65.34358	0.9
68.98302	1.0
71.68553	1.4
71.68944	1.4
77.00854	1.2
82.99875	3.1
83.00858	1.0
94.99836	1.1
97.02920	1.0
101.00850	14.5
102.43876	0.9
103.02448	5.9
105.00362	1.2
109.02864	1.2
113.00854	3.9
119.01900	32.3
121.03451	3.4
127.02370	10.9
129.00348	1.3
129.03972	2.4
131.01875	20.3
132.66563	1.0
133.03470	2.1
137.02968	3.7
139.02422	3.0
142.03513	1.3
143.01878	25.1
144.01932	1.0
145.03439	56.9
146.03572	2.0
147.01399	3.7
147.05040	1.3
149.02951	2.8
155.01860	33.0
157.03442	22.6
161.02924	29.2
162.03125	1.2
163.04527	6.9
167.01852	11.0
169.03439	4.4
171.01379	9.2
171.05054	4.3
173.02939	56.5
174.03075	1.6
175.04518	4.3
179.01813	4.8
181.03505	1.0
183.01381	3.0
185.02933	56.2
186.03166	2.8
187.04485	7.0
189.02420	8.9
191.03961	1.8
196.04520	1.7
197.02914	18.9
199.00887	6.9
199.02541	1.2
199.04469	4.8
201.02438	4.0
203.03972	15.6
204.04286	1.3
208.04485	1.3
209.02942	4.3
211.00774	1.3
215.03949	11.7
217.01901	70.8
218.02130	3.3
221.05023	5.8
227.03987	14.1
229.01920	11.6
234.90875	1.0
235.02931	23.9
235.05174	1.4
236.03105	1.4
239.04039	2.9
241.01997	1.2
245.05028	100.0
246.05096	5.4
247.02927	12.5
247.06720	2.5
253.04121	1.5
257.05026	12.7
258.04871	2.2
259.02948	1.7
263.06104	12.9
265.04004	2.7
275.06128	13.7
277.04007	17.4
277.07025	1.3
293.07144	3.9
301.04031	12.3
305.07120	6.3
317.93182	1.1
319.05045	24.8
335.08179	4.2
337.06079	30.7
338.06610	1.4
346.26224	1.0
365.09253	8.5
383.10440	1.2
421.63177	1.1
444.90225	1.0
459.72150	1.0
499.11346	20.7
500.11581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.7
57.07068	34.5
66.08874	1.7
67.05492	2.4
69.07056	4.4
71.08616	26.6
71.70911	3.4
73.06554	5.7
79.05477	2.3
85.01891	2.1
85.10165	21.6
87.04455	3.1
89.06018	100.0
95.08619	2.7
97.10168	2.7
99.11702	5.6
107.07081	3.0
109.10119	1.8
113.99516	1.7
117.09113	4.2
130.08601	3.5
133.08580	52.5
135.10126	1.9
139.99156	1.9
155.17946	5.4
157.11371	1.8
177.11229	23.2
199.20566	4.0
210.13547	2.3
239.14758	2.5
243.23248	7.6
283.17490	3.4
287.25742	7.0
327.19971	13.7
481.37277	12.5
498.38797	2.3
499.33975	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	498.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54882	0.5
55.01847	1.4
55.05508	3.1
56.05036	0.5
58.06590	3.9
63.73484	0.5
67.05505	3.4
69.07043	1.5
70.06588	8.0
71.04957	0.7
71.08617	12.6
72.07766	0.8
72.08144	9.6
79.05493	4.2
81.07051	2.4
83.04939	1.5
83.08618	0.6
84.04485	1.1
84.07679	0.8
84.08121	4.1
85.06548	1.3
86.09690	1.0
91.05471	5.8
93.07029	3.5
95.04949	1.4
95.06090	0.8
95.08589	2.2
96.08095	0.6
96.24226	0.5
97.02892	0.7
97.06527	1.0
98.06046	1.9
98.09643	0.6
98.21538	1.0
99.04409	0.5
99.08080	22.4
100.07639	1.0
103.05445	0.6
103.80827	0.5
105.07019	2.3
107.04923	1.7
107.08566	2.2
110.09672	1.8
111.04457	0.7
112.07574	1.9
112.11215	3.4
115.05479	0.7
117.07001	4.0
119.08558	2.2
121.06441	0.5
121.10127	1.2
126.09116	0.8
128.10725	3.0
129.06978	0.8
129.13881	0.5
131.04886	0.8
131.08566	4.1
131.16876	0.5
133.10132	1.8
135.08018	1.0
135.11646	1.2
136.07570	1.2
137.05901	0.9
138.09138	0.9
145.06401	0.8
145.10094	2.2
147.11661	0.6
147.36143	0.4
148.07524	0.9
154.12181	0.9
155.15408	1.0
156.13823	100.0
157.10199	0.6
157.14198	1.0
159.07983	0.6
159.11674	2.0
163.11189	0.9
167.07028	1.0
170.15393	1.8
172.13309	1.7
173.13339	0.6
181.12204	0.7
191.10754	0.6
199.83888	0.5
201.12718	0.9
209.11819	1.1
213.19580	0.5
217.01863	0.6
225.19653	0.5
227.21202	1.2
244.23808	1.0
258.18436	1.2
276.19492	5.7
278.21048	1.0
283.15469	4.6
290.21094	3.5
294.20715	1.1
301.16330	2.9
324.29980	0.8
347.27014	1.4
364.29318	0.6
444.35919	1.8
444.76843	0.5
445.34384	0.8
462.36850	76.2
463.37128	3.2
480.37903	41.5
481.38309	1.4
498.32010	0.7
498.38934	15.2
499.39383	0.6
517.86725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48837	0.4
53.03913	0.4
55.01863	0.8
55.05490	2.3
56.05016	0.5
58.06593	3.0
62.16331	0.4
65.03943	0.4
67.05498	2.6
69.07040	1.4
70.06219	0.5
70.06577	7.0
70.51175	0.4
70.51577	0.4
71.04978	0.7
71.08617	12.4
72.07768	0.7
72.08142	9.2
72.76315	0.4
79.05482	3.6
79.05898	0.6
81.03407	0.8
81.07040	3.0
83.04958	1.1
84.04497	1.1
84.08123	3.9
85.02896	0.9
85.06512	1.3
86.09672	1.5
91.05463	5.0
93.07018	3.3
95.04948	0.9
95.08578	2.0
97.02840	0.8
97.06505	1.2
98.06037	1.5
98.09658	0.8
98.21459	1.2
99.04401	0.4
99.08077	21.6
100.07585	0.8
105.07033	2.7
107.04932	1.9
107.08590	2.2
109.06487	0.5
109.10118	0.4
110.09654	1.7
111.04419	1.1
111.08057	1.0
112.07572	1.7
112.08767	0.5
112.11222	4.1
117.06984	3.9
119.08566	2.2
119.09283	0.5
121.02820	0.4
121.06466	0.9
121.10109	1.2
124.07600	0.6
126.05520	0.4
126.09122	0.7
127.03921	0.4
128.10703	2.1
129.06973	0.9
129.10207	0.4
131.04874	0.5
131.08531	3.2
133.06450	0.4
133.10097	1.5
135.08003	1.2
135.11664	1.4
136.07617	0.6
137.05896	0.9
138.09146	0.8
145.06416	0.7
145.10080	1.4
150.09059	0.4
154.12201	0.8
155.08168	0.7
155.11783	0.5
155.15370	0.9
156.13809	100.0
157.10133	0.6
157.14188	1.9
159.08070	0.6
159.11679	1.5
163.11151	1.3
168.13863	0.5
170.15340	2.5
172.13293	1.1
173.09589	0.6
173.13196	0.8
181.12210	0.7
191.10670	0.9
201.12564	0.6
208.16907	0.4
209.11682	1.3
225.19576	0.6
227.12680	0.7
227.21162	1.2
244.23917	0.9
246.18311	0.4
272.20184	0.5
276.19550	5.1
278.21164	0.7
283.15353	6.8
284.15707	0.5
288.80374	0.5
290.21124	3.0
294.20554	1.4
301.16464	2.8
302.16611	0.6
347.26849	1.0
364.29489	0.5
444.35721	1.4
445.33975	0.9
462.36826	73.4
463.37347	3.0
465.83057	0.4
480.31390	1.5
480.37866	39.5
481.38281	1.8
498.32559	0.8
498.38937	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	498.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04398	1.5
53.03928	1.4
55.01859	2.0
55.05498	8.4
57.03416	6.7
61.02896	4.2
65.03918	2.2
67.05487	31.2
69.07066	8.9
70.06575	5.4
71.04975	8.8
71.70213	3.1
72.08150	2.5
73.02905	1.8
79.05495	9.2
81.03387	3.3
81.07040	51.7
83.04948	2.6
83.08597	4.4
84.08176	1.8
85.02879	5.5
85.06536	7.2
86.09676	2.3
87.04465	1.8
91.03924	2.5
91.05475	9.7
93.07026	17.4
95.04971	2.0
95.08588	8.7
97.02889	3.0
99.08051	2.5
105.07002	7.1
107.08552	6.6
109.02856	2.5
109.10132	5.1
111.08049	1.6
117.06982	3.7
121.10126	5.2
123.11679	7.6
129.10210	2.2
131.08510	3.4
133.10123	13.0
135.11633	3.7
149.13210	8.4
151.11127	4.5
156.13835	3.0
159.11661	16.5
161.13211	4.4
168.06543	2.4
169.12292	1.9
177.12695	21.8
179.14244	9.2
187.13234	6.3
195.13757	4.2
225.10197	2.8
239.11716	5.1
243.15909	36.2
251.16315	5.7
253.09662	2.4
257.17468	2.0
267.11252	6.3
269.17432	100.0
295.10669	3.7
301.20044	8.3
313.11765	21.1
313.16330	9.1
339.17883	2.1
341.11292	2.7
371.20532	1.9
373.13910	60.3
374.14008	1.7
425.10422	1.7
450.53226	1.5
497.19727	1.9
499.20963	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	498.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.4
57.03429	6.5
57.07065	1.2
57.17756	1.0
59.04969	1.1
61.02907	3.4
64.71251	0.9
67.05138	1.7
67.05493	32.7
69.03406	1.3
69.07040	4.7
70.06586	2.5
70.75843	3.5
71.04984	8.3
73.06516	1.2
79.05477	11.7
81.03397	2.1
81.07043	54.9
83.04964	2.3
83.08596	8.1
85.02885	3.1
85.06551	7.2
91.05463	13.7
93.07033	21.5
95.04940	2.2
95.08604	7.3
97.06513	5.5
97.10141	1.7
99.08057	3.2
105.07017	5.2
107.08593	8.6
109.06513	1.8
109.10143	3.8
110.96017	1.4
111.08044	2.7
117.06993	4.9
119.08566	1.6
121.10134	1.9
123.11687	7.8
123.51356	1.2
131.08553	6.0
133.10110	9.9
135.08017	1.3
135.11671	6.4
149.13254	11.3
149.80841	1.0
151.11147	4.6
157.03394	1.0
159.11681	26.7
161.13246	1.7
168.06528	1.4
169.12177	1.1
177.12715	34.3
178.13049	1.3
179.11774	1.2
179.14322	8.9
187.13324	7.1
195.13757	5.5
208.42046	1.2
213.14868	1.8
225.10120	1.3
239.11739	1.6
243.15892	34.5
251.16393	12.2
257.17300	1.6
267.11243	2.1
269.17438	100.0
270.17740	1.9
294.42194	1.0
301.20084	17.8
303.13373	1.1
304.51901	1.0
313.11801	3.8
316.32065	1.1
341.11313	1.8
366.90860	1.2
373.13889	14.4
378.47113	1.1
401.05219	1.3
445.24274	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	497.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80305	2.0
53.03944	11.5
55.01855	6.1
55.05508	26.8
57.03429	35.6
57.07059	6.7
59.04974	2.4
61.02915	63.3
61.63783	2.4
67.05493	86.0
69.03416	39.2
69.07056	23.9
70.02299	15.7
71.01347	7.8
71.04975	7.9
73.02908	37.3
79.05479	68.6
81.03400	31.7
81.07043	100.0
83.04966	9.7
83.08601	16.9
85.02890	67.3
85.06519	6.0
85.40871	2.4
91.03937	30.3
91.05466	57.6
93.07030	77.9
95.04960	17.4
95.08589	75.4
97.02876	57.2
97.06516	10.9
97.10146	8.6
99.04439	9.1
99.08085	4.7
101.02361	9.8
103.03938	11.2
105.07010	47.7
107.04961	5.8
107.08581	42.1
109.02868	7.5
109.06512	4.0
109.10136	28.4
111.04436	6.3
111.08085	5.1
113.09644	3.2
115.03897	7.0
115.05409	4.3
116.79366	2.5
117.06999	23.8
119.04934	2.9
119.08544	36.7
121.01030	2.5
121.06485	6.5
121.10129	34.2
123.04352	3.5
123.08055	6.4
123.11665	12.8
125.09591	4.0
127.03902	19.0
128.06192	4.4
129.05475	10.3
129.06981	13.6
130.07770	2.5
131.08545	38.9
133.06505	4.5
133.10089	29.2
135.08061	2.4
135.11671	22.6
135.89577	2.4
137.09589	4.6
137.13232	9.3
141.06923	6.4
143.08548	16.1
145.04927	5.0
145.06442	6.1
145.10098	26.5
147.08012	6.8
147.11632	19.3
149.05830	2.4
149.09547	4.7
149.13203	16.6
151.11186	4.1
151.14871	3.8
155.08525	9.8
157.06497	5.5
157.10110	11.9
159.06523	2.3
159.07982	5.0
159.11670	23.3
161.09662	3.8
161.13242	17.7
163.11139	4.8
163.14816	10.5
169.10121	6.0
171.07990	4.9
171.11674	11.1
173.09581	5.4
173.13304	13.2
175.11166	2.9
175.14813	7.2
177.09082	2.2
177.12746	7.4
180.35364	2.2
181.10056	4.1
183.06451	3.3
183.11652	5.5
185.09625	2.6
185.13231	6.8
187.11176	3.5
187.14806	9.5
189.12759	3.3
189.16322	4.6
191.14221	3.4
193.12004	2.8
195.13896	2.5
199.11206	4.4
199.14789	6.1
201.12701	3.6
201.16441	3.9
203.14325	4.1
211.11143	2.9
211.14856	4.7
213.12715	3.0
213.16234	3.9
218.13385	3.0
241.19498	3.3
243.21034	14.9
259.20615	7.5
261.22113	23.5
269.22565	3.6
273.22150	5.8
275.23599	5.7
277.21585	5.8
285.22177	3.4
289.21463	3.6
291.23410	2.9
301.21576	4.3
303.23050	14.1
315.23230	8.1
317.24704	5.8
319.22565	3.1
327.23123	9.0
330.79279	2.6
333.24139	5.6
335.25854	45.5
341.24860	5.0
345.24423	5.0
347.25778	6.7
351.23245	9.4
357.24530	2.8
359.25644	3.6
369.24097	17.6
377.26779	8.1
387.25140	7.2
389.26749	5.7
405.26160	4.1
419.27817	13.1
425.26990	3.7
431.27716	10.0
443.27856	38.1
461.28928	20.5
479.29990	17.8
497.31039	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83629	3.0
53.03933	7.8
55.01859	8.7
55.05506	20.9
57.03426	24.5
57.07058	8.4
61.02912	39.5
65.03918	3.9
67.05496	75.3
69.03420	32.5
69.07054	26.6
70.15983	8.5
70.16384	7.2
71.01345	7.0
71.04968	9.4
71.08623	5.1
73.02908	30.5
75.23122	3.1
76.22289	3.3
79.05480	49.8
81.03432	18.7
81.03809	3.3
81.07043	95.7
83.04956	10.5
83.08595	16.7
85.02892	44.0
85.06519	6.0
91.03944	24.1
91.05460	50.9
93.07027	77.4
95.04961	12.1
95.08584	59.6
97.02872	38.7
97.06516	8.4
97.10186	7.8
99.04455	5.4
101.02397	6.8
103.03917	7.6
105.07010	56.5
107.04926	10.4
107.08570	41.6
109.02865	4.9
109.06509	8.5
109.10162	26.6
111.04435	4.8
111.08029	5.7
115.03934	5.4
117.07010	19.4
119.08573	34.9
120.00256	3.2
121.06486	8.8
121.10104	26.5
122.53435	3.0
123.08014	4.6
123.11691	11.0
125.09559	4.4
127.03870	10.7
128.06198	4.4
129.05469	5.8
129.06958	16.2
131.08545	35.7
133.06468	10.3
133.10107	25.4
135.11684	19.3
137.09612	3.1
137.13194	3.9
141.06949	5.5
143.02814	3.5
143.08597	15.0
145.06473	6.0
145.10088	25.0
147.08047	6.5
147.11623	16.2
149.09584	5.4
149.13254	11.3
151.11154	4.7
151.14726	3.7
153.12781	4.1
155.08516	6.2
157.06462	6.0
157.10117	15.0
159.08018	8.8
159.11725	19.5
159.22156	3.0
161.09624	7.1
161.13251	14.4
163.11279	4.1
163.14799	9.5
167.08607	4.0
169.10101	7.8
171.08020	6.6
171.11694	10.5
173.09509	4.1
173.13220	17.4
175.11252	5.0
175.14813	12.3
177.12804	3.7
178.69566	3.8
183.11552	4.5
185.13222	11.4
187.14771	7.7
189.12796	3.8
197.13298	5.8
199.11099	3.7
199.14748	3.9
201.12695	4.6
203.14214	4.3
209.13327	3.3
211.14841	5.0
213.12698	3.4
215.14124	3.4
223.14848	4.7
243.20990	9.8
259.20547	9.0
261.22083	15.4
273.22073	8.2
277.21732	4.8
279.23227	5.1
291.23193	4.0
301.21805	5.2
303.23065	9.7
317.24710	8.6
327.23013	6.5
333.24017	3.3
335.25681	29.3
341.24731	5.1
345.24191	4.6
351.23221	10.2
363.24933	3.7
365.26746	5.4
369.24304	16.5
377.26923	3.8
387.25171	13.5
389.26862	5.3
405.26523	4.9
419.27811	15.0
425.26819	3.9
431.27814	14.3
443.28006	40.3
461.29028	21.7
479.29883	25.5
497.31000	100.0
498.31598	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.0
55.01860	7.7
55.05500	24.3
57.03156	2.5
57.03424	35.4
57.07063	9.7
61.02612	3.5
61.02914	70.8
61.79354	1.7
65.03914	5.2
66.34133	2.0
67.05138	4.1
67.05491	80.5
69.03420	43.6
69.07059	24.4
70.24226	10.3
71.01328	8.2
71.04977	9.5
71.08614	2.6
73.02521	2.4
73.02903	36.4
77.57649	2.1
79.05016	3.5
79.05476	63.5
81.03402	31.1
81.07042	100.0
82.07348	1.9
83.04952	5.2
83.08612	14.5
85.02890	73.0
85.06516	7.1
87.04442	4.6
91.03944	40.5
91.05460	53.8
93.07027	79.1
93.85562	1.7
95.04959	13.9
95.08588	82.5
97.02874	56.8
97.06477	4.6
97.10139	4.7
98.21383	3.1
99.04428	8.7
99.08067	4.0
101.02361	9.7
103.03915	6.2
105.07007	46.7
107.04935	7.0
107.08575	44.4
109.02850	9.6
109.06509	5.8
109.10143	30.5
111.04437	5.1
111.08074	2.7
115.03906	6.1
115.05435	2.5
117.06989	22.5
119.08553	38.2
120.46502	2.3
121.06482	7.0
121.10127	32.3
123.04385	2.5
123.08054	5.7
123.11675	12.5
125.05936	2.6
125.09604	3.8
127.03884	18.6
128.06229	2.6
129.05470	10.4
129.06950	14.6
131.08540	36.6
133.06454	9.8
133.10109	26.8
135.08008	6.0
135.11664	22.7
137.09627	1.9
137.13211	5.9
141.06964	4.1
142.07719	2.2
143.08519	15.2
145.04942	7.9
145.06497	4.7
145.10109	24.3
147.07993	6.1
147.11647	17.8
149.09615	4.7
149.13231	11.6
155.07156	2.1
155.08543	6.2
157.10098	11.5
159.08008	4.8
159.11685	19.6
161.09633	6.2
161.13210	11.6
163.11139	5.3
163.14771	12.1
165.12721	2.8
167.08569	2.7
169.10062	4.5
171.07965	3.3
171.11688	8.7
171.43713	1.9
173.09598	4.0
173.13194	15.4
175.11139	3.7
175.14769	9.5
177.12703	6.2
177.16365	5.6
179.14340	2.5
181.10059	2.7
183.06473	3.3
183.08028	3.7
183.11691	5.2
185.09586	2.1
185.13202	7.1
187.11205	3.3
187.14763	10.2
189.12711	4.3
191.14314	4.8
197.13193	4.1
199.11171	2.9
199.14761	7.0
201.07475	2.5
201.12877	2.3
201.16406	5.6
205.15848	3.1
209.11650	2.3
213.12636	2.0
213.16327	2.9
217.15948	2.5
217.19652	2.4
221.15196	2.2
227.14467	2.0
237.16476	2.1
239.14070	2.5
241.19502	2.4
243.21040	17.2
255.21130	2.3
259.20554	8.0
261.22058	26.8
261.24313	2.3
273.22144	7.0
275.23657	5.0
277.21628	2.9
279.23160	5.6
285.22092	5.2
287.20117	3.0
287.23340	2.9
288.90955	1.8
289.21423	3.1
291.23303	3.8
297.22092	3.3
299.23615	3.2
301.21561	3.8
303.23102	16.4
309.22037	3.2
315.23193	8.7
317.24762	6.8
319.22647	2.4
323.23724	3.7
327.23117	8.4
333.24231	5.2
335.25717	47.9
339.23178	3.6
341.24628	5.9
345.24228	7.0
347.25824	4.1
351.23276	8.7
363.25351	3.4
365.26395	3.7
369.24182	19.8
375.25290	2.5
377.26794	10.0
387.25015	9.7
389.26776	4.6
401.26917	2.9
405.26248	5.8
419.27841	8.5
425.26959	5.5
431.27707	11.8
443.27820	43.9
461.28864	22.6
462.29544	2.5
470.40744	2.1
479.30060	21.1
497.31000	72.0
498.31378	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	497.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04256	0.5
53.03932	0.8
55.05503	0.7
56.96548	0.7
57.03415	0.7
61.02909	1.2
63.81020	0.5
65.03922	1.1
67.05498	3.3
69.03425	3.2
69.07061	48.4
70.06598	0.7
70.10106	0.5
70.81817	1.8
70.82160	0.5
79.05476	0.8
81.03413	2.0
81.07050	2.6
82.06564	0.7
84.08170	0.6
85.02894	7.6
86.09644	0.7
91.05428	0.8
92.04970	1.2
94.06572	3.3
95.04960	0.9
96.18656	0.5
97.02874	2.3
97.06515	8.2
99.04425	0.7
107.08496	0.6
120.04397	0.6
122.06014	5.9
124.07561	1.5
125.05961	1.0
127.03877	1.5
130.06392	0.8
137.05963	1.9
138.05490	3.6
140.07063	5.1
144.08038	1.1
145.08855	1.8
145.10045	1.0
146.09616	1.7
147.04448	0.6
148.03952	1.1
150.05489	56.2
156.13795	1.0
157.08873	1.2
161.08342	3.6
162.09109	1.9
166.04968	15.1
167.06976	0.8
168.06560	0.9
172.07515	0.9
172.11226	3.2
173.08208	1.2
174.09131	1.3
174.12755	5.2
176.03412	3.5
178.04961	1.5
183.06642	0.6
185.08382	1.0
186.07613	1.1
188.10684	0.8
190.08508	0.8
190.12260	5.3
192.02922	0.8
194.04457	2.2
200.07034	1.1
200.10707	5.9
202.12228	6.0
213.10243	1.3
216.10219	4.1
218.08379	1.1
218.11748	17.7
228.10149	10.5
229.13376	0.8
234.11232	2.4
241.03754	0.8
243.11266	1.4
244.09673	2.1
245.12766	1.1
246.11232	14.4
246.13574	1.1
247.11565	0.9
255.11287	0.7
256.09732	1.7
257.09308	1.3
261.08868	0.8
261.12280	0.9
262.10706	0.8
271.10730	2.6
272.09018	3.4
273.12262	2.7
274.10745	1.7
287.10251	7.3
289.11746	8.2
290.10162	1.4
291.13434	0.7
299.10196	3.9
317.11295	27.1
318.09805	2.0
335.12332	100.0
336.12762	1.7
349.06064	0.7
497.18436	1.8
497.37491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05483	0.6
56.05014	1.1
57.03411	0.5
57.07069	2.8
58.06578	1.0
58.81483	0.4
59.07383	0.3
60.08153	15.6
67.05486	0.7
69.07037	0.4
69.46297	2.0
69.46723	1.1
71.07000	0.4
71.07367	5.7
71.08627	2.1
72.42390	0.3
74.55602	0.3
78.37263	0.3
81.07040	0.8
83.08585	0.6
85.10165	1.3
86.09692	48.6
89.30787	0.3
89.57024	0.3
91.61369	0.3
95.08586	1.2
98.21474	0.6
98.98452	3.4
104.10725	100.0
108.38239	0.4
109.10149	0.7
124.99981	28.0
143.01012	0.5
163.01608	0.4
181.24077	0.3
184.07312	98.9
185.07607	0.8
258.11008	1.4
313.27405	1.9
419.25308	0.5
478.32886	8.7
496.33902	23.9
497.34387	0.9
524.12903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77924	1.2
70.06573	3.1
70.29944	4.5
84.04477	1.4
85.02911	2.1
102.00045	1.3
120.52681	1.2
241.04897	5.3
255.06409	2.6
257.04532	2.5
258.05258	2.0
269.04300	9.0
273.03983	3.5
279.06555	1.7
283.05936	2.9
285.03888	100.0
286.04349	5.0
287.05499	3.1
297.03952	10.1
300.05814	1.3
307.05939	3.0
311.05432	30.4
315.04944	28.4
323.05429	2.1
325.07111	9.3
335.05334	2.3
339.04956	38.9
340.05096	2.7
351.05002	9.7
353.06351	1.8
363.05060	6.1
369.06000	28.9
371.65137	1.3
381.06021	14.7
399.07062	19.9
417.08051	13.7
435.09332	6.0
513.56635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.19602	1.6
55.01868	2.7
55.05493	7.1
57.03419	3.8
57.07074	1.8
61.02909	3.7
65.03952	2.4
67.05490	13.2
69.03422	11.7
69.07052	5.1
70.19657	2.7
70.20059	5.2
71.04990	2.1
73.02895	2.4
79.05485	12.7
81.03423	5.4
81.07046	27.4
83.08610	4.4
85.02892	38.4
85.06524	5.4
87.04472	1.7
91.05457	13.6
93.07032	22.1
95.04965	3.8
95.08588	14.2
97.02872	10.9
97.06499	4.5
97.10160	2.1
97.47974	1.6
99.04428	2.3
99.08102	2.6
105.07014	18.0
107.08582	21.1
109.02859	3.8
109.06493	2.7
109.10139	9.0
111.08068	5.5
117.07012	5.4
119.08572	9.6
119.65838	1.4
121.06470	2.3
121.10115	11.6
123.11687	3.4
125.09628	2.1
127.03910	6.5
127.98167	1.5
129.07010	3.2
131.08533	10.1
133.06537	1.6
133.10089	10.2
135.08026	6.7
135.11650	8.1
137.09589	3.5
141.06984	2.4
143.08546	6.2
145.04913	10.3
145.10063	14.6
147.08054	3.7
147.11659	10.3
149.09602	3.2
149.13263	6.3
151.11281	2.0
155.08533	5.5
157.10101	12.7
159.11653	14.2
161.09537	1.6
161.13197	10.8
163.11131	4.6
163.14856	1.9
169.10092	3.8
171.11688	7.6
173.13232	7.6
175.11125	3.0
175.14844	4.8
177.12682	3.3
181.04971	4.6
181.10112	2.5
183.11708	5.3
185.13243	5.5
187.11212	3.3
187.14803	6.3
189.09143	1.8
189.12675	2.0
195.06523	5.8
195.11707	4.0
197.13278	6.6
198.88045	1.5
199.14851	4.8
201.12788	4.0
201.16414	3.1
203.14278	6.3
209.13228	3.3
211.14833	4.2
215.14264	2.0
217.16072	1.8
223.09639	3.5
223.14799	6.9
237.11163	3.2
237.16431	3.4
239.17979	2.7
241.15959	2.1
253.19337	7.5
255.21027	3.5
279.21027	37.1
279.23993	3.1
297.22095	100.0
310.35541	1.6
315.23120	36.1
315.26599	3.2
319.18958	1.8
441.30109	2.2
459.31259	9.8
477.32535	10.8
495.29010	1.7
495.33316	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.0
55.01853	14.6
55.05510	29.6
57.03429	52.5
57.07062	10.7
61.02920	73.5
65.03932	6.5
67.05492	84.5
67.08907	5.2
69.03416	57.9
69.07067	31.2
71.01326	14.1
71.04975	9.9
72.36687	5.5
73.02905	45.3
79.05489	77.8
81.03411	38.1
81.07049	79.4
83.04974	14.9
83.08613	10.6
85.02892	77.8
85.06514	8.1
91.03948	35.7
91.05470	100.0
93.07037	91.6
95.04947	20.5
95.08595	59.0
97.02885	63.3
97.06530	14.2
97.10160	9.4
99.04443	16.2
101.02347	10.4
103.03947	11.3
103.05480	5.3
105.07011	98.7
107.04958	9.6
107.08582	64.5
109.02867	8.5
109.06493	6.9
109.10143	24.1
111.08083	6.0
115.05456	5.8
117.07011	55.9
119.08573	81.1
121.06485	7.5
121.10133	38.3
123.08082	6.1
123.11691	12.0
127.03913	18.7
128.06203	7.7
129.05486	10.0
129.06979	41.1
131.08542	65.0
133.06522	8.0
133.10123	50.7
135.08041	12.1
135.11671	36.1
137.09602	8.9
141.06976	12.2
142.07750	6.9
143.08592	36.3
145.04918	5.2
145.06474	10.6
145.10104	64.3
147.08084	12.0
147.11667	37.6
149.09586	8.0
149.13248	18.0
155.08556	11.6
157.10115	28.8
159.08037	9.8
159.11673	49.9
161.09587	12.0
161.13216	28.2
163.11166	9.7
167.08546	14.7
169.10159	18.3
171.08043	11.9
171.11658	33.0
173.09569	7.0
173.13272	23.2
175.11205	7.3
175.14771	12.9
181.10201	7.9
183.11725	16.4
185.09576	5.9
185.13266	23.6
187.11243	8.7
187.13167	5.6
187.14841	15.7
189.12759	9.2
190.58275	4.8
191.14371	8.5
195.11636	6.6
197.13202	15.1
199.11256	7.2
199.14847	14.3
201.12622	5.9
211.14690	7.5
213.12776	6.7
221.13438	5.3
241.19510	15.8
253.19377	5.4
257.19006	8.0
259.20560	18.4
269.18744	5.5
271.20520	13.7
275.20013	8.3
283.20590	7.1
289.21729	7.9
295.20584	7.8
299.19870	5.9
301.21558	17.2
307.20660	6.0
311.19870	5.6
313.21512	9.3
315.23138	8.2
321.22168	6.5
325.21558	7.1
331.22684	14.1
333.24207	67.9
339.23160	8.3
343.22546	6.3
345.24469	9.8
349.21332	9.2
361.23633	10.7
363.25266	9.6
367.22672	21.1
375.25439	16.3
385.23615	14.3
387.25165	9.8
403.24597	14.2
417.26349	13.5
429.26434	10.4
441.26434	37.7
459.27457	31.4
477.28366	45.2
495.29489	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.3
55.01857	9.8
55.05500	35.4
57.03421	30.4
57.04007	2.6
57.07056	4.8
61.02916	33.1
65.03925	3.0
67.05495	70.8
69.03413	34.4
69.07061	25.4
71.01333	7.8
71.04966	10.7
71.15719	5.9
73.02898	27.5
75.04463	3.9
79.05475	72.2
81.03407	30.5
81.07041	75.2
83.04978	12.0
83.08604	8.9
85.02892	32.0
85.06537	6.1
87.04491	2.8
91.03937	13.7
91.05464	71.3
91.06041	4.9
93.07024	70.7
95.04967	20.5
95.08591	52.4
97.02880	31.6
97.06521	7.8
97.10162	10.1
99.04432	5.2
99.22513	3.1
101.02383	4.7
103.03932	8.5
103.05418	4.5
105.04547	3.7
105.07008	76.8
107.04948	12.3
107.08576	40.7
109.02859	4.3
109.06496	11.4
109.10146	18.6
111.04414	6.3
111.08047	6.7
115.03907	5.9
115.05448	7.3
117.06997	42.8
119.04919	4.2
119.08557	56.0
121.06499	11.4
121.10136	30.8
123.04414	4.7
123.08030	8.1
125.09665	3.8
127.03893	7.2
128.06213	8.4
129.05489	6.2
129.06976	31.1
131.04962	4.2
131.08540	56.7
132.70779	2.7
133.06496	11.4
133.10104	47.6
135.08051	9.1
135.11652	14.9
137.05957	3.7
137.09619	7.2
141.06935	16.8
142.07788	8.0
143.08534	29.5
145.06459	14.4
145.10091	50.2
147.08043	12.1
147.11668	25.7
149.09604	9.2
149.13269	9.5
153.07045	3.4
155.07376	3.9
155.08531	22.2
157.06512	4.6
157.10121	29.3
159.08025	10.1
159.11679	37.6
161.09621	12.4
161.13155	13.5
163.11179	10.3
163.14742	4.2
165.07040	3.0
167.08588	10.4
168.09296	4.5
169.10094	22.7
170.10851	2.7
171.08022	6.8
171.11659	27.9
173.09639	9.2
173.13211	23.2
175.11200	9.0
175.14821	8.4
177.12874	4.5
179.08569	3.3
180.09245	3.6
181.10161	10.1
181.12160	4.1
183.08133	5.6
183.11617	18.7
185.09625	8.3
185.13206	19.4
185.30122	2.8
187.11227	10.4
187.14842	8.4
189.12852	3.8
191.10725	4.6
193.10121	4.1
193.12201	4.6
195.11757	11.5
197.09662	4.4
197.13266	12.6
199.11252	7.9
199.14880	9.5
207.11784	3.7
209.13329	8.7
211.11267	4.8
211.14906	4.3
213.12759	4.1
221.13347	5.1
223.14851	6.2
227.12680	3.4
233.15483	3.2
239.14484	4.3
241.12164	3.0
241.19543	9.7
257.18951	5.8
259.20428	13.9
269.19098	6.3
271.20544	8.8
277.21765	3.7
283.20657	5.0
285.22116	7.6
287.20059	4.5
289.21634	4.8
297.22159	8.1
299.20108	5.0
301.21671	12.4
307.20389	3.9
311.20145	3.7
313.21628	12.9
319.22586	2.9
325.21719	11.1
330.59183	2.9
331.22791	6.1
333.24249	21.9
337.21439	6.4
339.23053	5.0
343.22693	6.9
345.24506	4.8
349.21729	12.6
357.24463	4.4
361.23935	10.8
363.25351	9.3
367.22647	26.4
375.25241	14.6
385.23630	12.7
387.25354	8.0
399.25015	4.2
403.24881	11.6
405.26212	6.1
411.25330	3.0
417.26212	16.3
429.26376	14.3
441.26294	38.5
459.27274	35.1
477.28311	46.5
495.29565	100.0
496.29794	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	495.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85306	0.3
57.03444	0.3
67.05476	0.5
69.45799	1.3
69.46223	2.0
70.06574	1.2
71.04956	0.6
81.07069	0.3
84.08108	0.7
85.02892	0.7
86.09684	0.5
91.05454	0.5
93.07011	0.5
95.08587	0.3
97.02845	0.3
105.07005	0.4
109.10127	0.4
169.04770	0.7
185.04150	0.5
186.06534	0.7
229.06891	0.4
259.05823	0.4
273.63596	0.3
286.04602	1.7
304.04852	0.5
317.06650	0.4
318.06912	0.5
319.07040	1.4
331.09811	1.6
334.09097	0.5
349.12448	3.8
495.18304	100.0
496.18643	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	495.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.2
69.83620	5.7
69.84042	10.4
70.99824	3.3
96.50163	2.5
97.01398	2.9
97.02881	3.0
98.97564	4.2
101.00867	24.8
113.00867	3.3
115.02400	21.5
116.98632	3.7
117.04007	2.8
119.01901	100.0
119.02755	5.2
126.98798	2.5
128.98532	4.0
129.03934	8.1
131.01852	17.8
133.03458	31.6
135.04921	2.5
136.06146	3.0
137.02937	20.9
143.01901	14.6
144.99794	39.4
145.03429	13.3
147.01385	5.3
147.04990	7.4
149.02916	9.5
151.04510	5.0
157.03477	5.8
159.01363	10.8
161.02937	26.8
163.00850	4.3
163.04431	4.2
168.99799	28.5
169.03435	4.2
169.51582	2.4
171.01373	11.8
172.99290	9.3
173.02963	17.6
175.00867	7.0
175.04417	2.6
177.02412	24.2
181.03607	3.0
183.01318	2.9
183.04980	2.7
185.02931	5.8
187.00850	63.9
187.04486	8.2
189.02415	15.5
191.00322	9.7
191.04008	7.5
194.69899	2.7
195.03438	2.8
196.99283	12.6
199.00786	11.6
199.04422	4.7
201.02377	12.4
205.01929	35.6
207.03467	4.1
210.02422	4.9
212.98799	7.1
213.02415	5.2
214.98364	4.8
215.00340	62.8
217.01888	20.4
219.03435	13.4
221.04984	3.0
223.02939	11.3
226.98332	2.8
227.00320	12.3
229.01866	22.5
230.99866	6.0
231.03439	9.5
233.01408	13.3
238.01814	3.0
240.98383	3.3
242.99870	4.4
243.03281	6.8
245.01398	16.8
247.02969	73.6
251.02411	23.2
254.99869	20.7
258.99280	2.7
259.02927	9.1
265.04056	15.0
268.02673	2.9
270.04486	3.2
271.02881	3.0
273.00851	25.0
274.97745	3.5
275.02405	12.9
277.03946	6.4
282.99466	3.7
285.00809	7.0
287.02457	8.3
289.03970	39.0
289.07629	19.5
291.02185	4.0
301.00302	19.8
303.01859	7.9
305.03412	5.6
307.05011	10.3
307.08517	4.8
315.01941	57.1
316.01639	2.6
317.03482	9.3
319.01379	7.5
332.98975	3.8
333.02945	69.6
334.03296	2.7
343.01477	6.9
345.03021	6.1
347.04608	6.7
356.04376	6.0
359.04437	4.5
361.02408	4.8
367.08215	3.2
375.04056	80.4
376.04504	5.5
386.25452	3.4
393.05078	37.9
405.63416	2.8
421.04565	39.4
435.05267	3.3
439.05829	11.6
453.07095	15.9
495.08408	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	494.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.44780	0.6
55.01871	1.6
55.05509	1.4
57.03410	1.6
57.26350	0.6
60.93667	0.5
61.02884	0.9
64.73540	0.8
65.03920	2.2
67.05495	4.2
69.03413	3.1
69.07062	1.0
70.06572	1.8
70.71198	0.8
71.04983	0.7
71.70013	0.9
71.70453	1.1
79.05498	3.2
81.03414	4.1
81.07034	3.7
82.07370	1.1
83.08602	1.8
84.08154	0.9
85.02885	7.9
85.06554	0.7
86.09657	1.1
87.00813	3.8
91.05463	100.0
92.05796	1.5
93.07022	2.8
95.04926	1.5
95.08588	1.8
96.08866	0.7
97.02866	5.6
97.06516	0.9
97.10152	1.0
99.04460	1.6
105.01852	2.9
105.03383	3.0
105.07006	2.3
107.04984	0.8
107.08536	1.5
109.02859	3.7
109.10135	1.5
110.97847	0.6
111.04401	0.8
117.07022	0.9
119.08578	1.2
120.08018	0.6
121.10130	1.1
123.08089	0.9
127.03893	6.7
129.06981	0.9
131.08580	1.0
133.10098	1.2
134.10454	0.7
135.08147	0.8
135.11679	1.0
136.12013	0.8
145.04947	2.4
145.06361	1.0
145.10088	1.4
147.04300	0.7
149.09674	0.7
151.07538	2.9
153.07042	0.7
159.02869	1.6
159.11703	0.8
165.09123	1.0
165.93370	0.6
178.67039	0.7
179.06992	3.4
195.06499	0.9
211.07524	1.0
217.08620	1.0
231.05110	0.9
235.97899	0.7
249.98135	0.7
271.58353	0.7
340.24405	0.7
375.36978	0.8
437.55557	0.9
494.27914	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	495.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18108	5.5
56.96558	15.7
58.21096	5.1
69.89283	13.6
69.89711	22.4
70.06578	7.9
74.65157	6.6
77.00907	7.8
85.02890	10.0
85.09949	5.6
91.02444	5.2
97.02856	8.9
98.97569	5.6
101.00883	16.1
112.01909	5.0
115.02472	12.7
116.34500	5.6
116.98603	6.3
119.01910	100.0
126.98752	8.4
131.01901	17.6
133.03479	33.9
134.99603	6.4
136.06085	6.8
137.02948	19.6
143.01901	15.9
144.99803	56.5
145.03458	10.8
146.99744	6.4
147.05028	8.7
149.02954	15.5
152.05670	8.8
157.03497	8.8
159.01382	12.8
161.02942	33.8
163.00897	7.8
163.04555	8.0
168.99866	16.6
171.01410	12.6
172.99361	15.5
173.02921	14.9
175.00787	7.5
177.02449	37.2
185.02971	11.7
187.00822	52.1
188.45494	5.2
189.02452	17.0
190.98814	6.1
191.00392	22.8
191.04024	17.0
196.99327	11.6
199.00797	16.1
201.02457	14.0
205.01964	52.7
212.98741	15.8
215.00354	59.3
217.01863	27.3
219.03473	15.5
221.05046	15.5
223.02936	14.7
227.00372	17.1
229.01959	21.1
229.09209	6.7
230.99854	17.3
233.01451	10.5
235.02954	9.2
237.02673	7.3
245.01469	24.1
247.02919	45.2
251.02443	8.7
254.99763	32.7
259.03137	5.8
265.03922	7.2
273.00888	46.1
277.04126	9.4
282.99460	6.9
289.04083	17.3
301.00415	32.8
315.01947	78.1
317.03561	9.6
319.12326	18.9
333.03018	90.9
356.04599	12.4
361.02304	8.1
375.04022	98.1
393.05148	41.8
398.55927	6.8
416.59686	5.7
421.04517	10.9
453.07269	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15296	1.4
53.03933	3.3
55.01863	4.7
55.05505	19.2
55.67685	1.5
57.03427	7.2
59.05005	1.9
59.87708	1.5
60.19297	1.7
65.03912	2.1
67.05138	2.5
67.05495	40.2
69.03423	11.1
69.07061	27.7
70.06573	3.0
71.01305	1.8
71.04969	3.9
71.70136	3.2
73.02899	2.3
79.05482	28.2
81.03408	25.4
81.07046	44.2
82.93517	1.5
83.01333	2.0
83.04961	9.3
83.08607	10.8
84.08158	1.5
85.02904	5.3
85.06544	4.0
91.05464	30.6
93.07029	28.6
95.04958	16.0
95.08589	23.2
97.02885	6.3
97.06502	5.2
97.10136	6.8
99.00799	6.5
99.04417	6.2
99.08089	2.9
103.04016	2.0
103.05431	2.4
105.07020	19.3
106.22337	1.8
107.04951	8.0
107.08582	19.3
109.02856	4.7
109.06499	6.9
109.10147	14.5
111.04417	4.7
111.08063	5.0
113.02396	1.6
115.05428	1.9
117.06999	12.4
119.08569	18.1
121.06490	4.6
121.10145	12.3
123.11654	5.3
125.05959	2.4
125.09585	3.5
127.03913	3.3
128.06224	2.0
129.06956	10.1
131.08545	12.8
133.06503	4.8
133.10085	11.5
135.04362	1.8
135.08063	5.0
135.11636	13.0
137.05959	5.1
137.09605	2.9
141.06995	1.6
142.07735	3.4
143.08556	6.5
145.06461	4.5
145.10089	12.8
147.04576	1.7
147.08080	2.9
147.11705	8.2
149.09587	4.7
149.13261	3.6
151.07510	4.5
153.05412	3.0
153.12750	2.1
155.08540	2.2
157.06549	2.3
157.10146	8.9
159.08005	3.8
159.11627	7.6
161.05933	2.5
161.09615	4.4
161.13304	2.4
163.07515	3.8
163.11108	9.5
165.09106	8.7
169.10159	3.1
171.08049	1.7
171.11687	3.9
173.09590	2.4
173.13324	3.2
175.07565	3.5
175.11169	3.9
177.05440	2.7
177.09087	2.6
181.04984	7.4
181.10129	2.6
181.12134	2.6
183.06561	5.3
183.11641	2.3
185.09666	2.2
185.13255	2.7
189.09114	5.5
189.11273	2.5
191.10645	6.4
193.12231	5.4
195.06488	25.0
195.11824	2.1
203.10754	2.9
205.12292	1.9
209.08031	8.0
209.11678	4.9
211.13254	2.2
213.12802	2.5
221.08018	4.3
223.09616	13.0
227.12772	9.5
231.13786	2.4
235.09642	3.3
237.11185	9.0
249.11227	4.8
251.12704	3.8
257.19006	3.0
267.15915	2.4
275.20038	5.3
283.15338	2.8
291.15732	2.6
292.12421	6.5
292.62558	2.4
293.12830	1.7
305.17462	5.3
307.19025	2.7
315.15781	2.3
319.19055	5.8
325.50717	1.9
333.17001	3.9
355.22827	2.0
373.23544	2.1
383.22290	3.3
401.22983	4.1
475.31183	15.7
493.32111	100.0
494.31967	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	493.2787
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.00305	6.8
53.03933	7.9
55.01860	6.4
55.05497	35.1
57.03421	8.3
57.07051	3.0
59.04974	1.8
60.78546	1.5
62.66774	1.3
65.03922	3.7
67.05489	75.0
69.03408	4.1
69.07049	22.1
71.01334	3.3
71.04974	6.6
71.08569	2.0
71.70807	2.7
73.02905	2.7
79.05474	49.2
81.03395	12.3
81.07036	100.0
83.04950	10.6
83.08180	1.6
83.08607	23.9
84.10509	1.5
85.02862	3.5
85.06525	5.2
85.18306	1.2
87.04466	1.4
91.05456	55.3
91.06026	2.7
92.05821	1.4
93.07021	72.8
94.07354	1.8
95.04942	15.3
95.08585	30.3
97.02885	7.5
97.06501	13.1
97.10152	3.8
99.00800	18.5
99.04386	2.3
99.08070	3.6
103.05444	4.0
105.06343	2.4
105.07009	38.7
107.04935	7.5
107.08568	38.0
109.02845	10.7
109.06488	6.3
109.10133	11.2
111.04431	2.4
111.08061	11.4
114.73918	1.7
115.03920	2.5
117.06989	12.3
117.30675	1.2
119.08537	13.7
121.06493	10.1
121.10108	17.4
123.04465	1.6
123.08015	2.1
123.11671	3.8
125.09570	2.1
127.03848	4.6
128.06163	3.0
129.07010	3.1
131.08539	13.0
133.06445	3.3
133.10098	50.6
134.66190	1.4
135.08011	4.4
135.11671	11.7
137.05916	3.0
137.09549	2.3
139.07535	3.7
139.11165	2.1
143.08514	8.8
145.06395	1.7
145.10060	4.6
147.04362	2.1
147.11655	3.3
149.09569	2.3
149.13232	30.4
151.11147	13.8
155.08496	1.9
157.10110	1.5
159.11650	15.2
161.09596	20.6
163.11168	3.8
171.08025	4.8
177.12682	5.9
179.10638	14.7
181.12144	1.8
183.11606	1.7
189.09084	12.0
189.10783	1.9
193.12323	1.8
195.13780	15.1
197.11691	7.5
207.10150	4.6
213.14697	2.0
225.09192	2.3
225.11214	22.3
227.12711	4.2
243.12234	2.6
269.17105	1.4
275.19983	1.7
281.13818	4.4
369.24072	1.9
487.07870	1.6
493.27740	84.9
494.28134	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	493.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01863	4.0
55.05505	4.1
57.03422	5.6
61.02914	4.9
63.12148	1.2
67.05502	10.0
69.03419	18.5
69.07047	3.7
70.23180	5.7
70.27055	1.3
71.01305	1.3
71.04980	3.1
73.02916	2.8
79.05472	15.7
81.03407	12.7
81.07047	13.3
81.77461	1.1
83.04958	8.0
83.08593	2.9
85.02892	41.0
85.06538	1.1
87.04450	4.2
91.05468	8.7
93.07033	8.3
95.04960	6.1
95.08592	4.8
97.02876	15.5
97.06516	79.9
99.04437	3.0
101.05974	1.0
103.05471	1.5
105.07015	10.5
107.04956	3.2
107.08578	8.1
109.02866	4.7
109.06503	61.4
109.10143	4.8
111.04418	2.2
111.08046	1.6
111.70443	1.3
117.07014	3.5
119.08521	6.2
121.06485	3.6
121.10140	4.8
123.08067	8.5
125.09594	2.4
127.03899	10.9
129.06978	2.6
131.08563	6.3
133.10075	6.8
135.11667	4.4
143.08566	2.6
145.04968	8.0
145.10088	5.6
147.11673	3.7
149.09627	3.1
149.13226	1.8
155.08510	1.5
157.10123	4.8
159.11647	4.4
161.09576	1.6
161.13193	1.8
163.11151	5.9
167.07004	3.6
169.10045	1.7
171.11661	5.1
173.09680	1.6
173.13303	1.9
175.11136	1.7
175.14804	1.9
177.12811	1.2
181.12230	1.4
183.11696	2.9
185.13263	2.3
187.14774	1.4
191.10588	2.0
195.11687	2.8
199.14819	1.8
209.11717	1.9
225.05595	1.3
237.16362	1.8
239.14328	1.4
245.18901	1.8
253.19604	2.8
255.17467	2.6
267.20947	1.6
271.20618	3.9
277.19330	1.6
283.15387	2.4
283.20624	2.6
295.20395	8.9
313.21594	21.2
331.22635	100.0
332.22964	3.1
383.21960	1.7
402.30811	1.2
493.27783	22.3
512.15216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52070	2.5
53.03929	11.7
55.01856	12.4
55.05500	34.5
57.03424	37.3
58.37309	2.4
61.02907	4.2
65.03917	4.9
67.05491	69.0
69.03091	3.5
69.03418	42.5
69.07055	33.3
69.40008	7.2
69.40421	21.9
71.01318	4.6
71.04969	10.6
73.02885	8.8
79.05017	4.6
79.05477	76.1
81.03403	59.9
81.07043	98.4
83.04961	22.6
83.08607	22.7
85.02884	26.1
85.06516	6.3
85.55469	2.3
86.00331	3.1
91.04915	5.1
91.05461	83.8
93.07025	73.7
95.04960	24.4
95.08584	46.9
97.02879	28.0
97.06528	16.6
97.10159	9.0
99.00780	4.2
99.04427	9.9
99.08074	3.1
101.02378	3.9
103.03909	7.9
103.05428	6.6
105.07011	74.5
107.04897	13.7
107.08569	42.0
109.02845	15.4
109.06496	12.0
109.10155	20.1
111.04426	10.7
111.08047	8.7
113.05919	3.4
115.03909	4.3
115.05399	7.0
117.07007	34.4
119.04954	5.0
119.08556	57.6
119.19821	2.7
121.06475	9.6
121.10112	31.6
123.04404	3.5
123.08046	9.6
123.11679	7.8
125.02310	6.7
125.09600	7.8
127.03882	17.5
128.06169	6.8
129.05472	6.6
129.06982	24.3
130.07724	4.6
131.04964	4.2
131.08540	46.8
133.06450	8.7
133.10104	45.4
135.04459	4.2
135.08005	11.4
135.11678	16.7
137.06024	3.0
137.09583	8.3
138.92599	3.2
141.06944	12.1
142.07797	5.7
143.08545	20.3
145.06468	8.4
145.10095	42.0
147.08023	11.0
147.11647	22.3
149.05914	3.4
149.09618	11.9
149.13243	9.9
151.11189	7.9
153.06934	3.5
155.08508	20.7
157.06448	4.9
157.10100	24.0
159.08022	9.4
159.11655	32.2
161.09602	10.8
161.13228	7.6
163.07582	2.6
163.11142	13.1
165.05501	3.6
165.12726	3.0
167.08557	6.1
169.10114	17.6
171.07935	6.1
171.11694	17.9
173.04547	4.4
173.09608	10.3
173.13222	13.5
175.11122	6.9
177.12718	4.1
179.08493	2.8
179.10655	5.0
181.10092	8.0
181.12151	3.9
183.06444	5.4
183.08023	5.0
183.11674	16.8
185.09610	7.0
185.13226	8.2
187.11194	9.1
187.14722	3.4
189.09000	5.1
189.11150	3.7
189.12694	3.8
190.73314	2.9
193.12193	6.2
195.08038	3.3
195.11671	6.4
195.13736	4.0
197.09648	6.0
197.13229	6.2
199.11172	5.9
201.07530	6.1
201.12737	4.1
207.11755	3.8
209.11491	3.5
209.13286	3.7
211.11211	5.3
213.12704	2.5
215.10623	3.2
215.14264	5.2
219.09982	2.7
223.11115	3.1
225.11130	4.3
227.12663	8.3
237.12640	3.1
239.17906	5.0
257.18964	14.8
268.76758	2.9
273.15225	2.5
273.18344	5.4
275.20026	35.9
293.21057	4.0
299.19922	5.7
311.20038	5.0
313.21567	6.3
319.19635	3.4
329.21106	3.3
331.22717	13.3
337.21570	3.4
341.21109	4.5
349.23743	9.3
355.22595	4.1
365.20905	10.3
373.23776	9.5
383.22009	8.8
389.22894	3.3
401.23331	13.4
403.24796	5.3
415.24588	6.3
419.23984	3.6
439.24576	4.9
457.25656	8.6
475.26730	22.7
493.27841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.4
55.01861	18.6
55.05501	38.5
57.03426	39.1
57.07067	3.1
61.02905	6.3
62.00364	3.1
65.03938	3.9
67.05499	60.3
69.03423	35.2
69.07053	29.7
71.01361	8.1
71.04986	13.1
73.02905	8.3
77.18362	3.1
79.05479	76.6
81.03407	50.5
81.07041	81.3
83.04976	23.1
83.08601	17.5
85.02897	23.6
85.03313	3.6
85.06528	7.4
91.03938	4.0
91.05472	83.3
93.07030	68.2
95.04958	31.3
95.08594	56.6
95.72584	3.4
97.02885	29.2
97.06537	11.8
97.10161	7.6
99.04434	10.4
101.02365	5.7
103.03954	8.3
105.07017	66.7
107.04939	13.8
107.08572	45.1
109.02867	12.6
109.06498	15.6
109.10172	15.9
111.04445	7.7
111.08104	5.7
115.05427	5.4
117.06999	44.0
119.08558	51.6
121.06504	12.9
121.10127	24.2
123.08058	14.7
125.09640	9.3
127.03936	16.2
128.06227	11.5
129.05484	4.7
129.06990	32.7
130.07808	4.3
131.04922	3.3
131.08551	50.7
133.06479	12.2
133.10086	34.7
135.08040	9.4
135.11690	30.5
137.05931	5.0
137.09583	5.2
141.06993	11.8
142.07767	7.1
143.08519	31.1
145.06465	12.0
145.10095	44.6
147.07996	9.5
147.11658	18.8
149.09592	12.0
149.13274	4.8
151.07497	4.3
153.06905	3.4
155.08546	19.9
157.06519	7.1
157.10091	27.2
159.08057	13.3
159.11690	26.4
161.06017	4.1
161.09618	10.7
161.13260	5.8
163.11157	25.1
165.07001	5.7
165.09193	4.4
166.07745	4.8
167.08459	6.3
169.10115	17.6
171.08093	14.0
171.10416	4.5
171.11650	21.9
173.09616	11.6
173.13246	10.2
175.11243	8.1
179.08592	4.5
181.10068	10.4
181.12302	5.4
183.08040	4.8
183.11719	17.6
185.09622	10.6
185.13219	12.9
187.11118	7.9
187.14748	4.8
189.11220	5.0
189.12755	4.5
193.10179	5.1
193.12250	9.2
195.11742	6.8
195.13728	4.7
197.09586	11.8
197.13258	11.3
199.11174	8.4
199.14790	5.2
201.12630	4.4
203.14331	4.4
207.11694	4.7
209.13327	6.0
211.11353	3.8
211.13225	9.3
211.14970	4.8
213.12766	4.2
215.14363	5.1
227.10635	5.5
227.12714	41.0
239.17912	3.7
257.19016	13.4
275.20050	13.8
287.20142	5.2
293.13171	4.1
293.21490	4.8
297.18478	6.7
309.18439	8.1
311.19949	7.2
313.21552	5.3
315.19916	4.7
317.20996	3.9
323.19955	5.0
327.19653	7.6
331.22531	7.2
337.21814	4.0
349.23624	5.4
365.21280	8.3
373.23679	9.2
383.22028	12.5
385.23926	6.6
401.23120	15.3
415.24792	5.9
419.24158	5.6
439.24658	7.5
457.25751	13.4
462.46155	3.5
475.26794	25.0
493.27856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41295	0.3
56.05022	2.5
57.07047	1.3
60.08154	15.4
60.21696	0.4
69.45096	0.3
69.72709	3.1
70.06582	0.5
71.07359	13.8
71.08620	0.5
78.15723	0.4
85.10153	0.4
86.09692	67.5
98.97808	0.7
98.98454	11.5
104.10720	2.5
111.57068	0.3
116.99488	0.4
124.99984	64.0
139.14664	0.3
143.00993	0.6
149.74170	0.4
167.91782	0.3
172.00893	0.3
184.07323	21.2
273.11169	0.4
374.68747	0.4
383.03580	0.4
424.55536	0.3
492.41696	100.0
493.42065	2.3
517.55920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01847	1.1
55.05507	3.6
56.27179	0.5
57.03407	1.0
64.68236	0.6
67.05154	0.9
67.05492	8.4
69.03409	1.0
69.07050	1.7
70.06567	0.9
71.04969	1.5
71.70095	1.0
79.05477	4.9
81.03395	1.5
81.07040	7.9
83.04954	1.1
83.08595	2.1
85.02882	0.8
85.06543	0.9
91.05442	5.9
93.07021	4.3
95.04937	1.7
95.08587	5.5
97.02877	1.1
97.06514	0.7
97.10136	1.7
101.24676	0.6
103.05418	0.7
105.07008	3.3
107.04941	3.6
107.08566	3.4
109.06503	1.7
109.10134	7.3
109.28658	0.6
111.04356	0.7
111.08102	1.0
117.06995	1.1
119.08553	5.3
121.06476	2.4
121.10126	2.3
122.03181	0.7
122.07249	2.0
123.08017	0.9
123.11677	7.8
125.09615	1.6
129.07013	1.5
131.08548	2.1
133.10077	1.6
135.08049	0.8
135.11705	1.0
137.05890	0.8
137.09587	13.4
143.08539	1.3
145.06415	0.7
145.10129	2.0
147.11783	0.7
149.09575	0.8
149.13232	1.5
153.09091	0.6
155.10643	0.8
157.10072	0.8
159.07997	0.8
159.11632	1.1
161.09608	0.7
163.11166	0.9
165.09088	100.0
166.09430	0.6
167.07135	0.7
171.11778	0.6
173.09679	0.7
173.13211	0.9
183.10152	1.1
189.11140	1.0
189.12685	0.7
201.11217	1.7
201.12854	0.8
219.13759	1.3
227.12704	0.8
261.46716	0.7
275.20044	0.6
339.25287	1.9
367.22925	0.9
385.23502	1.7
399.21182	0.9
403.25003	0.7
455.24411	0.7
459.27524	3.5
489.94315	0.6
491.30707	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	490.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01860	0.6
55.05502	1.1
57.03425	10.6
59.04985	0.9
61.02908	1.1
69.03419	1.9
70.25748	1.8
70.26160	0.8
70.41579	0.6
71.04979	80.1
73.02908	1.9
75.04459	4.7
81.03400	0.7
83.04967	5.6
85.02888	100.0
87.04449	2.3
97.02863	3.6
98.20715	0.6
99.04453	1.9
101.06017	0.8
103.03943	0.6
105.07023	2.4
110.06010	0.6
111.04416	4.2
121.19725	0.4
124.05199	2.7
127.03895	3.8
129.05455	43.2
133.06438	1.8
137.05931	3.1
137.98204	0.5
145.04903	2.8
146.08031	1.4
147.06499	19.0
162.07591	0.8
163.05986	0.5
164.09166	5.3
165.09090	9.1
180.08636	0.9
189.09079	0.7
228.22424	0.5
237.07504	0.5
249.14796	0.5
255.08578	0.9
306.69431	0.5
490.26596	1.3
500.63541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1542
Annotation	3',4',7-Tri-O-methylisoorientin
Peak:m/z	Relative Intensity
52.14302	0.9
55.01860	1.5
55.05494	2.9
56.05014	1.2
57.03420	2.3
61.02919	1.1
67.05488	4.4
68.11090	1.0
69.03407	2.7
69.07042	4.4
70.06284	4.2
70.89185	0.9
71.05003	1.2
79.05492	3.1
81.03405	3.2
81.07037	6.9
83.04942	1.5
83.08595	3.1
85.02906	5.1
89.02724	1.0
91.05466	4.7
93.07018	4.8
95.04965	2.3
95.08597	6.7
97.02877	2.2
97.10135	2.1
103.03921	1.8
105.07022	2.8
107.04927	2.7
107.08585	2.2
108.16596	1.0
109.02834	1.8
109.06520	1.4
109.10143	5.7
111.08051	1.1
117.06960	1.3
119.08572	3.0
121.02832	1.3
121.06523	1.4
121.10140	3.2
123.08072	1.6
123.11726	2.0
125.09642	2.2
128.04361	1.0
129.53848	1.0
131.08514	2.9
133.06532	1.0
133.10100	1.4
137.05986	2.6
145.10051	1.2
147.11621	1.2
149.13219	2.4
151.07480	1.3
153.12793	1.1
161.05977	1.7
165.09091	2.9
171.11626	1.1
175.07494	1.2
197.05867	1.5
205.19516	1.0
227.07104	1.0
227.12656	1.1
229.04875	1.6
230.05663	1.4
231.02946	2.8
241.04883	4.9
245.04424	1.5
255.06653	5.1
257.04355	14.2
258.05264	5.3
259.05930	3.7
265.05026	1.7
266.05875	1.3
267.11871	1.3
268.48706	1.1
269.04364	7.5
271.05945	1.6
272.03152	1.7
273.03864	6.6
279.06525	2.3
281.04376	3.9
282.05157	2.4
283.02798	1.7
283.05951	14.8
285.03903	28.0
286.04688	21.9
287.05432	19.0
293.28342	1.4
294.05154	3.0
295.06006	4.8
295.09286	1.3
297.03894	8.9
297.07547	3.5
299.05399	8.0
303.05084	1.3
307.05856	4.0
308.06616	2.5
309.03955	2.1
310.04742	4.2
311.01895	0.8
311.05429	21.9
312.05896	1.3
313.06818	1.3
315.04938	54.2
316.05228	1.3
323.05399	6.5
323.08667	1.9
324.06244	1.1
325.03549	1.9
325.07047	15.0
325.10675	1.6
327.05005	1.9
329.06506	3.9
329.10144	3.8
335.05566	4.0
339.04956	18.1
341.10135	100.0
342.10416	2.5
349.10855	1.3
351.04907	12.1
353.06430	6.4
353.09839	5.7
363.04877	3.1
364.05582	1.3
365.10391	2.1
367.11896	6.8
371.11200	58.5
372.11661	1.8
379.11807	1.5
381.06006	9.1
381.13370	5.9
391.11459	1.3
395.11203	61.3
396.11456	3.0
407.11163	18.8
409.12671	2.6
419.11191	13.4
425.12201	15.4
437.12332	30.0
455.13293	41.8
473.14401	19.3
491.31174	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	489.3566
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.45031	1.0
53.03924	3.5
55.01858	1.4
55.05501	18.2
57.03416	3.8
57.07063	2.0
58.51032	1.0
59.04996	2.6
65.03935	2.6
67.05494	80.3
69.03410	1.3
69.07054	11.9
69.72090	2.9
69.72512	6.2
70.58813	1.0
71.04979	3.0
79.05482	32.9
81.07045	39.9
83.04958	1.6
83.08611	9.4
85.06512	1.9
91.05462	27.5
93.07034	33.0
95.04943	3.7
95.08594	25.4
97.06530	2.0
97.10167	5.3
99.08052	1.2
105.07006	22.4
107.08578	20.7
109.06510	1.3
109.10137	43.3
111.08067	3.1
115.05412	1.2
117.07008	6.9
119.08561	25.5
121.10120	15.7
123.08023	2.6
125.09600	2.3
129.07028	2.8
131.08537	15.5
133.10115	17.2
135.11649	10.1
137.09584	4.0
139.11119	1.7
141.06949	1.8
143.08585	4.0
145.10078	12.2
146.86215	1.2
147.11664	10.6
149.13240	5.5
155.08519	2.4
157.10146	6.3
159.11636	9.2
161.13319	5.3
163.14749	1.7
169.10057	2.5
171.11693	5.1
173.11731	10.5
173.13258	8.1
175.14842	2.4
183.11700	3.3
185.13261	4.6
187.14828	3.5
189.16373	1.2
197.13245	1.8
199.14824	2.4
201.16347	1.3
211.14836	1.9
213.14769	1.5
213.16490	1.3
225.16386	1.4
229.14281	1.2
241.19550	1.2
259.20477	1.8
261.22101	4.3
267.51376	1.2
281.65759	1.2
285.22165	1.3
299.23611	1.5
302.00562	1.2
303.23117	1.5
317.24768	2.5
377.26752	1.7
379.29691	8.5
397.30933	11.5
415.32043	4.2
433.33020	1.9
462.31384	1.4
471.34583	12.0
489.35733	100.0
490.35965	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03928	3.6
55.01855	2.1
55.05502	20.3
57.03421	4.3
57.07051	2.3
57.33693	0.9
59.04980	3.5
61.90483	0.9
65.03918	3.3
67.05492	87.8
67.86826	0.8
69.07054	14.9
71.04974	3.2
77.03903	1.7
79.05482	33.8
81.03423	1.1
81.07043	42.8
82.07403	1.0
83.04974	2.7
83.08601	10.5
85.06516	2.7
91.05463	23.6
93.07030	40.4
95.04942	4.5
95.08588	30.2
97.06503	4.2
97.10153	4.9
99.08036	1.3
103.05460	1.4
105.07014	26.5
107.08580	22.5
109.06490	1.8
109.10137	51.4
111.08087	3.0
117.06974	8.4
119.08554	30.7
119.09404	1.8
121.10114	18.4
123.08055	1.3
123.11697	3.0
125.09607	1.9
128.06206	1.2
129.06981	4.9
131.08553	17.8
133.10104	19.2
135.11682	10.8
137.09586	2.8
139.11206	2.2
141.06949	1.1
143.08545	6.6
145.10098	16.3
147.11681	12.4
149.09558	1.2
149.13203	5.1
155.08545	3.0
155.10649	2.6
157.10107	5.8
159.11658	10.8
161.13197	7.1
163.14787	1.9
169.10126	3.3
171.11610	4.5
173.11725	14.5
173.13263	7.2
175.14806	2.8
181.10205	1.5
183.11690	3.6
185.13248	5.4
187.14813	4.0
189.16444	1.2
197.13258	2.7
199.14777	3.6
201.16365	2.0
202.00011	1.0
203.17850	1.4
211.14839	2.3
213.16487	2.0
225.16396	1.3
239.18022	1.5
243.21153	2.0
255.21014	1.7
255.23576	1.3
257.18732	1.1
259.20621	2.0
261.22110	4.4
271.20523	1.0
273.22144	1.1
277.21716	1.1
285.22031	2.5
297.22208	1.6
299.23593	1.8
363.25226	1.4
377.26569	1.3
379.29828	9.2
397.30991	14.9
415.32056	4.4
433.33234	2.3
471.34824	12.1
489.35712	100.0
490.36063	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	489.3564
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03943	2.5
55.01867	1.7
55.05497	19.5
57.03422	4.1
57.07063	4.0
58.52093	1.2
59.04985	2.3
65.03943	2.7
67.05491	56.9
69.07053	13.1
71.04984	3.9
79.05476	32.6
80.48079	1.0
81.07038	45.7
83.04958	2.7
83.08613	8.6
85.06535	1.9
85.60271	1.2
91.05458	24.2
93.07021	32.9
95.04947	4.4
95.08582	30.3
97.06537	4.4
97.10165	5.6
97.97642	1.3
98.21469	2.7
105.07012	26.5
106.81978	1.2
107.08569	18.5
109.06480	3.1
109.10130	33.2
111.08088	2.9
112.74314	1.3
117.07003	9.1
119.08556	32.8
121.10121	16.4
123.08083	2.7
123.11708	3.2
125.09624	2.6
129.07013	4.9
130.07761	1.5
131.08539	20.4
133.10089	20.0
135.08162	1.3
135.11665	11.2
137.09573	1.7
139.11180	2.5
141.07025	1.6
143.08501	7.4
145.10086	18.2
147.11652	14.3
149.13248	5.9
155.08582	2.8
157.10069	7.5
159.11676	12.5
161.13248	9.4
163.14809	1.7
169.10149	4.2
171.11725	6.6
173.11737	7.2
173.13278	10.6
175.14842	2.8
183.11703	4.4
185.13176	6.0
187.14822	6.3
197.13235	2.7
199.14865	4.1
201.16399	3.5
202.02148	1.4
211.14737	1.6
213.14763	1.8
225.16463	1.4
227.18050	1.8
239.17990	2.3
241.19609	1.8
259.20612	1.9
261.22147	4.6
271.20633	2.4
273.22131	2.4
275.20126	6.1
277.21558	1.4
285.22113	2.9
293.21146	2.0
299.23947	1.8
303.23422	1.6
317.24841	2.2
347.92935	1.3
377.26883	3.6
379.29813	12.4
391.28403	1.3
397.30948	17.7
415.32098	5.8
418.86914	1.4
433.33212	2.5
453.33679	2.2
471.34583	17.3
483.47699	1.3
489.35785	100.0
490.36066	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01860	2.4
55.05504	18.6
57.03436	5.0
57.07055	2.2
57.99686	0.9
59.04994	1.7
61.73565	0.9
65.03928	3.3
67.05493	81.8
69.03407	1.3
69.07053	14.5
70.06860	6.5
71.04971	3.7
72.51587	1.0
79.05482	30.9
81.07042	40.5
83.04980	2.0
83.08607	8.8
85.01880	1.1
85.06538	3.2
91.05461	26.1
93.07028	34.5
95.04943	5.5
95.08593	28.1
97.06513	3.9
97.10152	4.5
99.08080	1.7
103.05402	1.5
104.67701	1.2
105.04591	1.0
105.07014	24.6
107.04949	1.2
107.08584	21.4
109.06512	2.1
109.10135	41.9
110.10500	1.2
111.08083	2.0
117.06986	11.2
119.08567	29.1
121.10121	14.6
123.11698	2.4
125.09641	1.5
129.06956	6.1
131.08549	15.8
133.10118	17.6
135.08038	1.1
135.11693	6.7
137.09593	2.0
137.13168	1.1
139.11168	1.9
141.06993	1.6
143.08537	6.8
145.10107	16.4
147.08044	1.2
147.11653	12.6
149.09627	1.6
149.13226	5.9
155.08572	2.3
155.10640	1.3
157.10107	4.7
159.11673	12.0
161.13261	5.7
163.11008	1.3
163.14806	2.0
169.10121	2.1
170.46854	1.1
171.11632	5.4
173.11720	14.7
173.13251	7.0
175.14838	2.4
177.12643	1.3
182.15854	1.1
183.11697	3.0
185.13187	6.2
187.14888	5.3
188.43329	1.1
197.13269	1.7
199.14841	2.9
201.16486	1.6
211.14835	2.2
213.14752	2.0
213.16551	1.4
225.16393	2.2
227.17848	1.3
231.17503	1.2
239.17998	1.4
241.19521	1.3
242.60426	1.0
253.19551	1.5
255.21231	1.8
259.20370	2.6
261.22137	4.9
273.22226	1.3
285.22043	1.9
299.23795	2.0
301.21823	1.3
303.22632	1.2
309.66296	1.1
377.26907	3.3
379.29880	9.1
391.28629	2.2
397.30917	14.2
415.32126	3.9
433.33215	2.4
471.34671	13.0
489.35736	100.0
490.36102	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	489.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.0
55.05493	5.7
65.03927	5.9
66.70795	2.4
67.05501	6.1
68.99759	2.6
69.03427	3.9
69.07042	5.9
69.52395	19.9
69.52801	3.2
79.05466	9.5
81.03391	9.0
81.07047	15.3
83.01318	2.6
83.04945	4.6
84.33951	2.1
85.02894	18.3
91.05455	11.1
93.03391	10.3
93.07030	8.8
93.94118	2.1
95.04939	8.4
95.08578	10.4
95.39502	2.4
97.02877	5.5
100.81851	2.3
103.03889	3.5
103.05407	2.3
103.69695	2.2
105.03401	3.0
105.06984	6.8
107.01210	3.2
107.04939	26.0
107.08588	4.6
109.02858	16.7
109.06462	3.6
109.10165	4.0
111.04408	11.1
117.07012	3.8
119.04923	7.7
119.08564	2.8
120.17280	2.3
121.02850	100.0
121.03763	5.1
121.06477	24.4
123.04417	5.5
123.08038	6.6
127.03850	2.6
129.06995	2.6
131.04869	4.9
131.08504	5.0
133.02838	3.7
133.06459	4.8
133.10129	3.7
135.04379	11.3
135.07974	2.8
137.02280	2.7
137.05954	5.4
139.03874	5.8
145.06445	4.8
146.60626	2.2
147.04391	11.8
147.08076	4.5
149.02254	3.1
149.05920	7.4
149.09607	7.2
151.03819	4.1
157.06345	2.6
159.04391	6.8
159.08051	4.1
161.02382	4.9
161.05949	4.3
161.09644	2.8
163.07553	2.9
165.01784	9.8
165.09026	3.9
165.12555	2.2
167.07047	3.0
171.08006	2.6
173.06013	4.8
175.03943	3.8
177.01807	21.2
177.05466	5.6
179.03360	3.6
181.04953	3.8
183.02895	4.6
187.03865	4.4
189.01787	19.6
189.05486	4.7
189.09067	3.4
191.03378	7.2
191.07007	3.9
195.02844	48.7
201.01738	6.0
201.05486	3.3
201.47705	2.6
203.03336	33.4
203.10641	2.6
205.04872	5.2
207.02861	49.1
207.06442	2.6
209.04436	7.1
213.05414	3.4
215.03351	10.2
215.57909	2.3
217.04915	7.2
219.02882	11.5
219.06517	8.8
219.10042	2.6
221.04417	30.1
225.03831	21.5
227.03445	4.4
229.04926	8.0
231.02838	22.9
231.06467	5.2
233.04390	15.4
233.08063	10.8
235.02605	2.7
235.05930	6.7
237.07544	4.3
243.02878	30.3
243.06482	11.2
245.04459	5.0
245.08034	36.9
249.03912	14.2
251.05472	6.8
255.02821	12.5
257.04422	8.3
257.08063	20.2
261.03925	8.6
261.07568	6.1
263.09143	23.5
269.04431	5.2
271.05994	4.2
271.09705	6.0
273.03940	11.2
273.07437	7.7
275.05508	12.3
275.09088	62.9
283.05887	3.3
285.07541	6.2
285.10974	3.3
291.04889	6.2
297.07523	8.4
299.09067	36.4
303.08459	3.9
311.09048	13.9
313.10660	7.6
315.08670	5.9
317.06561	5.7
317.10153	7.1
323.09128	6.8
327.08450	6.8
327.12241	7.4
329.10168	9.0
335.07562	3.8
339.12189	47.7
341.10095	23.6
351.08472	10.6
351.12198	34.5
359.11142	12.0
367.11774	5.6
369.13287	40.1
375.08624	3.6
377.12314	6.7
381.09412	12.8
393.13379	73.0
397.12726	3.0
404.28973	3.0
405.13266	47.8
411.10699	12.7
417.13339	18.8
423.14313	6.3
427.13397	3.2
429.11801	33.7
435.14258	31.7
445.14856	10.7
453.15332	25.8
457.90366	2.5
471.16425	30.6
489.17407	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	489.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.8
55.01844	9.2
55.05488	8.4
57.03416	6.3
65.03911	7.3
67.05481	8.9
68.99780	2.9
69.03397	4.9
69.07049	7.5
70.06564	8.8
71.70084	2.8
76.95716	2.3
79.05465	15.3
81.03392	16.0
81.07048	17.2
83.04974	3.9
84.08059	2.6
85.02891	23.9
86.09676	5.8
87.69519	2.3
90.88869	2.4
91.05470	15.3
93.03411	17.8
93.07014	10.6
95.04938	7.2
95.08568	10.0
97.02892	4.4
99.89637	2.8
103.05428	5.6
105.03338	2.4
105.07003	8.6
107.04915	33.2
107.08578	6.6
109.02850	15.7
109.10152	5.4
111.04430	15.0
115.06696	2.6
117.07010	5.7
119.04910	9.5
119.08555	4.9
121.02840	100.0
121.06475	22.8
123.04414	6.1
123.08033	7.9
127.03857	2.8
128.06178	3.1
129.06947	6.9
129.29153	2.7
131.04907	7.2
133.06529	6.3
133.10091	3.4
135.04379	10.6
137.05914	11.5
139.03835	8.0
141.06964	3.3
145.06396	6.6
147.04384	13.5
147.07991	8.2
149.02356	4.6
149.05951	10.3
149.09555	11.5
150.02629	4.6
151.03893	8.0
151.07544	2.9
157.06377	3.1
159.04382	6.9
159.08035	5.0
161.05925	7.3
161.09535	2.6
163.03769	3.6
165.01837	10.9
165.05493	3.2
165.09074	8.8
167.06999	5.2
169.10126	3.1
173.06001	5.6
175.03885	4.9
175.07474	4.1
177.01797	15.5
177.05431	7.8
177.09206	3.3
179.03271	3.3
181.04883	3.3
183.02849	7.9
187.03802	6.4
187.07523	5.8
189.01836	21.8
189.05457	5.9
189.09172	2.9
191.03354	10.0
195.02831	55.6
197.06053	3.1
199.04077	3.5
201.01790	4.8
201.05486	3.6
203.03372	25.4
203.07025	3.9
203.10664	3.4
207.02849	51.3
209.04456	4.9
215.03320	9.3
215.10645	3.2
217.04924	6.4
219.02794	9.5
221.04398	20.9
223.06093	3.0
225.03856	34.8
227.03311	3.7
229.04869	4.1
231.02779	19.2
231.06374	4.6
233.04378	9.7
233.07957	7.5
237.07565	5.3
243.02846	34.1
243.06485	8.9
245.04324	6.8
245.08046	33.5
249.03947	13.1
255.02731	12.7
257.04425	5.1
257.07993	19.6
261.03857	10.6
261.07513	7.3
263.09106	28.7
271.09628	6.5
273.03864	10.6
273.07541	3.1
275.05518	7.7
275.09067	68.4
285.07684	4.7
285.11066	3.5
297.07516	8.1
299.09097	38.3
311.09067	18.0
313.10693	4.5
317.10037	5.3
323.08926	7.8
325.06802	4.3
327.12161	8.0
329.10046	11.6
337.10440	3.0
339.12201	65.6
340.12289	3.3
341.10080	25.7
351.08957	4.0
351.12381	31.2
359.11417	13.3
367.07990	3.7
369.13333	40.3
377.12274	5.9
381.09512	6.4
393.08408	3.4
393.13330	63.9
405.13260	46.8
411.10721	7.5
417.13162	19.4
423.14355	5.5
429.11758	13.5
435.14151	22.7
445.14865	4.9
453.15259	21.5
471.16299	17.3
506.94907	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01851	0.9
55.05507	3.1
57.03428	10.5
61.02910	1.1
69.03432	1.4
70.06572	1.7
71.01366	0.9
71.04981	78.4
71.08609	0.9
71.70075	0.9
72.08135	2.1
73.02900	2.2
75.04472	4.7
81.03426	0.8
81.07055	1.9
83.04966	13.8
84.04482	1.5
84.08153	1.5
85.02892	100.0
86.03267	0.6
86.06003	0.7
86.09702	4.2
87.04445	2.0
93.03358	0.6
97.02876	3.8
99.04462	2.1
99.08100	4.4
101.05987	1.0
102.91537	0.7
103.03933	0.6
103.87864	0.6
109.02863	0.7
109.06506	1.7
111.04442	7.3
117.08418	0.5
117.09114	33.1
127.03929	2.3
127.07562	2.5
129.05461	42.7
129.10199	0.7
145.04956	2.6
146.08044	0.7
147.06502	18.1
147.07631	1.3
162.07611	1.2
163.09645	9.7
164.09209	3.0
173.08115	0.7
178.23987	0.6
180.08638	1.0
180.12146	0.6
225.07297	0.7
227.12848	2.5
245.13693	0.7
255.08507	1.1
255.09474	1.1
255.12212	11.5
255.14558	1.0
273.09702	0.7
273.13358	0.8
299.05649	0.7
309.15366	0.8
310.26669	0.7
327.05008	1.2
345.44492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1387
Annotation	Isoswertisin 2''-acetate
Peak:m/z	Relative Intensity
71.04067	1.6
71.04401	1.4
71.04980	2.2
81.03387	1.0
85.02894	4.2
95.08582	1.1
95.41158	0.8
96.22695	0.8
97.49869	0.8
105.63458	0.7
108.58443	0.7
108.85727	0.7
118.81744	0.8
121.02854	0.9
129.05461	1.9
137.05943	1.1
143.30199	1.0
153.01814	6.3
159.04494	1.3
167.08733	0.8
182.99217	0.9
213.05383	4.3
225.05577	0.9
239.06905	1.0
269.04468	1.0
273.04010	1.1
279.06369	2.3
281.04410	3.2
283.05969	2.2
285.04059	5.3
285.07162	1.2
293.07993	2.7
294.98813	0.8
295.05951	3.3
297.03934	3.3
297.07098	1.5
299.05511	1.2
305.08234	1.0
307.05988	1.8
308.06757	3.2
309.03946	1.4
309.07489	0.9
311.05411	13.6
311.08792	1.2
315.04947	1.1
319.05966	1.1
321.07520	20.7
322.08359	1.6
323.05438	3.6
323.08966	1.9
324.06226	3.4
325.06683	1.6
327.04901	1.4
327.08548	2.4
331.06064	1.3
332.06732	2.9
333.07550	1.1
335.05402	1.5
337.06848	2.3
337.10577	1.0
339.08572	100.0
340.08969	2.8
345.07559	1.7
346.08429	2.2
347.09280	3.0
349.06961	1.5
350.07724	1.0
351.08652	2.5
353.10043	1.4
361.10849	1.8
365.10147	19.8
369.09644	30.2
377.10306	1.0
379.11722	11.2
388.08243	0.9
389.10245	1.6
393.09641	37.7
399.08841	1.1
405.09528	14.3
417.09702	11.6
423.10641	11.8
435.10669	19.3
453.11667	27.2
471.12698	6.0
489.26489	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.5
53.03945	9.5
55.01851	3.9
55.05505	23.4
57.03407	2.9
57.07067	2.3
59.04971	1.1
65.03927	4.8
67.05496	64.3
69.03403	2.1
69.07059	13.2
69.94861	6.5
71.04982	3.5
73.06549	2.3
73.21210	0.9
77.03894	2.1
79.05483	100.0
81.03417	13.4
81.07047	55.4
81.07540	1.7
83.04973	16.4
83.08596	7.7
85.06531	3.0
91.05468	79.1
93.07033	75.7
95.04959	31.7
95.08007	1.9
95.08592	32.9
95.09194	2.3
97.02858	1.1
97.06522	8.0
97.10181	4.7
98.20723	1.1
99.14317	0.9
100.86195	1.1
103.05444	2.5
104.34516	1.1
105.04493	1.5
105.07016	57.6
107.04931	7.9
107.08577	22.7
107.09243	0.7
109.06496	9.8
109.10133	6.0
111.08055	2.5
111.28275	1.0
113.61301	1.0
115.05408	2.7
117.07000	13.0
119.08569	31.9
121.06483	3.6
121.10153	7.0
123.08049	9.3
127.07527	1.2
128.06209	4.6
129.06979	24.8
131.08545	5.3
133.06493	1.6
133.10124	12.7
135.08054	1.2
135.11652	3.9
137.09595	1.5
139.07559	1.3
141.07010	1.8
143.08559	11.9
145.06444	0.9
145.10080	13.8
147.08005	3.3
147.11664	39.1
148.60071	0.9
156.09311	1.8
157.09959	1.4
159.11650	2.1
160.05576	1.0
161.09621	5.7
161.13251	20.0
163.11122	3.3
169.10094	1.7
171.11670	35.5
179.14253	4.2
187.11031	1.3
189.12718	18.2
194.64102	0.9
207.13785	42.5
225.14809	8.9
230.81512	1.1
263.16464	1.5
281.17459	2.5
309.16785	1.2
469.28934	1.2
487.30399	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	487.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02589	5.6
55.01857	9.7
55.05497	11.4
60.78481	5.3
66.51857	5.7
67.05490	37.3
69.07046	17.5
70.06569	10.0
71.50439	8.9
71.50786	7.0
79.05490	40.8
81.03381	12.8
81.07031	24.9
83.04944	11.0
83.08591	10.2
85.02863	6.8
91.03981	7.4
91.05463	48.1
93.07025	27.8
93.38401	5.7
95.04950	13.9
95.08572	16.6
97.02789	6.4
105.07023	46.1
107.04921	11.0
107.08572	17.0
109.10164	7.6
117.06979	14.1
117.18993	5.6
119.08550	31.4
121.06484	11.1
121.10148	11.5
127.03930	6.8
131.08560	23.0
133.10112	12.6
135.08063	9.2
140.34442	5.8
145.10110	16.2
171.11711	8.3
197.13054	7.4
225.65991	5.6
233.15297	24.3
251.07233	14.4
269.08264	15.9
307.19000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03932	10.7
55.01854	3.9
55.05503	25.4
57.03416	3.6
57.27580	1.2
61.02933	1.7
65.03918	4.7
65.15949	1.1
67.05494	65.9
69.03419	3.7
69.07057	15.4
71.04978	4.2
71.70322	1.2
71.70798	2.3
73.06532	3.1
79.05480	100.0
81.03413	12.7
81.07042	66.8
83.04971	17.8
83.08624	9.8
83.38119	1.3
85.06509	2.7
87.04463	1.6
91.05465	80.4
93.07030	73.4
95.04954	32.1
95.08587	35.1
97.02907	1.5
97.06511	8.0
97.10141	5.5
99.08070	2.0
103.05441	2.4
105.04494	3.6
105.07014	58.2
107.04935	9.7
107.08582	28.1
109.06513	8.2
109.10114	7.1
111.08021	2.0
115.05434	3.7
117.07022	10.3
119.07739	2.1
119.08561	33.5
121.06452	3.1
121.10091	7.6
123.08024	8.4
123.11740	1.4
123.37464	1.1
125.09561	2.6
128.06203	4.7
129.06985	25.9
131.08495	8.3
133.06456	1.8
133.10114	17.5
134.98183	2.0
135.08037	1.9
135.11653	3.8
137.05981	1.8
141.07001	2.7
143.08546	12.3
145.06451	1.4
145.10109	16.0
147.07991	3.5
147.11656	42.5
154.27371	1.2
155.08528	1.6
157.10162	1.8
159.11656	2.1
161.09648	6.2
161.13220	18.9
163.11148	3.4
169.10127	2.5
171.11655	33.9
177.12819	1.3
179.14284	4.4
189.12683	18.3
195.11574	1.3
207.11803	2.0
207.13770	39.6
225.14743	9.7
263.16345	2.5
269.10501	1.6
271.92914	1.6
281.17514	4.0
349.16653	1.8
401.97397	1.4
431.13538	1.5
469.23071	2.1
469.33405	2.4
487.30096	38.5
488.30353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.185
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
50.98312	0.3
55.01860	0.5
67.94151	0.3
69.03404	0.7
70.06575	1.3
71.69654	0.4
72.08141	0.5
74.00643	0.7
76.03983	1.0
78.16008	0.3
79.05466	0.3
80.05018	0.6
83.06090	0.4
84.04489	5.5
84.08109	0.9
85.02878	0.4
85.04026	1.6
86.06047	1.0
86.09687	1.2
87.04453	16.5
92.01694	0.4
93.05766	2.9
94.06541	0.8
95.67440	0.3
97.01105	0.3
98.00597	0.5
98.97592	0.3
99.02637	0.8
99.05514	0.5
106.06519	0.6
107.07304	0.4
108.08105	0.3
110.05965	0.3
111.30544	0.3
112.03947	0.6
113.03413	0.4
113.07202	0.3
118.06479	0.4
120.08094	0.7
125.02970	0.3
126.03719	11.5
127.02099	0.7
129.06587	0.3
129.10252	0.3
130.04967	3.1
131.04507	1.1
132.08051	2.3
133.08864	1.9
134.09618	1.1
135.02605	0.8
138.03712	1.2
139.03207	0.4
145.06026	0.8
147.07602	0.3
149.03722	0.4
150.09103	0.9
152.05280	2.5
153.06587	0.3
160.06277	0.3
160.07507	1.7
161.08372	2.8
162.09003	0.3
163.03819	0.4
164.07063	0.4
164.10664	0.5
166.06836	11.0
167.07170	0.3
168.04781	1.1
176.05273	1.2
177.03271	5.4
178.08591	0.7
179.09425	1.6
180.04761	1.2
180.10162	6.0
181.06068	0.7
182.11737	1.6
184.07901	2.0
185.03764	2.4
192.04745	0.4
194.06320	14.8
196.07915	0.6
212.07364	100.0
213.07637	2.2
213.94945	0.3
214.08940	0.8
218.52403	0.3
220.07880	0.8
231.04332	5.7
238.08922	6.2
248.07407	1.9
255.08987	0.4
255.11595	5.3
265.09988	2.2
266.08411	9.0
283.11069	4.3
287.13956	0.4
288.06424	1.3
288.14374	0.4
306.07483	0.5
321.12711	1.3
358.14240	9.4
359.14316	0.4
368.07501	0.3
394.14282	1.0
412.15317	0.7
457.96997	0.3
469.17459	0.4
487.17676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.9
57.03423	7.2
57.07070	29.8
67.05494	8.0
67.24790	2.0
69.07055	5.3
71.08623	19.1
71.71442	3.5
74.54904	2.2
78.91160	1.8
81.07059	7.2
83.08614	4.3
85.10162	8.8
87.04466	9.8
91.05453	2.8
95.08569	11.6
97.10189	2.3
98.98444	22.4
105.07027	3.8
109.10145	3.8
119.08625	3.1
123.11692	2.5
131.08611	2.6
133.10139	5.0
154.48283	1.9
155.00992	13.9
173.02162	3.0
293.27014	2.0
313.27319	100.0
314.27789	2.9
449.26422	7.5
485.35944	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	486.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52382	1.0
53.03941	1.6
54.80627	1.0
55.01863	1.6
55.05503	8.5
55.05745	1.5
57.03423	1.7
57.07082	1.9
58.99573	17.2
67.05495	36.5
69.03407	2.9
69.07058	6.3
70.06583	1.4
71.04989	1.1
71.08453	1.7
71.08782	1.2
71.25826	0.8
72.08121	1.4
72.93220	1.0
73.01142	0.9
74.32822	0.9
76.02215	68.4
76.03993	2.6
79.05482	9.3
81.07044	28.4
83.04957	1.2
83.06096	4.0
83.08598	3.4
84.04488	23.9
84.08114	1.8
85.06548	1.0
86.99037	5.1
87.02650	1.2
88.02171	1.7
91.05476	8.5
93.07028	12.7
95.04962	5.4
95.08591	48.7
96.02317	0.9
96.67876	0.9
97.02840	1.0
97.06516	1.7
98.81734	0.9
99.05550	1.3
100.65547	0.9
105.07019	11.5
107.08589	6.4
109.06506	4.8
109.10133	33.1
112.03935	0.9
113.04215	2.8
116.01659	24.8
116.02441	2.1
117.06992	1.8
119.08566	13.5
121.10168	2.8
123.08033	4.6
127.05755	1.1
129.06595	3.0
130.04976	7.6
130.06885	2.8
130.08609	1.4
131.08496	1.2
133.10110	3.7
134.09637	3.0
135.11690	2.6
137.09589	2.2
139.05745	1.8
142.03220	6.3
144.01123	13.2
145.06184	1.3
145.10081	1.0
149.09698	1.3
151.14789	19.8
156.13806	2.2
157.10164	1.1
161.09599	2.3
161.13225	13.9
162.02177	45.4
170.02686	2.9
179.04823	100.0
179.14276	29.9
180.24236	1.0
187.05316	3.8
203.14294	1.8
210.79266	1.0
215.04810	1.4
216.06746	1.8
233.05869	18.6
236.14693	4.4
237.12988	6.1
245.05928	3.4
254.15706	1.7
290.17480	1.5
291.06433	2.9
299.86688	0.9
308.09039	14.8
339.17270	14.2
357.18216	1.4
361.98392	1.1
393.18271	2.5
411.19421	13.9
468.21555	6.1
469.20395	1.3
486.22708	2.3
486.42169	3.1
487.19000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1989
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
50.10044	0.3
60.45418	0.3
66.79321	0.3
67.05470	0.5
67.37945	0.3
70.06567	1.0
71.70627	0.5
72.08143	0.3
79.05461	0.4
79.71925	0.3
81.03398	0.5
81.07033	0.9
85.02915	0.5
86.09700	0.8
91.05442	0.4
93.07021	0.4
95.08583	0.5
97.02870	0.6
97.06559	0.3
107.08559	0.5
112.40404	0.3
120.08038	0.4
121.10141	0.3
129.07001	0.3
163.11034	0.3
165.33977	0.3
181.55968	0.3
202.52588	0.3
203.05334	0.6
249.11179	1.7
259.07874	1.6
267.10873	0.5
271.05957	0.3
285.03870	2.4
285.11813	0.4
305.13629	0.4
309.12003	0.4
311.05478	1.4
323.14651	5.9
351.08875	0.3
353.10159	2.4
363.05331	0.4
379.11609	0.4
407.11130	0.9
431.11118	0.5
449.11957	0.4
457.20795	0.4
467.13348	0.6
485.19882	100.0
486.20212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57371	0.8
53.03941	1.0
55.05497	3.9
57.03429	17.0
59.04987	2.2
59.24899	0.8
61.02912	1.7
69.03425	3.6
70.06573	1.9
71.01341	1.4
71.04984	59.1
71.07653	2.7
71.08620	15.6
72.08130	1.8
72.24474	1.1
73.02902	3.1
75.04475	6.9
81.03416	1.8
81.07035	7.7
83.04974	14.1
83.93610	0.9
84.48820	1.0
85.02893	90.2
85.06526	4.4
86.09708	1.0
87.04466	2.4
97.02861	5.9
99.04455	2.4
99.08075	18.5
103.03896	1.4
104.10686	1.0
109.02873	2.3
109.06497	6.7
111.04456	5.7
113.66152	0.9
115.07581	1.8
117.09114	100.0
119.57689	1.0
120.08073	1.0
127.03910	4.1
127.07537	2.6
129.05452	29.6
141.09084	22.3
145.04976	2.1
145.08582	6.8
147.06512	13.3
159.10132	8.3
170.86107	1.1
177.11194	51.2
255.08624	1.5
269.13776	1.1
293.59067	1.0
322.90747	1.0
329.21713	1.0
332.23483	1.0
412.56281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.6
57.03432	7.9
57.07062	11.6
60.08849	3.1
67.05486	9.4
69.07061	27.3
69.72705	24.9
71.08627	2.9
75.06941	3.0
79.05466	3.9
81.07048	11.1
83.08620	22.6
85.06532	2.9
89.06114	3.8
93.07011	4.1
95.08582	9.0
97.10161	12.5
98.98453	14.2
105.06992	5.4
111.11766	3.8
121.10152	5.8
131.08504	3.6
143.08528	3.8
155.01030	8.4
271.97421	3.1
311.25739	100.0
483.34125	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	483.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.9
53.03930	3.8
55.01862	4.1
55.05503	13.7
57.03205	0.8
57.03434	11.2
57.07063	1.3
65.03922	1.6
67.05495	43.6
69.03413	2.4
69.07059	17.9
70.06583	1.1
70.46799	3.5
71.01340	6.9
71.04964	3.1
72.08093	0.9
73.06563	1.0
77.03912	0.9
79.05483	35.5
81.03402	3.1
81.07044	100.0
82.07357	1.1
83.04975	4.7
83.08603	9.9
85.02902	0.8
85.06525	2.4
89.02392	4.1
91.05468	31.5
93.07030	26.9
95.04955	9.4
95.08002	1.7
95.08591	26.7
97.02872	1.1
97.06517	8.0
97.10168	2.3
99.00790	1.8
99.08039	4.1
103.05453	1.1
105.07013	35.2
107.04941	7.1
107.07893	1.5
107.08579	16.9
109.06507	20.3
109.10155	7.7
111.08068	4.6
113.05974	1.1
115.05448	1.0
117.06996	8.1
117.93407	0.9
119.08566	24.5
121.06484	4.7
121.10126	12.4
123.08046	8.5
123.11694	6.9
125.09560	1.7
129.06995	3.9
131.08554	11.8
133.06421	1.4
133.10103	16.2
135.08047	5.0
135.11673	6.6
137.09634	4.4
141.06964	0.9
143.08528	1.0
145.06470	1.3
145.10107	10.7
147.08051	2.0
147.11662	28.0
149.09589	8.5
149.13240	7.9
151.11145	2.6
155.08508	0.9
157.10095	6.1
159.08070	1.6
159.11653	7.6
161.09691	1.9
161.13232	3.7
163.11122	6.5
163.14703	1.3
165.12721	12.5
167.14288	1.5
169.10071	1.5
171.11679	2.2
173.04335	1.0
173.09628	1.0
173.13242	5.0
175.11130	6.5
175.14806	1.1
177.12735	3.8
183.11636	1.9
185.13188	1.7
187.11140	1.1
187.14775	1.7
189.12738	0.9
191.05475	1.5
191.14407	1.4
193.12210	4.0
195.13742	1.8
197.13232	1.3
201.12764	2.0
201.16383	0.9
207.13789	1.5
211.14841	1.1
213.16360	1.0
219.17480	0.9
229.19427	4.5
239.17899	3.3
239.48518	1.0
247.20499	4.1
257.18979	7.6
267.15900	1.4
275.20029	58.8
276.20300	1.9
287.07516	0.8
293.21082	14.5
349.23746	4.2
363.21689	1.4
409.22324	1.3
465.24680	2.4
483.25861	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	483.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40138	0.3
55.05491	0.5
56.83270	0.2
67.05485	1.5
69.03420	0.8
69.07048	0.8
70.85975	0.5
71.04956	0.3
71.08593	0.3
79.05479	1.1
81.03403	0.9
81.07038	1.6
81.43200	0.2
81.96500	0.3
83.04971	0.3
83.08603	0.2
85.02927	0.3
85.35853	0.2
91.05475	0.8
93.07017	0.8
95.04912	0.3
95.08588	1.3
97.02849	0.3
97.10163	0.5
99.04446	0.4
99.08019	0.4
105.07008	0.7
107.08601	0.8
109.02879	0.7
109.10135	0.5
111.04438	0.3
119.08547	0.5
121.10151	0.6
123.11657	0.3
127.03903	2.0
131.08540	0.3
133.06499	0.2
133.10091	0.6
151.34523	0.2
156.13795	2.4
157.14151	0.6
161.02962	0.3
161.13284	0.3
170.68202	0.2
203.05322	0.7
213.04012	0.4
259.07739	0.5
265.12808	0.6
283.13895	0.6
307.13901	0.5
321.16727	0.8
372.11264	0.3
429.15527	0.3
446.37015	0.3
447.37717	0.8
464.38553	0.6
465.38934	0.9
482.40234	0.3
483.21927	100.0
484.22250	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.9
55.01864	23.2
55.05504	86.4
57.03424	19.1
59.04983	14.5
65.03916	5.1
67.05494	99.2
69.03390	5.5
69.07056	32.2
69.64642	3.7
70.06587	4.0
70.39765	3.8
71.04974	11.0
71.70512	6.2
79.05482	87.8
81.03397	13.4
81.07046	100.0
83.04969	18.4
83.08609	72.0
89.02350	6.8
89.50347	4.1
91.05469	72.1
92.06417	3.6
93.07033	86.2
95.04960	43.9
95.08596	78.3
97.06511	27.3
97.10130	9.7
101.13773	3.9
105.07027	67.3
107.04961	36.1
107.08586	50.3
109.06493	12.6
109.10152	29.0
111.08095	24.0
117.07018	30.6
119.08559	57.3
121.06485	12.8
121.10110	38.5
123.08032	15.8
123.11642	4.3
125.09579	9.1
129.06976	11.4
131.08565	38.4
133.10106	45.4
135.08104	6.3
135.11646	25.6
137.09619	9.1
143.08496	7.1
145.10095	35.3
147.08052	7.5
147.11670	23.4
149.09589	54.3
149.13200	7.4
151.11154	10.4
157.10129	7.3
159.11720	19.8
161.09554	4.1
161.13203	13.8
163.09926	6.1
163.11166	59.5
165.12663	15.2
169.10083	8.9
171.11577	9.9
173.09604	4.8
173.13239	14.6
175.11215	9.2
177.12749	9.6
183.11649	10.8
189.12599	4.5
195.13756	8.1
197.13263	5.6
205.12221	8.3
211.45755	4.0
229.19519	5.9
239.17818	19.1
247.20482	6.0
257.19012	24.0
269.17346	5.7
275.20007	92.0
293.21078	15.2
315.57120	4.1
349.23645	25.6
419.76663	3.7
483.25540	25.4
483.35059	12.1
484.76038	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	483.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74543	1.2
59.21133	1.1
69.03397	2.5
71.70190	1.8
82.99860	2.0
85.02897	3.5
96.78624	1.4
97.02857	2.8
97.15736	1.2
101.00856	10.8
109.02847	1.5
113.00829	1.9
116.95944	1.1
119.01913	28.2
119.02744	1.9
122.67706	1.0
129.03917	1.4
131.01878	19.6
131.29970	1.1
133.03441	3.7
137.01964	2.3
137.02943	4.3
139.02342	1.3
139.13910	1.2
143.01855	21.7
145.03479	12.2
147.01353	1.9
147.05017	1.6
149.02925	2.6
151.04411	1.7
155.00653	1.1
155.01872	24.0
157.01591	1.5
157.03456	8.9
161.02951	26.9
163.04543	2.1
164.50093	1.2
167.01852	6.8
169.03481	2.5
170.24936	1.4
171.05032	2.8
173.02946	46.9
173.04449	2.5
173.52925	1.2
175.04494	4.0
177.00948	1.3
177.02426	4.7
179.01839	2.9
183.01398	1.8
183.05038	1.6
185.02930	49.1
187.04468	5.7
188.87523	1.5
191.03836	1.4
195.03526	1.2
197.02924	16.0
201.00787	1.8
201.02419	39.1
202.02527	1.9
203.03979	18.2
209.02989	3.0
213.02417	8.7
215.03975	11.6
219.03470	100.0
220.03737	4.5
221.05070	4.3
224.04362	2.8
225.02365	1.7
227.03937	10.4
229.05460	2.2
231.03433	9.9
231.13458	1.2
233.05130	2.5
237.02437	1.5
237.04648	2.5
239.03944	1.7
242.05037	5.1
243.03534	4.1
245.05038	100.0
246.05176	3.6
247.95621	1.5
249.04640	8.2
255.03481	5.7
257.05078	6.3
261.04642	18.2
263.06174	13.9
273.04581	3.2
275.06012	15.7
279.05774	6.3
284.06512	1.9
286.07635	1.9
291.05557	1.4
293.07166	3.7
303.05582	28.2
305.07202	11.0
321.06644	36.8
321.10333	2.7
335.08160	3.3
363.07867	1.6
365.09088	8.8
367.08789	1.3
368.63226	1.3
483.06686	1.5
483.11972	20.2
484.12448	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	482.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.1
55.19440	0.3
58.06589	3.9
65.03902	0.4
67.05492	2.1
69.07044	1.0
70.06575	2.0
70.84266	0.8
70.84597	0.3
71.04955	1.0
71.08616	11.3
72.07764	0.5
72.08140	6.2
79.05479	2.1
81.03428	0.3
81.07027	2.2
83.04935	0.5
83.08647	0.3
84.04484	0.4
84.08125	3.6
85.02866	0.6
85.06532	0.5
86.09670	0.5
91.05460	3.0
93.07021	2.5
95.04931	0.7
95.08582	2.1
97.06507	0.8
98.06027	1.1
99.08072	20.4
100.11219	0.8
101.65509	0.3
102.74895	0.3
105.07000	2.7
107.08564	1.3
109.02847	0.4
109.10116	0.7
112.07579	0.4
112.11225	3.1
115.36976	0.3
117.06994	0.6
119.08550	3.0
120.08069	0.7
121.10085	0.9
123.08086	0.4
128.10661	1.8
129.13823	0.5
131.08559	0.8
133.10085	1.2
135.11699	0.5
137.05948	0.9
138.09134	0.5
139.12294	0.3
143.08514	0.4
145.10071	0.7
146.11769	0.5
147.07954	0.3
155.15453	1.5
156.13806	100.0
157.10104	0.4
157.14215	1.6
159.11603	0.5
161.13228	1.3
185.13197	0.5
204.17885	0.3
227.21164	1.5
244.23964	0.3
274.21552	0.7
278.21143	1.2
289.11993	0.3
292.22644	2.4
349.28445	0.6
366.30957	1.0
446.37061	1.9
447.35742	1.4
464.38403	97.2
465.38672	4.5
482.39395	11.4
483.39575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05492	2.1
55.74821	0.5
57.07075	0.7
58.06591	3.1
65.03912	0.7
67.05496	2.1
69.03404	0.8
69.07050	1.5
69.63497	0.5
70.06586	3.8
71.04983	1.3
71.08621	12.2
71.70946	0.8
72.07772	0.5
72.08145	6.9
79.05479	2.9
81.07056	2.9
82.48993	0.5
83.08611	0.8
84.04504	1.0
84.08141	4.1
85.06547	0.8
91.05477	6.0
93.07024	2.4
95.08597	1.6
98.06062	1.1
99.08080	23.0
100.11223	1.0
105.07010	4.3
107.08582	1.4
109.06492	0.6
109.10114	1.2
110.09655	0.6
112.07578	1.4
112.11214	3.5
117.07005	0.7
119.08575	3.7
121.10130	1.8
127.11137	0.6
128.10690	2.1
129.13887	0.5
133.06432	0.8
133.10127	1.6
137.05933	0.7
137.09612	0.5
143.08533	0.5
147.08015	1.3
154.12263	0.8
155.15402	0.7
156.13821	100.0
157.14139	1.1
161.13252	1.6
167.06982	0.8
175.14799	0.9
190.25099	0.5
203.14194	0.7
227.21144	1.6
236.23636	0.5
249.18477	1.7
260.20096	1.9
274.21643	3.0
278.21124	2.4
292.22672	1.0
331.27475	1.0
348.29999	0.9
359.55389	0.6
428.36145	0.9
429.35010	0.7
446.37381	37.9
447.37473	1.8
449.82349	0.7
464.38434	55.6
465.38699	2.0
482.39447	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05503	4.2
57.03429	7.9
59.05004	1.7
61.02905	1.7
65.03925	0.9
67.05496	7.5
69.03419	17.1
69.07059	4.5
70.06569	2.7
71.01435	1.6
71.04980	14.1
73.02905	1.3
73.06534	2.7
79.05476	8.1
80.47877	0.8
81.02953	1.0
81.03413	12.8
81.07043	21.2
83.04966	4.1
83.08609	5.5
84.08121	1.4
85.02895	18.6
87.04454	12.6
91.03935	1.4
91.05470	8.2
91.11830	0.8
93.07032	14.1
95.04956	7.7
95.08570	5.1
97.02877	19.3
97.06527	1.9
97.10162	1.5
99.04461	1.2
105.07016	5.4
107.04917	1.0
107.08571	10.3
109.02842	1.1
109.06480	1.8
109.10138	2.2
110.07169	0.8
111.04410	1.5
111.08040	2.9
115.03912	24.2
119.08585	4.2
120.08097	1.6
121.10056	1.6
123.11643	0.8
127.03889	2.4
129.06992	2.0
131.08513	2.2
133.04948	26.2
133.10115	3.7
135.11670	17.1
145.04922	3.3
147.11646	4.4
149.09566	1.0
153.12721	100.0
156.13773	1.5
157.10114	3.0
162.58261	0.8
165.12723	1.3
167.06990	1.4
175.11156	5.1
193.12221	14.7
211.13306	11.0
241.07170	1.1
243.15887	2.1
267.15820	9.0
285.16916	33.3
295.10052	2.1
359.12637	0.9
464.37430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.5
65.03925	3.2
69.03423	3.7
70.06572	7.0
70.99035	2.4
71.27015	5.2
79.05455	6.4
81.03412	4.2
83.04915	2.8
85.02885	17.5
93.03382	12.9
95.04980	4.0
97.02891	13.3
98.21582	2.8
103.05424	6.1
105.03352	3.5
107.04932	23.3
109.02864	16.6
110.07133	4.3
111.04427	7.9
111.84771	2.8
119.04936	4.4
120.08080	5.5
121.02837	21.8
121.06485	5.1
123.00774	3.1
127.03996	3.3
131.04921	8.5
135.04372	17.4
137.02383	3.7
139.03880	7.8
147.04401	6.3
149.05978	5.5
151.03888	6.8
153.01805	6.1
159.04459	6.7
161.02254	3.6
163.03915	4.3
165.01794	27.0
169.01245	3.6
169.09439	2.5
175.03862	6.4
177.01826	19.2
177.05457	9.4
179.03433	4.9
183.02878	31.7
189.01720	3.0
195.02869	100.0
203.03381	10.8
203.07549	2.9
207.02856	28.1
215.03377	10.4
217.04941	3.0
221.04492	11.9
223.02429	4.6
225.03889	39.0
225.05931	3.8
227.03424	3.4
231.02888	33.8
233.04463	7.5
243.02921	10.4
245.04454	8.2
249.03949	21.2
255.03020	6.2
259.05908	17.2
261.03894	16.1
271.05981	38.4
273.03885	29.8
289.03397	4.4
291.04929	24.7
301.06998	25.0
303.04828	4.7
303.13193	5.1
309.06143	8.1
325.06985	53.1
351.04962	3.1
355.08069	55.3
367.08170	18.6
385.09088	31.1
403.10159	75.8
421.11185	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42929	1.7
53.03928	2.5
55.05501	7.6
57.03432	6.4
61.02924	3.5
67.05496	12.3
69.03433	4.7
69.07062	4.3
70.06589	4.6
71.04972	3.5
71.70803	3.7
71.79181	1.5
72.08168	1.8
79.05489	15.8
81.03405	29.2
81.07039	17.5
82.03841	2.0
83.04968	7.7
83.08605	11.1
85.02895	10.9
85.06512	3.0
86.09695	5.4
86.76984	1.9
91.05470	15.3
93.07043	10.9
95.04948	12.9
95.08614	6.8
97.02905	3.8
97.06493	4.2
99.08061	1.9
105.07019	9.7
107.04951	2.4
107.08595	6.9
109.06532	5.9
109.10126	2.5
110.07188	1.6
111.08075	4.6
115.03918	1.8
115.05482	2.3
119.04971	2.2
119.08591	10.8
120.08072	8.7
121.02821	1.8
121.08443	3.8
121.10132	3.8
123.08014	2.4
129.06995	5.3
131.08577	6.3
133.10121	6.8
135.08086	2.5
135.11606	1.8
144.78723	2.2
147.08110	2.5
147.11659	10.5
149.09605	2.5
153.12708	3.2
156.13860	1.6
157.10103	9.3
165.12744	3.1
175.11140	10.0
193.12213	31.9
195.06718	1.8
211.13248	23.9
243.15768	1.7
267.15820	14.9
285.03885	2.2
285.16916	100.0
286.17242	3.1
320.13046	3.3
482.19470	2.4
482.27151	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	482.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39350	4.6
63.20948	4.1
63.21825	4.6
66.07346	4.6
67.97122	4.3
69.03417	7.0
69.98363	8.8
69.98777	21.7
73.02899	5.2
81.03383	6.4
85.02892	17.0
88.32410	4.6
92.04957	5.2
97.02864	5.6
98.21360	6.7
103.03909	5.2
107.01358	6.7
109.02812	6.0
112.79952	5.5
149.02307	6.0
153.01822	14.1
153.60023	5.1
165.01805	7.0
166.04990	11.6
168.06526	15.3
170.10207	4.9
173.05998	4.9
178.04991	9.8
183.02859	8.5
194.04472	65.7
195.02849	11.9
201.05463	6.1
203.03362	7.6
205.05003	12.2
211.03932	7.0
211.47932	5.0
215.03459	8.2
217.05116	6.4
219.02921	8.2
222.91101	5.2
225.05528	7.0
229.04953	20.3
231.02962	7.8
232.61841	4.6
233.04454	16.4
239.03174	6.1
241.04971	8.4
243.02858	14.2
244.06017	6.9
245.04425	31.0
253.04895	13.5
255.02864	7.0
256.06180	8.8
257.04407	29.2
258.07523	5.5
259.02460	9.8
259.05930	5.5
260.03140	6.9
261.03955	17.4
267.03009	8.1
268.06073	14.8
269.04306	11.0
270.07587	12.1
271.05991	14.8
272.05612	6.1
273.03885	100.0
274.04349	6.6
275.05365	14.2
277.03348	5.3
281.04401	10.8
285.03909	42.1
285.06708	7.5
287.05383	7.1
289.03418	29.4
295.06036	8.3
296.05554	19.0
297.03796	29.7
298.07083	16.9
299.05460	28.2
300.08640	8.0
302.06653	49.0
303.04898	80.2
310.07147	7.8
311.05411	13.4
314.06381	27.9
315.04797	13.0
316.08237	9.9
319.04422	18.1
320.07700	17.7
322.07196	6.0
325.03528	6.3
326.06705	13.3
327.04935	42.8
337.07111	6.6
339.04962	18.8
340.08087	6.1
343.04254	8.9
344.07581	35.6
345.05698	5.7
351.04999	11.5
355.04233	7.3
362.08539	20.7
363.04721	5.2
368.07416	22.8
369.06024	16.6
373.05493	8.8
386.08954	5.4
387.07013	6.6
398.08408	9.7
405.08234	7.1
410.08588	10.9
416.09924	6.2
421.07620	14.4
428.09833	19.5
429.07986	10.0
439.08298	7.1
446.10883	28.0
464.11880	82.8
465.09845	6.0
482.12585	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	481.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53014	1.0
52.28102	1.1
54.60978	1.0
55.01853	1.0
56.05015	4.4
58.06594	1.0
60.05624	1.9
69.96960	6.6
70.06583	2.6
82.86772	1.3
83.06064	2.3
85.02903	1.7
95.06075	1.5
97.02882	1.7
98.98428	1.3
99.74899	0.9
101.34860	1.1
111.05537	6.6
113.07117	3.5
120.04431	2.1
123.05562	1.0
126.06602	2.5
132.04448	10.7
134.05983	2.3
137.04648	1.4
140.08118	1.7
150.05434	2.9
151.06139	5.0
159.56316	1.2
165.06606	2.2
176.07034	1.6
187.08667	4.0
198.04518	1.0
202.09755	3.7
203.08180	1.9
230.09206	3.8
231.07625	18.9
233.13911	5.9
242.09204	2.5
246.08644	1.2
249.22261	1.0
257.10260	3.4
259.11880	23.1
277.12924	83.9
278.12991	1.7
284.11371	3.0
299.71301	1.2
301.14148	1.9
302.12442	46.2
303.12701	1.3
307.34311	1.2
319.15088	100.0
320.15375	3.7
331.04404	1.1
361.05896	1.1
416.66812	1.1
481.13074	3.2
481.20294	43.8
482.20621	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
59.52104	0.2
60.04515	7.0
60.46613	0.2
61.02954	0.2
69.80730	0.2
70.02932	0.3
70.06571	0.8
71.25089	0.6
72.04513	0.2
81.07053	0.2
84.04505	0.4
84.08118	1.0
85.02872	0.4
86.09693	23.6
87.05578	5.3
88.03992	0.3
91.05470	0.6
93.07036	1.3
95.08575	0.2
97.02855	0.2
98.09698	0.3
103.05457	4.0
105.06974	0.4
117.99776	0.2
120.08086	100.0
121.08421	1.2
122.06084	0.3
126.09210	0.3
126.87567	0.2
128.10698	3.3
128.92644	0.2
129.10210	0.4
134.04491	0.7
143.11778	0.4
173.12837	25.9
174.13150	0.4
192.29234	0.2
195.68573	0.2
201.12317	11.1
233.16463	0.6
261.15921	0.3
263.10233	0.5
275.17368	0.3
281.11282	23.8
282.11615	0.5
287.85629	0.3
303.17010	1.1
319.04453	0.5
348.19067	1.4
463.16782	0.3
480.65652	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	480.3081
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
55.01852	0.6
55.05282	0.5
55.05506	4.7
57.07053	2.0
62.06071	0.7
66.92336	0.4
67.05482	2.0
69.07055	3.9
71.08607	0.6
79.05482	0.8
81.07051	2.3
83.08604	1.9
85.05257	0.8
86.06030	0.7
86.09698	3.0
91.05463	0.6
91.62601	0.5
93.07024	1.3
95.08597	1.6
97.10136	0.8
98.06049	7.7
98.98412	0.5
107.08595	1.0
109.10155	0.6
112.07571	0.8
120.26426	0.5
124.99981	2.3
159.11676	0.4
184.07329	3.2
185.95538	0.5
191.53677	0.4
201.27158	0.5
205.77856	0.5
211.12445	0.5
308.29437	100.0
309.29736	1.7
326.30542	1.1
337.27499	0.6
338.25760	0.5
443.80154	0.5
480.38199	3.6
491.79892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.3
70.06576	0.6
71.70763	0.2
71.71120	0.3
80.43541	0.3
81.07024	0.4
83.04929	0.3
85.02905	0.6
91.05489	0.3
93.07029	0.4
99.35257	0.2
118.85252	0.3
120.08138	0.3
127.03689	1.1
127.77961	0.3
137.05963	0.6
143.01883	0.3
145.03395	0.6
147.04416	0.5
147.91516	0.3
161.02927	0.4
161.05898	0.3
169.03436	0.4
173.04230	0.3
186.06491	0.6
187.04579	0.4
194.04436	0.4
215.05339	0.6
229.04948	0.4
245.04413	0.4
257.04391	0.3
267.47064	0.3
285.03751	0.4
287.05713	0.3
301.08749	0.4
301.11823	4.2
301.14938	0.4
303.05029	0.6
317.08325	2.7
319.04523	2.7
319.12759	2.5
334.08859	0.4
349.12149	0.7
386.03925	0.3
431.07709	0.4
440.12924	0.5
463.10373	0.5
481.16757	100.0
482.17068	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.3
55.01858	2.4
55.05505	5.9
57.03426	1.4
57.07045	1.1
59.27838	0.7
61.02921	1.0
67.01854	2.6
67.05485	2.2
68.99779	2.4
69.03423	27.4
69.06689	1.3
69.07059	25.7
69.42133	7.1
70.06605	1.2
71.04984	5.0
73.02908	1.9
75.54929	0.9
79.05468	1.4
81.03404	38.8
81.03884	1.9
81.07040	2.1
83.08583	1.1
84.08134	1.4
85.02888	12.3
85.30827	0.7
87.00327	1.6
87.00819	18.3
91.05447	2.8
91.83699	0.9
93.06998	1.0
97.02876	22.7
97.10168	0.9
99.04437	10.9
105.01847	13.5
107.08553	1.0
109.02865	52.7
111.11707	2.7
117.01840	1.3
117.36845	0.8
127.03899	100.0
127.41365	0.8
128.04239	1.2
129.01845	2.0
137.05966	0.8
145.04877	4.1
147.02824	1.5
155.11906	0.8
158.98308	0.9
159.02867	5.9
179.38554	0.8
183.02893	1.3
195.02783	2.1
213.03914	20.2
218.11685	1.2
231.04977	22.1
275.97415	1.0
299.03821	4.1
300.25540	0.9
317.01584	0.6
317.04974	17.0
317.08426	1.6
335.06107	5.6
466.54651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
55.05503	3.4
57.03415	2.1
60.04501	1.4
61.02914	1.7
64.83962	0.9
65.03951	1.0
67.05491	5.5
69.03423	1.6
69.07053	2.2
69.97337	5.7
70.06559	1.9
72.08131	1.2
79.05489	8.2
81.03407	1.8
81.07045	9.0
82.12492	1.1
82.77332	1.1
83.04980	1.7
83.08602	3.4
84.04476	2.4
84.08146	2.5
85.02882	2.1
86.09689	1.5
91.05446	2.6
93.07030	14.1
95.04922	2.6
95.08592	15.8
97.02859	3.9
97.06502	2.0
98.20745	1.6
99.04453	2.8
105.07024	3.5
107.04932	2.8
107.08572	13.5
109.10128	1.4
110.44814	1.0
112.02168	1.3
117.06961	2.6
119.08588	4.0
120.08101	1.5
121.02832	1.2
121.06494	2.6
121.10101	5.5
125.05995	2.5
135.08075	1.0
135.11678	22.7
145.10104	15.4
163.11154	33.0
163.12457	2.4
181.12181	7.1
189.03291	2.1
209.11900	1.6
227.12753	43.5
250.13867	1.1
265.04413	0.9
283.15369	100.0
284.12738	1.2
284.15707	1.9
303.04849	2.3
304.05392	5.0
333.14673	1.5
390.79904	1.1
445.20319	1.1
480.29050	1.8
480.38083	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05506	4.0
57.03429	2.2
61.02913	2.1
67.05493	6.9
69.03428	1.3
69.07045	2.7
69.68068	7.7
70.06560	2.9
71.04980	1.7
72.08110	1.3
73.02903	2.1
75.77760	0.9
75.78201	0.8
77.83404	0.8
77.87174	0.8
79.05481	8.8
81.03403	2.3
81.07043	10.4
81.74780	0.8
83.04973	1.1
83.08613	5.0
84.04475	1.5
84.08125	3.4
85.02902	4.2
86.09693	2.1
91.03934	1.5
91.05463	4.3
91.99626	0.9
93.07028	15.4
95.04947	3.8
95.08591	18.4
97.02866	3.3
97.06528	1.7
99.04442	2.9
105.07030	3.0
107.04939	5.1
107.08578	11.1
109.02814	0.9
109.10133	2.1
111.04401	1.4
117.06995	4.2
119.08546	5.3
121.06479	2.4
121.10120	6.0
125.06025	1.9
129.10262	1.0
133.10129	1.8
135.07990	2.4
135.11671	28.5
137.05930	2.4
139.07536	1.7
145.10100	16.9
153.12737	1.4
156.13832	2.2
163.11163	42.7
164.11525	1.4
181.12207	7.5
184.07309	1.4
189.03412	1.0
209.11769	1.0
214.66653	0.8
220.98647	1.0
227.12753	59.7
283.15369	100.0
284.15781	1.9
301.16440	2.5
303.04938	4.0
304.05334	7.0
319.04422	1.5
381.05878	0.9
436.20166	2.5
449.05524	1.0
462.36682	0.9
463.09940	1.5
480.08746	1.9
480.18967	6.9
480.37936	1.6
481.16812	2.5
507.18964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.6
55.01863	15.9
55.05505	38.7
57.03424	45.8
57.04010	3.0
57.07066	4.7
57.96232	2.8
65.03925	6.1
67.05493	92.2
69.03416	62.6
69.07059	27.3
69.93539	4.8
69.93948	12.5
71.01338	6.6
71.04978	12.5
73.02896	10.8
75.04459	3.8
79.05475	66.4
81.03401	44.2
81.07042	100.0
83.04967	18.1
83.08602	15.8
85.02887	35.8
85.06527	5.5
87.04437	7.2
91.05460	70.6
93.07028	87.6
95.04938	26.9
95.08585	64.3
96.00809	3.0
97.02871	21.5
97.06522	10.4
97.10162	7.9
99.04439	19.1
99.08095	5.6
99.90611	2.9
101.02338	3.5
103.03940	11.4
105.07012	68.9
107.04929	12.2
107.08566	38.2
107.86609	3.1
109.02866	25.0
109.06477	15.6
109.10134	27.8
111.04430	11.2
111.08076	8.2
115.03904	3.1
115.05410	5.0
117.07005	32.5
119.08551	50.2
121.06472	12.4
121.10130	36.0
123.04424	4.8
123.08106	6.4
123.11699	13.2
125.05916	3.0
125.09551	4.6
127.03899	25.0
128.06218	7.3
129.05470	10.6
129.06955	20.3
130.07768	3.2
131.08542	47.0
133.06467	10.8
133.10112	34.8
135.08029	9.4
135.11636	21.7
137.05984	2.9
137.09586	6.9
141.06955	3.5
142.07822	5.3
142.73381	3.2
143.08565	19.7
145.04955	6.1
145.06450	7.1
145.10107	31.4
147.08040	10.7
147.11684	30.3
149.09624	9.9
149.13240	20.1
151.07530	3.8
155.08571	9.3
157.10054	15.6
159.08020	5.6
159.11629	25.4
161.09560	5.7
161.13202	14.0
163.11162	4.3
165.12720	9.2
169.10168	10.8
171.07974	3.9
171.11644	15.5
173.09639	6.8
173.13243	18.7
175.11198	7.6
175.14859	8.5
177.12727	4.5
181.08485	3.8
181.10127	6.4
183.06461	8.5
183.08008	3.4
183.11729	7.4
185.09634	6.7
185.13245	13.4
187.11180	5.1
187.14821	8.1
193.12199	5.1
197.13301	6.6
199.11165	3.5
199.14839	8.7
201.07465	5.2
201.12753	6.9
201.16562	3.0
203.14359	3.6
207.13808	3.4
209.13211	6.4
213.16331	3.7
217.15701	3.6
223.14746	3.0
259.17102	4.1
259.20462	7.7
261.22113	12.5
267.15897	5.2
273.22104	5.8
285.22211	6.8
301.21555	4.5
303.23053	7.3
315.23157	7.0
323.23401	4.7
327.23160	8.2
341.24734	8.4
345.24295	8.9
351.23145	9.2
359.25815	4.2
369.24207	22.5
387.25351	14.4
419.27847	3.8
425.26901	5.1
443.27866	19.1
461.29013	32.7
479.29947	62.8
480.30353	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
51.08517	2.9
53.03931	6.5
55.01863	15.3
55.05502	36.1
55.47101	2.8
56.96551	11.0
57.03425	18.5
57.07063	9.5
60.51625	3.8
61.02914	5.3
65.03921	4.1
67.05496	82.4
68.05831	3.2
69.03416	16.5
69.06806	2.5
69.07064	27.6
69.62127	5.3
69.62540	23.3
71.04993	9.6
71.08617	9.1
73.02893	7.6
79.05482	71.5
81.03423	24.7
81.07043	100.0
83.04969	13.3
83.08611	18.6
85.02899	9.1
85.06522	3.8
91.05468	62.1
93.07030	67.1
95.04957	23.9
95.08591	49.9
97.02890	8.1
97.06522	11.5
97.10155	6.6
98.97582	21.1
99.04431	3.3
99.08073	4.5
102.20889	3.2
105.07011	51.9
107.04931	10.5
107.08594	34.7
109.06490	6.7
109.10143	18.5
111.04407	6.5
111.08076	5.2
112.99161	5.0
112.99995	6.5
115.05461	6.1
116.98622	10.8
117.04586	2.8
117.06998	36.1
119.04908	3.7
119.08565	34.4
121.06504	8.1
121.10131	20.1
123.04401	5.1
123.08058	6.3
123.11686	11.4
123.14858	2.9
125.50820	3.5
128.06216	9.4
129.05437	5.0
129.07018	25.4
131.00143	8.6
131.08549	52.2
133.06458	17.4
133.10109	27.6
135.08002	6.1
135.11673	13.3
137.09599	5.0
141.06964	10.4
142.07770	6.8
143.08548	27.5
145.06450	21.5
145.10094	30.7
147.08029	11.2
147.11636	19.6
149.01254	7.4
149.09583	5.5
149.13213	15.2
151.11134	6.0
153.06998	4.7
155.08472	18.9
156.09372	4.3
157.06482	9.6
157.10098	19.7
158.99643	9.4
159.08028	17.0
159.11647	19.0
161.09634	7.9
161.13228	12.3
163.11154	3.9
163.14784	6.4
165.12778	4.4
167.08502	6.0
169.10103	12.1
171.08025	13.6
171.11694	15.8
173.09601	8.0
173.13235	14.7
175.11191	7.0
175.14781	6.6
177.00731	12.4
177.12843	4.3
179.08551	3.7
181.10051	5.8
183.08006	8.2
183.11696	14.6
185.09633	10.1
185.13289	14.3
187.11156	8.2
187.14857	6.1
193.10048	4.7
193.12225	6.4
195.11765	4.1
195.13828	3.8
197.13234	7.7
199.11116	5.5
199.14835	4.8
201.09042	4.1
201.12747	6.3
201.16345	4.4
203.14287	4.2
209.13345	4.9
211.11205	4.8
211.14894	7.2
213.12663	8.9
215.14297	5.1
231.13748	4.9
240.25620	3.2
253.16063	3.9
256.08841	3.1
257.15179	5.7
261.22095	5.2
275.20123	4.0
277.13730	23.2
277.63831	4.5
279.23279	7.0
293.05560	3.7
293.21014	18.1
297.22241	4.5
299.23651	4.9
303.23233	3.7
309.22110	5.3
315.23041	7.7
323.23505	4.4
327.23132	17.6
341.24689	8.6
351.22998	19.1
357.24088	4.0
367.24695	10.1
369.24170	36.4
387.25220	18.3
389.26886	7.5
401.26257	7.3
405.25992	3.8
415.28589	4.0
419.27817	25.3
425.26831	7.5
431.27963	21.0
443.27979	78.8
461.28876	53.6
479.30038	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01861	4.8
55.05504	21.6
56.96561	1.8
57.03435	8.5
57.07061	1.4
61.02929	1.7
65.03962	1.8
67.05499	37.0
69.03415	3.8
69.07062	20.2
71.04976	3.5
71.08620	19.8
71.71663	2.4
79.05487	27.2
81.03398	6.5
81.07044	31.9
83.04977	6.7
83.08611	7.9
83.49012	1.3
85.02879	3.8
85.06513	1.8
91.05476	20.6
93.07032	27.3
95.04960	9.5
95.08581	14.8
97.02879	3.7
97.06515	4.8
97.10165	7.7
99.08082	13.6
105.07019	11.9
107.04945	4.3
107.08575	17.1
109.06513	5.0
109.10150	7.1
111.04436	2.3
111.08076	2.8
113.00007	34.2
117.07008	5.8
119.08580	9.6
121.06477	5.2
121.10130	4.9
123.08048	2.8
123.11710	2.8
125.09618	4.4
129.06984	3.1
131.08542	6.4
133.06554	1.4
133.10127	12.0
135.07938	1.4
135.11659	10.2
139.11136	2.0
141.06929	1.8
143.08534	1.8
145.10088	4.4
147.07970	1.5
147.11649	4.5
149.09641	1.6
149.13245	6.1
151.11177	5.7
156.01268	1.5
159.11656	4.1
161.09665	3.3
163.11116	3.6
165.12732	2.4
167.10632	3.9
169.02631	4.8
175.11092	2.4
177.12827	3.2
187.03693	2.8
188.04817	1.7
189.09209	1.3
189.11127	2.3
193.12202	2.2
195.13667	3.2
203.03496	1.5
211.13277	2.1
227.12637	3.1
247.20403	2.1
267.08990	1.7
267.15692	3.2
275.20081	11.0
285.10028	2.3
293.21078	100.0
294.21521	3.3
349.16937	3.0
349.23676	4.7
350.64008	1.5
365.15500	1.6
367.17734	3.1
367.24750	53.2
368.25070	1.7
369.24268	2.2
387.25250	2.1
443.21863	4.2
461.22678	3.1
461.28836	3.2
479.29742	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	479.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45049	1.9
54.59618	1.8
56.04754	3.6
56.05028	62.4
57.03437	2.1
58.06594	12.2
61.00848	3.2
61.01145	46.1
69.03400	2.6
70.02942	4.0
70.06580	6.5
70.23486	7.0
70.27450	2.0
72.08159	3.1
73.02915	3.4
74.06071	100.0
82.06573	2.7
84.04477	12.2
84.36430	1.8
85.02898	5.4
86.09693	35.9
88.03965	5.7
95.04890	1.9
97.02886	4.6
100.07593	2.7
101.07128	4.0
104.05314	78.7
108.04463	7.0
110.06019	4.9
110.07172	2.0
121.02847	7.1
122.03194	2.4
124.11158	2.0
125.07113	6.9
126.05497	23.2
127.08651	3.5
129.06596	3.0
130.04984	4.1
130.06810	2.5
130.08594	2.0
132.10175	23.4
133.19771	1.7
137.02304	2.6
138.05464	2.4
141.01831	2.1
141.13905	4.3
142.12280	2.5
142.13437	1.9
144.06552	21.6
145.06046	2.2
153.06575	4.8
154.04991	3.5
156.04762	5.8
158.11774	3.5
163.88286	2.0
164.09268	2.2
169.13345	7.8
171.07629	4.7
172.80190	2.1
173.07439	2.5
174.05817	20.2
176.92720	1.9
187.14400	12.3
189.08629	10.6
197.00911	2.1
197.12862	6.8
201.06880	20.7
202.05281	4.7
215.13884	41.1
217.04968	4.2
217.08189	18.8
219.07957	16.6
233.14937	74.4
234.15269	2.1
243.13501	3.3
245.04527	4.6
246.81276	2.1
247.07477	48.7
255.06659	2.2
257.04483	3.5
259.11108	2.3
271.06042	2.6
271.10867	2.0
272.03125	3.8
272.05829	2.7
273.03925	18.5
274.04642	3.0
277.03238	3.5
284.15958	4.0
285.03806	3.8
288.05142	4.0
289.03262	8.9
296.05731	3.3
297.03906	2.8
298.04507	4.5
299.05255	2.5
300.05170	9.0
301.03424	4.2
302.04150	8.3
302.11575	2.7
303.04907	4.0
312.05072	6.8
314.06799	4.7
315.04953	3.1
317.11356	3.1
318.06110	4.5
319.04489	3.5
330.06097	6.4
330.11176	6.5
330.16553	18.6
342.06085	10.9
348.12216	25.6
348.17038	4.4
360.07001	10.9
366.05933	2.6
366.99472	2.5
367.04175	2.5
378.05780	2.8
383.12878	2.6
384.07190	6.8
396.07013	3.6
397.19025	2.4
408.07074	4.6
414.07965	2.9
415.19971	2.6
426.08051	4.0
443.19788	3.0
444.08942	3.3
461.15659	4.5
461.20755	8.1
462.10214	6.8
479.21820	3.2
480.11328	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	479.0816
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01840	0.1
61.02910	0.1
63.94586	0.1
64.32531	0.1
65.97746	0.1
68.99748	0.3
69.03383	0.2
69.56088	0.1
69.93131	0.2
69.93547	0.4
70.87436	0.1
71.01318	0.2
72.08118	0.1
73.02881	0.2
79.05455	0.1
81.03345	0.1
85.02901	0.7
86.09652	0.2
89.03880	0.2
91.05448	0.1
95.01259	0.1
97.02857	0.2
107.04938	0.2
109.02866	0.1
113.02336	0.2
117.03300	0.3
123.00763	0.7
125.17873	0.1
125.68413	0.1
127.03918	0.1
129.37390	0.1
135.04396	2.5
137.02339	1.1
141.01788	0.2
141.96207	0.1
153.01773	0.3
155.04742	0.1
161.02284	0.3
169.01300	3.6
173.05977	0.1
185.05756	0.1
205.04987	0.1
229.04936	0.3
241.04866	0.1
247.06056	0.2
257.04431	0.8
261.03836	0.3
271.05927	0.1
274.04636	0.3
285.03870	0.7
302.04175	1.2
303.04938	100.0
304.05286	2.4
317.06537	4.2
317.09595	0.1
317.10397	0.2
329.10004	0.2
359.11624	0.1
479.08163	11.1
480.08417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69156	9.9
62.54702	8.7
71.69810	10.9
94.93011	29.9
95.71358	9.7
99.18562	8.7
112.89571	45.2
114.89349	13.8
136.93983	97.6
148.94023	30.2
166.95021	61.6
178.09149	10.5
196.96159	16.1
202.89061	54.2
214.99893	12.6
248.89557	34.1
256.98355	22.0
284.83640	18.7
316.53229	10.2
344.85855	18.2
381.07767	100.0
419.03479	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	479.0812
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.70182	0.4
57.03410	1.4
68.99773	1.0
70.82703	1.5
71.01332	1.8
73.02898	3.4
73.64543	0.5
75.04472	0.4
85.02893	8.4
93.03365	0.4
93.83049	0.4
95.01296	1.1
95.04976	0.7
95.10527	0.4
97.02884	0.6
99.00797	1.0
103.03925	0.6
103.05467	0.4
111.00780	1.3
113.02344	3.7
121.02840	1.2
131.03366	1.9
135.04466	0.4
137.02318	3.4
141.01807	1.8
149.02263	0.4
153.01810	4.1
157.28673	0.4
159.02869	1.5
163.03873	0.6
165.01854	2.1
173.05975	0.8
183.02861	0.7
201.05434	1.7
214.22964	0.4
228.04196	0.6
229.04892	4.7
247.06010	0.5
257.04337	2.5
274.04633	1.0
285.03937	1.7
303.04947	100.0
304.05154	2.8
366.95337	0.5
394.60892	0.5
399.21814	0.5
483.39499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05502	4.9
57.09994	0.5
62.06071	0.7
67.05488	6.2
69.07056	5.4
70.49189	1.4
70.49585	1.0
72.04520	0.5
79.05463	1.9
81.07040	5.6
83.08598	2.0
85.05283	1.4
86.06004	0.7
91.05431	0.7
93.07018	1.5
93.76288	0.5
95.08584	4.0
97.07603	0.6
97.10149	1.2
98.06039	9.5
98.21375	0.8
98.98456	1.5
105.07006	1.4
107.08549	1.1
109.10131	0.8
112.07588	1.1
119.08566	0.8
121.10149	0.7
147.11671	0.6
154.12291	0.6
172.43115	0.6
196.16922	0.5
259.15442	0.5
266.80618	0.6
301.24997	0.5
306.27872	100.0
307.28195	2.8
405.76642	0.6
475.33536	0.6
478.28848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2921
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.32794	0.4
55.01847	0.8
55.05270	0.5
55.05503	5.9
57.03436	0.4
57.07043	0.7
58.61397	0.4
62.06063	1.7
67.05178	0.7
67.05490	6.3
69.07053	5.9
79.05467	2.0
80.45187	0.5
81.07037	5.7
83.04998	0.5
83.08622	2.7
85.05256	1.8
85.06019	0.4
86.06053	0.5
91.05453	0.8
93.07026	1.8
95.08588	3.8
97.10132	1.0
98.06039	9.2
98.98453	2.0
105.07002	0.9
107.08576	0.9
109.10143	1.7
112.07562	1.6
119.08567	0.5
123.11772	0.5
133.10069	0.5
144.40729	0.4
154.12242	0.6
168.13774	0.7
175.14716	0.4
196.16959	0.7
197.24132	0.4
208.16942	1.0
236.20071	0.5
306.27853	100.0
307.28134	3.4
324.28635	0.5
337.27353	1.5
425.76001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.4
54.01003	2.5
55.01848	10.0
55.05238	3.0
55.05503	40.6
56.96591	2.8
57.03429	13.8
65.03932	5.7
67.05496	87.4
69.03416	3.7
69.07059	28.9
71.04964	6.3
71.70827	3.2
77.03920	2.4
79.05019	4.1
79.05478	67.9
81.03404	3.8
81.07045	100.0
83.04962	8.6
83.08612	17.1
84.57775	2.0
85.02882	3.1
85.06519	8.0
91.05464	94.8
93.07032	73.7
95.04959	18.0
95.08592	60.8
97.06491	11.2
97.10146	7.7
99.08078	2.3
103.05428	2.6
105.07013	88.0
106.07306	2.0
107.04942	11.9
107.08578	34.6
109.06474	9.9
109.10143	20.1
111.08037	5.0
113.05968	2.1
115.05432	8.6
116.06192	4.0
117.07008	42.5
119.08568	57.7
121.06514	11.8
121.10114	27.6
123.08008	6.7
123.11710	3.9
125.09578	4.3
127.07510	3.6
128.06215	8.1
128.98593	2.1
129.06990	25.6
130.07799	4.4
131.08548	67.8
132.62717	2.5
133.06462	5.2
133.09187	2.7
133.10120	32.1
135.08000	7.2
135.11655	16.0
137.09584	5.4
139.11092	2.8
141.06978	8.8
142.07710	3.2
143.08540	27.5
145.06473	7.7
145.10104	39.3
147.08002	7.8
147.11687	14.4
149.09581	7.4
149.13283	6.0
155.08543	12.4
157.10106	20.0
159.07996	5.6
159.11639	21.0
161.09569	6.5
161.13248	4.1
163.11163	8.4
163.14783	3.0
167.08591	4.8
169.10098	13.5
171.11655	16.8
173.09587	3.9
173.13277	11.8
175.11182	2.5
177.12747	4.9
181.10097	6.4
183.11676	10.1
185.13199	10.8
187.11070	4.1
187.14821	6.5
189.00592	2.3
189.12741	3.0
189.16406	2.5
191.14320	3.3
193.10136	2.7
195.11711	6.1
197.13199	9.2
199.11153	4.4
199.14838	6.4
201.12694	4.6
205.15820	4.4
209.13335	4.6
211.14771	6.4
213.12744	6.0
215.14360	4.4
217.15727	3.1
223.14922	4.3
225.16388	3.7
227.12628	11.6
233.15309	7.5
235.16972	2.5
237.16356	3.5
247.16730	2.9
259.16739	3.3
261.18414	4.1
273.18234	2.4
304.26151	2.3
305.26523	14.0
307.23990	3.0
325.21707	2.8
325.25113	10.1
335.23550	8.7
343.26474	13.2
349.21399	2.4
353.24686	35.1
357.27966	3.0
365.15442	2.4
367.18289	2.4
367.22507	3.1
371.25781	42.4
385.27563	14.1
389.26724	11.6
403.28455	41.8
423.32523	5.1
427.28662	2.5
441.33356	3.0
445.29495	17.0
477.26968	2.7
477.32880	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	477.2838
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
55.01858	11.6
55.05504	27.6
57.03419	17.6
57.07054	3.8
61.02900	3.3
62.71449	2.4
65.03919	5.7
65.99016	2.8
66.13701	2.9
67.05495	45.8
67.29567	2.4
69.03416	13.0
69.07059	19.1
70.32233	10.9
70.32603	5.1
71.01337	3.6
71.04973	6.9
73.02884	4.2
79.05481	41.8
81.03394	17.8
81.07042	43.0
83.04990	6.6
83.08593	14.0
85.02860	6.5
85.06528	3.3
91.05463	53.5
93.07030	41.1
95.04953	19.8
95.08587	30.3
97.02879	9.6
97.06528	7.9
97.10135	6.1
99.04433	4.0
103.03931	6.6
103.05431	4.1
105.07018	45.9
107.04946	11.2
107.08578	25.4
109.02898	2.7
109.06502	6.4
109.10143	10.8
111.04423	5.3
115.05423	7.0
116.06170	3.2
117.07003	31.8
119.04858	3.8
119.08556	26.5
121.06502	9.2
121.10113	16.7
123.08070	6.0
123.11716	4.3
125.09605	4.9
127.03932	4.3
128.06197	13.7
129.05472	4.0
129.06992	35.5
130.07765	6.4
131.04909	5.0
131.08551	41.0
133.06441	7.7
133.10085	16.3
135.08075	8.2
135.11694	11.7
137.05945	2.8
141.06966	19.6
142.07747	11.0
143.08540	43.8
144.05746	3.8
145.06470	16.5
145.10098	37.5
147.08038	9.8
147.11664	13.3
149.09547	4.0
149.13222	4.5
153.06952	7.2
154.07782	8.2
155.08519	25.0
156.09346	4.9
157.06487	8.6
157.10150	28.7
159.08092	14.3
159.11655	21.1
161.09583	8.7
161.13249	3.9
163.11183	9.3
165.06998	8.7
166.07767	3.8
167.08548	14.6
168.09265	5.6
169.06491	4.5
169.10085	26.4
171.08052	15.0
171.11642	23.7
172.08788	2.8
173.09564	15.2
173.13232	11.8
175.11247	5.3
178.07751	3.4
179.08511	7.1
181.06435	3.3
181.10120	16.5
182.10973	2.9
183.08054	12.2
183.11618	22.0
185.09615	13.3
185.13266	11.3
187.11165	8.6
191.55226	2.8
193.10118	6.7
195.08035	4.7
195.11618	16.0
196.08810	2.8
197.09612	9.1
197.13239	16.2
199.11188	9.3
199.14827	4.0
201.12787	7.6
205.10168	4.1
207.11667	6.9
209.09607	8.0
209.13264	10.3
211.11133	7.8
211.14883	6.0
213.12744	6.2
213.16431	5.0
219.11717	3.9
221.09737	3.0
221.13194	8.0
223.11201	4.9
223.14856	5.5
225.12770	9.1
227.12547	12.9
233.15211	3.5
237.12781	7.2
239.14343	5.0
239.18163	3.9
241.12154	3.4
251.14235	4.5
255.84344	3.0
257.19025	3.3
259.20706	3.3
265.15842	4.3
295.20486	8.1
297.21973	5.7
307.20270	6.6
311.19977	5.9
313.21704	8.8
321.21957	8.4
325.21564	13.4
337.21854	5.3
339.23129	11.7
343.22733	8.7
349.21426	20.8
355.22702	4.3
357.24084	8.8
367.22610	39.8
373.23779	8.0
385.23624	25.0
387.25171	8.4
399.25253	4.9
403.24634	8.3
413.26703	3.9
414.62161	3.0
417.26288	15.9
423.25171	8.9
429.26331	9.8
441.26364	60.7
442.26752	4.0
459.27316	61.8
477.28415	100.0
478.28583	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	477.2839
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.03923	5.3
55.01857	6.9
55.05505	23.4
56.96571	2.2
57.03425	11.1
57.07064	3.4
58.79601	2.2
61.02896	2.9
65.03926	4.6
67.05495	37.6
69.03416	6.6
69.07059	19.6
71.01345	2.4
71.04977	5.9
71.71491	3.6
73.02903	5.1
79.05480	36.7
81.03399	19.6
81.07040	48.4
83.04971	5.7
83.08614	11.8
85.02882	3.8
85.06522	2.7
91.05466	41.5
93.07025	35.1
95.04945	17.2
95.08595	28.9
96.27148	2.1
97.02860	7.0
97.06514	3.8
97.10165	3.7
98.97565	3.7
99.04439	2.3
103.03953	3.4
103.05446	2.1
105.07011	31.5
107.04934	10.7
107.08577	23.5
109.06507	4.4
109.10139	9.6
111.04436	3.7
111.08083	3.1
112.99973	3.6
114.66296	2.1
115.03910	2.4
115.05431	4.7
117.07008	26.5
119.04986	2.0
119.08560	22.9
119.49733	1.7
121.06490	6.4
121.10129	14.1
123.04427	4.7
123.08060	3.6
128.06203	10.3
129.05508	1.9
129.06969	33.7
130.07770	2.4
131.04897	3.9
131.08554	33.1
133.06488	5.7
133.10109	17.3
135.08035	3.5
135.11693	14.8
137.09637	2.2
141.06966	15.5
142.07739	8.6
143.08553	28.5
145.06471	14.8
145.10089	30.4
147.08031	7.4
147.11673	8.1
149.01138	3.5
149.09596	3.0
149.13260	6.7
151.07578	2.4
153.07013	4.1
154.07770	6.6
155.08528	23.1
156.09367	3.7
157.06464	9.1
157.10118	24.8
158.99643	2.4
159.08064	8.8
159.11646	19.4
161.09521	2.8
161.13307	3.4
163.07562	2.5
163.11136	10.3
165.06966	8.2
166.07806	4.7
167.08533	12.9
168.09325	5.6
169.06448	4.5
169.10088	25.8
171.08020	11.2
171.11687	15.0
173.09544	10.3
173.13257	7.8
175.11099	2.7
177.00673	2.8
177.09019	2.1
178.07675	2.5
179.08563	6.2
181.06415	3.2
181.10104	15.5
182.10951	2.2
183.08104	9.4
183.11668	21.6
185.09592	14.6
185.13219	14.1
187.07539	3.9
187.11212	6.7
187.14813	3.1
192.09325	3.1
193.10101	5.1
195.07991	7.1
195.11702	11.2
197.09666	8.9
197.13235	9.5
199.11192	9.2
199.14842	5.3
201.12694	3.5
205.10068	2.5
207.11703	8.1
209.09607	5.5
209.13335	9.6
211.11176	8.2
211.14835	6.2
213.09167	3.9
213.12723	8.2
215.10698	2.4
215.14355	2.8
219.11766	3.6
221.13153	4.5
223.11148	5.1
223.14745	2.1
224.11998	2.8
225.12761	5.5
225.16287	2.2
227.10770	3.9
227.12669	13.8
227.18161	2.1
229.12161	2.6
237.12775	5.0
239.14319	5.7
241.15924	2.4
251.14265	3.3
255.17659	2.1
259.20358	3.3
271.20612	3.9
271.33749	2.0
273.15085	2.1
277.21707	2.9
281.18945	2.6
283.20547	3.3
284.12717	3.5
295.20523	5.5
297.22177	3.9
299.19983	3.0
307.20514	5.7
313.21570	4.8
321.22128	5.6
323.19824	2.4
325.21652	6.4
331.20248	3.9
337.21606	5.7
339.23010	10.4
349.21478	16.6
355.22299	2.6
357.24265	4.5
367.22610	32.1
369.05618	2.0
373.23657	5.3
375.25305	2.8
385.23663	23.4
387.25366	7.2
399.25198	4.9
403.24954	4.3
413.27039	3.7
417.26343	19.3
423.25113	4.8
429.26233	15.5
441.20575	4.3
441.26340	57.9
442.26715	2.7
459.27377	48.6
460.27805	2.5
477.28400	100.0
478.28760	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	477.284
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
55.01855	11.9
55.05270	3.0
55.05504	31.3
57.03421	21.8
57.07067	5.8
58.97744	2.5
67.05493	39.8
69.03429	16.7
69.03731	2.8
69.06812	2.5
69.07063	26.1
70.04127	18.5
71.01349	3.8
71.04962	5.3
73.02901	6.3
75.04478	3.1
75.26488	2.9
79.05482	37.2
79.48157	2.7
81.03410	22.9
81.07043	45.5
83.04962	12.2
83.08603	9.4
85.02883	8.7
91.05465	55.2
92.92719	2.3
93.07037	38.2
95.04957	19.0
95.08589	28.2
97.02863	8.4
97.06490	6.2
97.10153	6.8
98.21415	3.4
99.04445	4.5
101.08765	2.7
105.07011	44.3
107.04943	11.1
107.08578	22.5
109.02840	4.6
109.06506	6.8
109.10136	8.7
111.04396	5.0
115.05443	7.1
117.06994	38.0
119.04915	4.8
119.08560	32.1
121.06498	5.9
121.10113	8.1
123.08087	3.5
123.11686	4.7
127.03893	4.7
128.06229	16.2
129.05499	5.2
129.07002	42.4
130.07732	3.5
131.04883	5.7
131.08549	47.8
133.06497	8.0
133.10104	16.6
135.08086	3.7
135.11655	8.2
137.06000	2.9
137.09579	3.5
140.78285	2.7
141.06979	18.3
142.07765	10.6
143.08563	42.9
144.09280	3.6
145.06435	15.4
145.10086	32.1
147.07971	6.5
147.11658	13.1
149.05991	3.4
153.06955	10.7
154.07773	7.6
155.08530	37.7
156.09341	6.2
157.06451	11.8
157.10103	35.9
159.08002	17.0
159.11684	18.8
159.60541	2.8
161.09641	5.2
161.13263	5.4
163.07402	3.5
163.11137	2.9
165.07002	10.7
165.94246	2.9
166.07777	6.8
167.08524	25.4
168.09319	6.6
169.05083	3.2
169.06369	5.9
169.10112	34.1
170.07326	5.1
171.08121	14.7
171.11670	26.5
173.09605	15.6
173.13284	13.3
175.11096	5.1
177.12807	3.6
179.08611	8.8
180.09247	3.5
181.06534	3.1
181.10075	23.1
183.08073	10.1
183.11682	22.5
185.09605	16.0
185.13216	17.1
187.07561	5.7
187.11205	11.0
187.14745	4.0
189.12796	4.6
193.10158	8.5
195.08049	6.9
195.11655	15.7
197.09644	10.9
197.13188	18.7
199.07558	4.1
199.11209	11.0
199.14856	9.5
201.09106	4.1
201.12704	5.4
205.10085	5.7
207.08127	3.8
207.11621	6.5
209.09644	7.5
209.13217	12.7
211.11128	9.2
211.14751	4.5
212.93478	2.7
213.09145	4.7
213.12715	10.9
215.14272	3.1
219.11896	4.1
221.13281	3.4
222.30574	2.7
223.11313	5.9
223.14838	5.9
225.12730	8.1
225.16293	3.1
229.12343	4.2
235.14601	3.2
237.12700	4.4
237.16476	3.0
251.14267	5.3
253.15703	3.7
255.17476	3.6
259.20456	3.3
271.20419	6.0
276.12845	3.3
277.21570	3.3
281.18884	3.2
283.20636	3.4
283.71371	3.1
285.22110	5.0
295.20642	7.1
297.22009	7.0
299.19684	4.6
301.21594	5.9
307.20557	5.3
308.85736	2.8
311.19974	4.2
313.21533	7.5
315.23404	4.5
321.22159	5.3
325.21524	12.1
331.20239	3.1
337.21490	5.7
339.23285	12.5
341.21097	3.7
343.22574	7.1
349.21399	24.7
355.22723	3.6
357.24203	6.3
361.23779	3.9
367.22632	44.3
373.23740	4.1
385.23639	33.0
387.25211	7.5
399.25433	7.6
403.24576	9.6
417.26495	16.2
423.25189	8.6
429.26352	16.0
441.26318	79.2
442.26724	4.6
459.27307	67.5
460.27615	4.5
477.28412	100.0
478.29065	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.0
57.07067	0.9
58.39502	0.9
62.06076	2.2
65.17308	0.9
67.05145	1.3
67.05497	18.4
69.07066	5.6
69.51771	4.8
69.52179	3.0
79.05496	6.6
81.07045	14.8
83.08607	1.9
85.05282	3.2
91.05457	4.6
93.07017	7.9
95.04942	1.8
95.08592	8.3
98.06044	15.1
98.98450	2.5
105.07001	3.4
107.08590	4.3
109.10133	4.0
112.07561	1.5
117.07001	1.1
119.08549	2.1
121.10101	1.9
131.08531	2.5
133.10121	2.1
135.11691	1.6
140.10602	1.1
145.10138	1.5
147.11673	1.6
158.33211	0.9
159.11789	1.1
200.91685	0.8
208.17058	1.3
240.01265	1.0
304.26318	100.0
305.26559	4.2
460.26105	0.9
477.28122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33557	0.6
55.01865	2.0
57.03427	26.5
59.04990	6.2
60.04521	2.8
61.02916	2.4
69.03419	83.9
70.03758	0.7
71.01338	0.8
71.22475	1.5
73.02916	2.3
75.04464	2.8
81.03423	3.3
84.04499	0.9
85.02891	64.5
87.04454	62.7
91.03935	0.7
91.05455	0.7
95.04945	0.9
97.02877	67.3
99.04447	1.7
103.03943	1.3
105.07014	7.2
109.02863	3.1
111.04424	1.3
115.03913	96.1
116.04275	1.2
124.03925	1.1
124.05196	12.4
127.03892	6.2
129.06984	1.1
133.04944	100.0
133.06377	6.4
137.05954	16.5
139.03920	0.9
140.14465	0.7
144.06573	3.2
145.04945	10.2
145.06183	1.2
150.07610	10.3
151.05957	0.8
157.06505	1.5
161.09662	0.8
162.07672	0.9
163.05965	1.3
165.09091	38.9
169.04900	2.2
180.08665	2.3
187.05916	1.1
189.09048	4.3
193.46895	0.8
201.09035	4.1
203.10695	0.9
207.10068	2.5
212.90314	0.7
222.09480	0.8
223.05989	0.9
231.10115	2.5
241.06958	1.4
243.10091	2.9
257.76813	0.8
259.08032	3.1
261.11160	1.7
268.08063	0.7
269.71561	0.8
277.09180	2.3
295.10382	1.1
336.18634	0.7
376.96625	0.7
395.23001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11252	1.7
51.31020	1.7
53.39527	1.7
55.05488	3.1
56.05036	2.6
57.03430	12.3
58.99587	2.2
59.04996	2.5
59.16220	1.8
60.04514	4.5
61.02904	2.3
69.03418	53.7
69.07070	2.4
70.06565	9.1
71.69466	3.0
72.08157	4.5
76.02216	6.4
81.03398	4.7
84.04488	4.9
84.08128	4.7
85.02889	36.3
86.09698	14.5
87.04456	31.4
87.10000	2.4
88.51345	2.2
91.05466	7.4
95.04985	2.0
95.08608	2.1
97.02873	41.4
110.07143	2.4
111.04388	2.0
114.56094	1.9
115.03905	60.9
116.01639	3.5
119.04908	17.7
123.04470	2.2
123.08063	4.3
127.03864	5.4
129.10231	4.9
130.05006	2.2
133.04947	56.3
145.04822	4.6
147.04381	100.0
150.07617	16.1
154.08536	2.3
161.05928	2.4
162.02158	4.5
165.05457	64.9
165.06812	4.0
168.06511	4.2
171.04419	3.6
179.04842	2.5
179.15135	2.0
189.05437	10.0
207.06493	13.9
212.36212	1.8
229.34216	1.9
243.06529	3.3
246.14279	2.2
277.09482	2.1
279.08542	6.0
326.06552	2.9
338.95688	3.7
342.95325	3.9
346.98196	2.2
356.96844	16.8
370.94751	3.5
374.97952	8.2
392.99191	10.2
416.98865	7.8
450.83368	2.1
462.61224	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	475.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01861	0.9
55.05502	2.2
57.03403	0.3
57.07061	0.3
65.03921	0.7
67.05492	6.2
69.03395	0.7
69.07059	2.4
69.48158	2.1
69.48584	0.9
70.06576	0.6
71.04976	0.7
71.08618	0.3
71.97792	0.3
72.08112	0.4
79.05473	3.2
81.03408	2.9
81.07047	8.5
81.07534	0.4
83.04954	0.9
83.08600	1.5
84.04476	0.6
85.02872	0.5
86.09691	0.3
88.47822	0.3
91.05482	2.9
91.94049	0.3
93.07034	3.2
95.04961	1.6
95.08587	6.3
97.02862	0.6
97.06493	0.9
97.10158	0.9
101.06006	0.7
103.05431	0.4
105.07006	1.9
107.04933	1.6
107.08578	3.2
109.02846	0.7
109.06470	0.4
109.09394	0.5
109.10138	7.2
110.07162	0.3
111.08101	0.5
115.05412	0.4
116.23466	0.2
117.06996	1.2
119.08563	4.1
121.06557	0.7
121.10122	1.7
122.07284	1.7
123.08038	0.4
123.11652	1.4
125.05999	0.3
125.09597	0.5
127.11172	0.5
129.06949	1.1
131.08517	1.4
133.10083	0.9
135.04349	0.3
135.08023	0.8
135.11656	1.3
137.06029	0.3
137.09595	10.9
137.13248	0.6
139.11124	0.4
141.06975	0.4
141.12682	0.3
143.08504	0.6
145.06412	0.4
145.10071	1.3
146.05945	0.3
147.04384	0.3
147.07941	0.5
147.11635	0.6
149.09624	2.7
149.13202	0.8
151.07500	0.8
151.14740	0.8
153.09027	0.4
157.10062	0.6
159.05910	0.3
159.08064	0.3
159.11664	0.7
161.05942	0.6
161.09599	0.4
161.13228	0.4
163.11157	1.3
163.14783	0.4
165.09088	100.0
166.09505	1.6
167.07011	0.7
167.14316	0.5
169.10114	0.3
169.58760	0.3
173.09589	0.6
175.07503	0.4
175.11125	0.7
177.09093	1.5
177.12811	0.4
177.16414	0.4
179.10629	0.6
181.12253	0.3
187.11220	0.5
189.09085	0.6
189.11224	0.4
189.12727	0.4
190.09903	0.7
191.10608	0.8
193.12206	0.3
201.12680	0.4
203.10695	1.1
205.12204	7.0
209.11604	0.4
217.12119	0.3
227.10817	0.4
227.12709	2.0
231.13808	0.4
249.14943	0.3
275.20093	0.3
289.14236	0.3
295.22556	0.8
323.25781	0.9
365.20932	0.6
383.22089	1.8
401.23010	0.7
429.33661	1.2
439.32047	0.4
457.25775	1.0
457.32626	0.6
475.26852	4.3
475.33401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06643	1.0
53.00306	1.3
53.03952	5.0
53.26707	0.9
55.01862	3.7
55.05503	10.4
57.03157	1.5
57.03431	22.3
57.07067	53.2
60.35130	1.1
61.02917	63.0
67.05490	19.8
69.03416	28.8
69.07057	15.0
69.45677	6.1
69.46105	5.2
71.01337	3.5
71.04976	3.5
71.07769	1.2
71.08619	36.8
73.02903	30.5
74.39671	1.0
75.04453	1.7
78.19747	1.1
79.05072	1.0
79.05484	6.9
79.68777	1.0
81.03403	18.0
81.07043	26.4
83.04961	3.5
83.08601	18.1
84.34232	1.0
85.02892	55.8
85.10168	20.4
87.04466	3.9
89.06014	2.3
91.03938	39.6
91.05469	4.7
93.07033	7.1
95.04956	2.4
95.08587	31.9
97.02878	51.5
97.10141	7.8
99.04436	9.6
99.11710	1.7
101.02371	14.5
103.03923	6.1
105.07023	3.6
107.08598	3.0
109.02847	11.3
109.10139	17.3
111.04425	1.3
111.11744	1.2
113.13242	1.2
115.03903	4.5
117.05505	2.5
117.06953	1.4
119.08582	1.4
121.10156	1.2
123.11684	7.0
125.13252	2.8
127.03893	25.4
129.05486	5.2
129.06981	2.0
137.13251	4.5
145.04948	7.3
146.64287	1.2
147.11642	1.6
149.13223	1.9
151.14839	2.1
159.06458	2.2
161.13246	1.8
163.90016	1.1
165.16426	1.6
171.06659	1.6
171.11716	1.9
183.06517	6.9
201.07553	5.4
207.13763	1.3
221.22697	2.8
239.23665	31.8
239.25981	2.1
241.73196	1.2
257.24698	3.9
277.00616	1.0
313.27301	100.0
314.27643	2.7
341.26950	4.5
355.28320	1.8
366.30209	1.2
421.28845	1.1
457.31366	3.4
475.32553	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	475.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01866	3.2
55.05505	8.3
55.27371	0.9
57.03429	18.7
57.07067	48.1
57.09238	0.9
61.02917	59.3
66.59032	1.0
66.93319	0.9
67.05497	17.0
69.03419	22.5
69.07058	11.9
71.01339	4.3
71.04989	2.9
71.08624	33.5
73.02515	2.0
73.02905	26.5
75.04463	1.5
79.05489	5.4
81.03404	17.8
81.07042	24.8
83.01310	1.1
83.04971	3.1
83.08602	15.4
85.02894	60.6
85.10172	16.8
87.04451	2.6
89.05998	1.6
91.03944	36.8
91.05478	2.9
91.43487	1.0
93.07004	5.2
95.04963	1.5
95.08591	31.8
97.02881	48.7
97.10149	7.9
99.04438	8.4
99.11687	1.5
101.02368	11.3
103.03909	5.7
103.07569	2.0
105.07012	2.1
109.02850	10.6
109.10143	16.0
111.11728	2.8
115.03907	5.7
117.05482	2.7
119.08602	1.3
121.10101	1.2
123.11692	6.5
123.51877	1.2
125.13277	1.7
127.03896	22.5
129.05481	3.5
129.06944	1.7
133.10124	1.2
137.05998	1.1
137.13226	3.2
143.08571	1.1
145.04964	7.6
147.11658	1.4
151.14795	1.9
159.06502	1.6
173.40292	1.2
177.01904	0.9
183.06555	4.2
201.07513	4.6
221.22667	1.7
239.23674	30.2
239.25978	1.8
257.24741	3.6
313.27325	100.0
314.27698	3.3
341.26987	1.9
355.28516	3.0
383.28320	1.0
397.29373	1.2
457.31787	5.0
475.32498	19.1
489.65076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01862	5.9
55.05505	25.2
57.03425	6.3
57.07047	3.0
57.48899	1.5
59.04980	1.4
65.03928	5.3
67.05495	97.4
69.03394	2.2
69.06690	1.5
69.07060	25.2
69.59294	11.8
71.01359	1.2
71.04983	4.9
77.01591	1.1
77.03909	1.8
79.05483	100.0
81.03419	9.6
81.07046	100.0
83.04968	18.6
83.08615	14.6
85.06525	5.5
91.05467	73.2
91.06043	3.0
92.18066	1.4
93.07033	93.3
95.04393	2.2
95.04962	25.3
95.05526	2.6
95.08589	35.1
97.02917	1.8
97.06515	12.2
97.10147	4.8
99.08047	3.5
103.05440	2.2
103.79346	1.3
105.04521	1.6
105.07017	45.9
105.07726	2.4
107.04925	6.6
107.08578	36.6
109.06509	7.4
109.10136	5.8
111.08034	6.7
113.09647	1.8
115.05446	2.4
117.07023	15.6
119.08566	24.2
121.06499	4.6
121.10127	16.8
123.08044	7.0
127.07563	1.8
128.06195	2.3
129.06975	15.6
131.08548	12.5
133.10124	16.0
135.11674	7.4
141.09091	1.7
143.08537	8.3
145.10115	10.5
147.08031	3.8
147.11664	34.7
149.13232	23.1
156.09402	2.0
159.11684	11.7
161.09624	3.9
161.13242	13.8
163.11226	1.9
171.11661	26.3
177.12749	5.3
183.11545	1.2
185.08759	1.3
189.12732	11.9
195.13753	6.2
207.13785	28.0
207.15643	2.2
225.14796	2.7
254.26750	1.3
269.17493	1.8
281.17429	2.2
346.43192	1.4
366.13599	1.3
374.25095	1.5
457.29706	3.0
475.30521	63.0
476.30740	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	475.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03933	9.0
53.10445	1.3
55.01860	5.0
55.05502	24.7
57.03426	7.0
57.07053	3.2
65.03925	5.0
67.05492	91.0
69.03406	3.0
69.07053	25.1
69.76331	6.3
71.04964	5.7
73.06539	2.1
79.05478	89.9
80.05804	1.2
81.03410	10.8
81.07040	100.0
83.04967	13.2
83.08163	1.5
83.08604	16.9
85.06530	4.8
91.05463	66.3
92.05769	1.6
93.07026	90.5
94.07335	1.5
95.04948	23.2
95.08002	2.1
95.08588	35.9
97.02854	1.6
97.06516	13.8
97.10141	3.8
99.04428	1.8
99.08069	3.3
103.05444	1.2
105.04476	1.4
105.07009	43.1
105.98199	1.0
107.04924	7.1
107.08571	38.6
109.02884	1.2
109.06497	7.9
109.10135	7.7
111.08035	7.3
112.99976	1.1
115.05460	2.5
117.06989	16.5
119.07726	2.2
119.08551	24.6
121.06490	4.4
121.10110	18.3
122.22218	1.1
123.08049	6.7
123.11637	1.9
125.09612	2.1
127.07519	2.3
128.06163	3.6
129.06978	13.1
131.08563	13.0
133.10112	16.6
135.08017	3.6
135.11662	9.3
141.06926	1.2
143.08539	9.7
145.06427	1.3
145.10110	10.8
147.08017	2.9
147.11659	30.5
149.13228	27.9
155.08513	1.7
157.10054	2.7
159.08026	1.6
159.11656	11.0
161.09583	3.3
161.13222	10.1
163.11157	2.2
165.12711	1.7
167.14270	1.3
171.11670	25.5
177.12714	5.7
179.14233	2.3
183.11548	1.9
185.13376	1.0
189.12698	10.2
195.13736	7.3
207.13782	28.4
213.14783	1.4
225.14749	5.2
269.17371	1.5
347.23471	1.2
355.22519	1.5
383.22052	3.0
383.26169	1.8
401.26865	1.3
452.40918	1.3
475.30463	58.8
476.30890	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.9
53.03940	8.6
55.01863	3.5
55.05500	28.0
57.03424	5.5
57.07062	3.2
58.23981	1.7
60.89967	1.2
65.03922	4.1
67.05492	94.4
68.05808	1.5
69.07055	26.2
70.05140	5.5
70.05544	3.3
71.04974	4.2
77.03925	1.9
79.05477	96.3
80.05813	1.8
81.03409	10.8
81.07040	98.8
83.04970	17.1
83.08599	17.7
85.06535	5.1
91.05463	67.1
92.05834	1.3
93.07027	100.0
95.04947	27.7
95.05516	2.3
95.08586	38.8
97.06509	11.9
97.10151	2.6
98.20779	2.1
99.08079	2.9
103.05444	2.3
105.04528	2.5
105.07011	43.8
105.07722	2.4
107.04938	7.4
107.08574	38.6
108.08939	1.7
109.06495	6.3
109.10130	4.8
111.08073	7.3
111.11692	1.6
113.05979	1.5
117.07001	16.0
119.08545	22.5
121.06498	4.3
121.10117	19.5
123.08046	5.3
128.06201	4.1
129.06969	16.4
131.08551	13.0
133.10097	19.1
135.08031	2.5
135.11696	7.0
143.08516	6.9
145.10089	11.2
147.08031	2.2
147.11658	37.5
149.09645	1.5
149.13237	25.5
151.11087	2.0
159.11665	11.0
161.09604	5.0
161.13225	13.3
171.11673	32.3
171.13051	3.1
177.12686	6.7
179.14157	1.6
189.12694	10.9
195.13765	9.7
201.36888	1.4
205.54861	1.4
207.13762	30.3
209.12965	1.4
225.14832	3.8
281.17361	1.9
289.61905	1.3
355.26508	1.8
383.25980	2.4
418.70801	1.3
457.29312	3.6
466.14163	1.5
475.30505	70.0
476.30920	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.01854	2.8
55.05503	26.3
57.03424	6.2
57.07059	2.8
58.49220	1.2
65.03928	5.5
67.05496	90.2
69.03401	1.5
69.07054	27.1
71.04982	7.2
73.06528	2.1
74.57911	1.1
77.03909	2.4
79.05482	95.1
81.03394	10.1
81.07046	98.2
83.04972	16.0
83.08606	15.2
85.06535	4.7
91.05468	68.9
91.05943	1.2
93.07028	100.0
95.04949	25.3
95.08591	41.3
95.73283	1.2
97.06501	12.8
97.10162	4.5
98.20715	2.4
99.08070	2.6
105.04514	3.1
105.07009	44.7
105.11416	1.1
107.04928	7.3
107.08582	38.9
109.06480	8.8
109.10146	7.6
111.08089	6.7
113.09715	1.3
115.05377	2.1
116.16698	1.1
117.07008	12.7
119.08562	24.5
121.06483	3.9
121.10130	19.5
123.08031	5.9
123.11700	2.5
128.06216	3.5
129.06981	15.9
131.08563	12.8
133.10114	16.5
135.08076	1.9
135.11674	7.6
135.53723	1.2
137.09619	1.1
142.07886	1.4
143.08543	9.7
145.06409	1.4
145.10109	10.4
147.08006	1.8
147.11671	31.7
149.13235	26.7
155.08472	2.8
157.10191	1.5
159.11658	11.0
161.09598	4.2
161.13234	10.5
163.11247	1.3
169.10103	1.7
171.11668	25.2
173.09656	1.6
177.12729	5.6
179.14336	1.4
181.09973	1.3
189.12679	10.9
195.13847	6.7
207.13777	28.7
213.14787	2.9
225.14856	3.3
249.84657	1.2
263.16727	1.6
303.04337	1.3
309.54834	1.3
365.24512	1.9
383.25916	3.0
457.29584	5.0
475.30515	69.1
476.30798	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.4
53.03938	7.3
53.65783	1.0
55.01859	4.7
55.05504	25.7
56.05825	1.0
57.03424	6.9
57.07063	2.9
65.03938	5.0
65.21493	1.0
67.05496	94.1
69.07059	30.7
70.00002	3.7
70.00412	2.4
71.04983	5.3
73.02869	0.9
73.06551	2.4
77.03904	2.3
79.05482	92.0
81.03413	10.9
81.07044	100.0
83.04974	15.0
83.08605	16.5
85.06509	4.8
91.05027	0.7
91.05466	68.8
93.07029	91.8
94.07388	1.4
95.04390	2.0
95.04960	24.8
95.08588	35.9
97.06511	11.4
97.10149	3.0
98.06065	1.3
99.08098	2.5
103.05471	1.2
105.04507	3.1
105.07011	43.1
107.04945	7.7
107.08576	38.8
109.06507	7.5
109.10142	9.5
111.08070	8.4
113.09661	1.5
115.05440	1.4
117.07001	13.6
119.08556	25.9
121.06519	4.0
121.10119	17.8
123.08060	6.8
123.11709	2.1
127.07551	1.6
127.11218	1.2
128.06213	2.8
129.06981	15.3
131.08549	11.2
133.06514	1.5
133.10098	17.8
135.08064	3.0
135.11678	11.8
139.11179	2.2
141.06952	1.1
141.09140	1.4
143.08565	8.0
145.10086	9.6
147.08070	1.8
147.11665	36.7
149.09612	1.3
149.13231	27.5
149.38715	1.0
157.10184	1.8
159.11671	11.2
159.59586	1.1
161.09589	4.4
161.13231	12.1
163.11269	1.2
169.10179	1.6
171.11668	26.5
173.13179	1.7
177.12766	4.7
187.14946	1.0
189.12708	11.2
189.16451	1.6
195.13654	4.7
207.13777	29.9
225.14830	5.1
269.17438	1.3
293.60471	1.1
304.26398	5.7
421.34775	2.9
432.62393	1.4
439.35922	2.2
457.29407	1.8
457.36572	1.3
475.30573	63.7
475.37573	2.7
476.30780	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	474.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
56.05024	1.5
57.03431	12.0
61.02912	2.0
63.60688	1.4
65.28157	1.5
69.03425	2.7
70.06573	7.3
71.04979	78.2
71.68636	1.4
71.69020	3.3
72.08141	19.4
73.02895	3.9
75.04459	6.0
80.49362	1.5
81.20194	1.8
83.04967	8.3
83.06078	1.6
84.04482	5.6
84.08118	4.6
85.02892	100.0
86.09692	14.0
87.04449	3.3
89.06013	53.4
97.02895	4.6
98.24627	1.5
99.04430	5.3
99.87315	1.5
104.99265	1.4
111.04438	6.6
112.78212	1.7
117.05460	4.2
121.02867	1.7
124.03911	2.4
124.39303	1.5
127.03899	4.2
129.04561	2.5
129.05457	32.7
129.10217	2.4
130.05043	1.8
131.06998	7.9
133.06044	6.0
142.03368	1.7
145.04929	2.9
147.06502	15.2
149.08061	50.2
208.59067	1.8
215.13904	4.6
229.11778	2.0
232.12834	3.9
239.82465	1.9
241.10750	2.8
243.13387	4.9
290.03683	1.8
372.03812	2.4
420.06213	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	20.3
55.01863	16.7
55.05499	41.4
57.03424	30.0
65.03938	4.5
65.30402	3.3
67.05494	80.8
69.03422	19.9
69.07050	38.1
69.39188	12.3
69.39606	28.1
70.06591	3.8
71.04979	13.6
79.05479	88.2
81.03404	88.3
81.07045	89.7
83.04980	19.1
83.08605	27.4
85.02912	5.4
85.06484	5.4
91.05467	63.7
93.07029	65.9
95.01332	4.9
95.04965	37.2
95.08579	53.9
97.02856	25.8
97.06522	14.5
97.10161	16.2
98.20747	9.2
99.04420	10.9
99.08099	4.4
103.03925	4.8
103.05443	5.4
105.07013	72.5
107.04950	31.0
107.08581	44.6
109.02869	51.8
109.06506	18.8
109.10143	23.0
111.04420	13.0
111.08064	9.9
115.05463	13.0
117.06999	39.9
119.04915	5.6
119.08556	47.1
121.06489	11.7
121.10120	26.6
123.04412	4.7
123.08057	12.0
123.11658	7.5
125.09621	12.5
127.03899	11.3
128.06245	11.5
129.06987	30.4
130.07788	4.5
131.04906	6.2
131.08553	37.8
133.06461	8.8
133.10088	36.0
135.04376	5.4
135.08009	17.9
135.11708	18.7
137.05978	8.7
137.09625	6.0
141.06976	14.1
142.07730	5.5
143.08536	31.5
145.06464	17.1
145.10098	47.7
147.08035	10.7
147.11671	19.7
149.09598	16.6
149.13158	5.9
153.06999	7.4
154.07755	5.5
155.08519	21.0
156.09286	3.9
157.06465	6.3
157.10115	20.6
159.08026	11.3
159.11655	25.8
161.05989	4.5
161.09612	12.0
161.13251	7.1
163.11153	20.6
165.05518	6.1
165.06946	8.1
167.07048	4.4
167.08510	8.4
169.06577	5.2
169.10100	22.9
171.08035	9.3
171.11655	15.4
173.09607	9.0
173.13155	8.4
175.11180	10.7
179.08516	4.7
181.10083	9.5
181.12234	4.9
183.06508	5.2
183.11674	13.3
185.09587	9.9
185.13223	11.3
187.11145	8.9
189.11163	7.3
191.10484	4.4
193.10179	3.9
193.12219	9.2
195.11688	8.6
197.09595	6.4
197.13243	13.2
199.11147	13.8
201.12756	4.5
207.11670	7.7
209.13358	5.0
211.11220	9.4
211.14873	4.2
213.12672	6.1
213.16232	5.9
215.10666	4.9
221.13303	4.6
225.12724	4.7
227.12625	24.4
237.12747	8.4
237.16550	4.8
257.18903	11.8
275.20068	36.3
292.77478	3.9
305.89520	4.0
323.20151	4.7
325.21924	4.1
337.21594	14.8
349.23648	22.1
355.22540	11.9
365.21008	19.3
373.23587	6.9
379.24683	6.1
383.22089	30.1
391.82629	4.3
401.23083	10.3
415.24506	5.9
429.26086	8.8
439.24750	11.7
445.25583	6.6
457.25769	30.8
475.26767	100.0
475.33237	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	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01856	3.2
55.05507	4.5
56.65633	1.5
57.03421	2.2
59.04996	12.5
67.05489	6.0
69.03425	13.2
69.07056	6.8
70.06596	7.6
70.22832	9.1
71.04974	3.3
72.08134	5.0
73.02902	2.1
79.05485	6.0
80.86269	1.7
81.03415	10.5
81.07036	12.2
83.04967	5.2
83.08585	2.3
84.04482	2.9
85.02899	18.3
86.09702	4.9
87.00811	7.2
87.04475	5.3
91.05479	8.8
93.07033	27.0
95.04951	5.5
95.08600	11.3
97.02871	9.4
97.06515	3.0
99.04450	4.6
101.06018	11.1
105.01850	4.3
105.07017	20.4
106.77728	1.6
107.08583	53.9
108.58113	1.6
109.02847	8.9
109.06503	6.4
109.10168	4.8
111.08050	3.6
113.05952	1.8
115.77744	1.5
117.07001	1.7
119.08576	16.3
121.06470	1.6
121.10145	5.1
123.08033	8.6
123.11694	2.1
127.03879	10.0
131.08609	2.3
133.06482	4.4
133.10155	7.9
135.04326	1.9
137.05994	4.9
137.09543	2.7
139.11179	4.1
141.09145	2.3
143.08563	2.8
145.04922	4.2
145.10083	1.6
147.07993	4.1
147.11679	12.0
149.09604	4.9
151.07538	3.6
151.11160	79.3
156.09383	3.5
159.02859	4.6
159.11661	5.1
161.09628	3.7
161.13251	11.6
165.09087	1.7
171.11685	3.5
177.12737	5.7
181.08588	1.9
189.12717	18.2
207.13776	100.0
208.14175	1.7
225.14824	81.2
226.15166	3.2
326.06812	1.6
369.40512	2.3
418.50583	1.6
450.46805	1.8
473.21869	4.5
496.93536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90062	4.3
53.32087	4.8
55.75523	4.7
57.03413	6.7
60.28728	4.8
61.02913	4.5
68.99773	4.5
69.03409	9.1
70.06576	24.3
72.08116	6.8
84.04511	5.4
84.08129	10.0
85.02890	16.9
85.32467	4.8
86.09671	13.4
93.70004	4.7
97.02876	8.9
103.03944	5.0
109.02863	11.2
121.02834	9.4
129.10211	6.5
130.04958	6.3
131.04919	5.5
133.02802	5.7
137.02310	4.6
141.01797	7.9
153.01805	5.8
163.03896	7.4
165.01781	14.7
171.04427	6.6
175.03932	8.1
183.02890	7.5
185.00752	17.5
187.03862	6.7
198.05754	7.4
201.05319	6.4
203.03383	17.6
204.04163	16.3
205.04907	16.1
206.05679	6.0
207.02870	10.2
213.05446	7.5
215.03404	20.2
216.04182	15.7
217.04942	14.0
219.02988	8.8
227.03432	5.6
229.04897	18.3
229.62584	5.0
231.02887	35.4
232.03693	13.5
233.04314	27.4
234.05206	11.0
241.04926	12.3
242.05898	5.9
243.02899	45.7
244.03543	31.0
245.04393	49.3
247.02396	31.8
249.04044	7.7
253.05060	8.5
255.02870	6.3
257.04385	26.0
258.05014	9.8
259.02335	68.4
260.00681	4.5
260.03146	28.2
261.03888	32.0
262.04797	5.9
269.04437	18.0
271.02359	20.7
272.03091	63.9
273.03912	72.0
274.04599	35.8
275.01840	26.3
275.04822	5.6
276.02573	21.2
277.03412	51.9
283.02325	12.5
283.06250	5.8
284.03110	14.7
285.03781	31.8
286.04636	11.6
287.01804	82.3
287.05060	8.7
288.02460	27.1
289.03354	87.5
290.03864	6.2
297.03857	21.7
298.04550	22.0
299.01767	26.2
299.05353	12.4
299.51443	5.9
300.02487	5.7
301.03397	34.8
302.04120	49.0
303.04776	8.7
305.02765	24.9
309.03937	8.4
311.05313	11.4
312.02844	6.6
313.03342	31.6
315.04916	12.2
317.02798	100.0
318.03448	7.8
319.04489	29.6
323.10120	5.3
325.03232	14.0
326.04208	29.0
327.04987	37.5
328.05453	6.1
329.02780	18.1
335.03876	21.7
338.04153	7.6
339.04996	10.7
341.02872	53.8
343.04425	14.8
347.03751	9.0
350.03964	10.2
353.05090	47.6
355.04498	27.9
356.05078	20.1
357.06137	10.0
359.03879	14.2
360.04752	9.6
368.05075	14.6
369.81500	5.4
371.04074	30.0
373.05469	7.6
377.04874	13.6
383.03864	27.5
385.05121	7.5
386.06174	14.6
389.05139	9.1
390.05856	5.6
393.08243	7.4
401.04922	41.8
403.06305	6.7
404.07248	14.8
407.05820	24.0
419.05838	27.9
422.08359	14.0
437.07016	18.2
455.08109	22.8
455.13855	5.7
473.09070	19.0
473.15787	10.2
473.23969	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	471.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01856	3.6
55.05507	3.0
59.04975	2.1
65.20027	2.1
67.05474	4.5
69.03423	12.2
70.06586	2.9
70.38005	8.9
73.02918	1.8
79.05471	5.6
81.03399	6.8
81.07024	5.0
83.04958	3.0
84.08144	2.3
85.02899	13.1
86.09678	4.0
87.00794	5.9
87.04449	13.5
91.05463	7.0
93.05394	1.9
93.07019	6.3
95.04942	2.7
95.08585	1.9
97.02890	9.4
99.04416	2.8
105.01828	4.1
105.07019	2.9
107.08558	2.9
109.02849	7.0
109.06502	18.7
109.10131	3.9
117.01784	1.9
119.05978	1.9
119.08558	4.1
121.06467	23.3
121.10123	3.5
122.07273	4.6
125.05907	2.0
127.03895	12.4
137.09596	51.3
145.04932	3.0
149.05920	4.1
149.09528	3.1
154.83136	1.7
159.02837	2.9
159.11652	2.7
163.11089	3.6
163.19444	1.8
165.12677	1.9
177.12758	4.7
205.12170	2.0
223.13254	100.0
224.13606	3.5
453.11752	2.4
471.18723	2.9
471.28979	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	469.1677
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
70.06567	0.9
71.69740	0.9
77.30380	0.5
83.01086	0.8
84.08110	0.5
85.02890	0.5
91.60179	0.4
95.01070	2.4
95.85537	0.4
96.01853	0.6
110.07173	0.5
111.20153	0.4
112.01337	0.9
113.02135	2.9
123.04378	0.5
126.02853	0.5
157.04669	0.6
185.04227	3.5
201.03673	1.6
203.05263	0.8
203.10751	0.5
217.04752	1.4
232.07033	13.0
233.07536	0.6
259.07874	2.1
275.08859	1.3
438.14511	2.3
439.15781	1.7
469.16776	100.0
470.17172	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	470.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.23721	0.7
55.01854	0.8
55.05493	2.4
57.03431	10.6
57.07061	2.5
61.02900	1.8
67.05487	1.3
69.03419	2.5
70.06569	3.5
70.83669	2.5
71.04980	76.7
72.08134	0.9
73.02909	2.5
75.04453	3.5
81.03379	1.3
81.07018	1.1
83.04961	6.8
84.04476	0.9
84.08128	1.3
85.02890	100.0
86.06042	1.1
86.09690	3.6
87.04460	1.9
91.05442	5.1
93.07045	0.9
95.04942	1.0
95.08585	0.9
97.02877	4.7
99.04428	1.4
99.08034	1.0
103.03951	1.1
105.07005	1.3
107.08644	0.9
109.02843	1.5
111.04411	4.1
124.99986	1.8
127.03877	3.3
129.05458	40.1
131.04890	0.9
137.05959	1.2
145.04932	3.0
147.06499	16.7
148.06827	0.8
156.13829	3.2
156.74509	0.8
161.79001	0.8
164.09123	4.8
180.08740	1.4
184.07324	8.0
252.94243	0.8
255.08806	1.2
262.21442	1.0
273.16953	1.1
283.55576	0.7
470.39404	2.7
471.25604	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	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29525	0.9
55.05505	10.3
55.53917	0.9
57.03423	2.0
57.06804	2.2
57.07067	40.4
59.04982	4.4
62.83747	0.9
63.71746	1.0
65.03930	1.5
67.05495	100.0
67.33778	1.0
67.49786	1.0
67.74849	1.0
69.07063	8.0
71.04983	2.9
71.08621	25.3
71.69876	1.6
79.05478	2.9
81.07047	28.5
83.08607	13.5
85.06519	3.1
85.10172	15.4
89.06010	1.5
91.05485	5.7
93.07020	4.1
95.04926	1.0
95.08593	28.0
97.10137	6.0
99.11708	1.3
107.08590	2.3
109.10142	85.8
110.10493	1.1
111.08076	3.2
119.08570	4.9
123.11694	5.2
125.09632	1.1
125.13274	1.0
133.10147	1.3
137.09593	3.5
137.13229	2.3
138.08955	0.9
154.13600	0.9
155.10626	5.3
173.11716	29.5
174.12190	1.2
199.68330	1.0
221.22574	1.2
239.23639	8.1
259.14722	1.0
467.37274	81.0
468.37607	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	467.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
57.03432	10.2
57.07067	37.3
67.05490	15.1
69.07054	6.1
70.81158	0.8
71.08619	25.6
79.05476	1.3
81.07044	13.5
83.08609	8.5
85.10163	13.4
89.06050	1.3
93.07024	1.0
95.08588	17.4
97.10171	3.4
98.98452	51.0
109.10137	10.7
111.11724	0.9
116.99485	1.9
123.11702	4.2
136.99989	3.1
137.13255	1.5
155.01015	53.3
171.09073	0.7
193.02492	1.6
211.03650	2.4
229.04678	1.7
229.76518	1.1
239.23605	4.9
268.29880	1.0
284.39001	0.9
313.27307	100.0
314.27744	2.5
393.23999	1.9
420.45471	1.1
449.26578	14.7
467.36993	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	467.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08136	9.8
55.05511	16.3
57.03409	13.7
57.07063	10.9
64.01103	10.7
65.65618	9.4
67.05501	89.2
69.03416	12.1
69.07041	31.8
70.06579	43.0
71.04983	21.3
71.69833	16.7
72.08138	15.3
74.60632	12.3
79.05476	24.3
79.55098	11.4
81.07037	91.8
83.08578	21.0
84.08139	13.2
85.02887	31.0
85.06549	11.7
86.09712	20.3
86.88863	9.8
88.66425	11.8
91.05489	33.6
92.71264	10.0
93.07021	47.4
95.08603	100.0
97.02869	14.4
97.10138	12.4
105.07000	17.0
107.08575	32.1
109.10123	61.4
119.08597	25.4
120.08101	14.7
121.10140	40.8
123.11705	25.1
131.08560	22.4
133.10129	32.3
135.11678	29.4
137.09587	16.9
142.12234	14.2
149.13333	20.8
156.13791	21.0
191.17903	27.8
209.18988	23.1
215.17934	28.4
233.18922	18.5
251.20113	37.8
269.20987	68.5
273.03989	19.0
285.04068	14.8
287.22006	62.4
288.05862	41.8
289.06012	62.5
290.06235	29.0
291.06546	40.4
292.07153	13.5
303.05029	52.8
304.05377	53.3
305.05484	66.8
398.58298	10.6
450.36832	13.3
467.09836	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1171
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01849	1.7
57.03426	2.6
59.68722	0.8
68.99781	13.4
69.03429	1.7
70.06576	3.2
71.16125	2.1
72.08141	1.4
79.05492	1.3
81.03397	3.7
85.02892	7.4
86.09694	2.0
87.05605	0.8
95.04926	1.9
97.02882	2.3
103.03930	1.3
109.02863	2.8
111.04421	1.9
112.98103	0.8
114.80971	0.9
120.08113	3.3
121.02858	2.7
123.04416	4.0
125.02319	0.8
127.03902	3.3
135.04396	3.7
137.02319	100.0
137.03297	3.4
137.53436	1.0
139.03868	5.3
147.04405	1.4
151.03923	6.0
153.01807	10.4
154.80167	1.0
163.03918	4.4
165.01825	9.3
165.05493	1.4
169.04945	1.9
177.01831	9.2
177.05435	1.0
178.04961	15.5
179.03403	19.1
179.05312	9.1
183.02855	10.6
187.03835	1.4
189.05495	1.1
191.03337	6.4
193.04904	7.4
195.02863	24.4
197.04456	1.3
205.04936	9.2
207.02841	2.6
217.04990	3.1
219.02881	19.0
231.02893	3.5
235.05986	3.7
237.03891	1.1
249.03940	7.2
258.04834	1.4
261.03845	8.7
271.08264	1.0
273.04037	1.4
274.04321	2.1
279.04892	6.0
287.05383	1.6
297.05984	12.0
299.05307	9.2
300.05740	2.5
304.05457	1.4
305.06635	1.4
305.14966	1.7
311.05371	7.3
314.45999	0.9
317.06403	1.3
325.06921	1.4
329.06430	16.8
347.07513	1.4
353.06519	3.3
371.07730	2.7
376.59186	1.0
383.07535	8.1
413.08585	4.6
431.10077	5.4
449.11221	3.5
467.13770	1.9
480.11966	1.1
489.40906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05489	5.1
57.03421	4.3
60.16140	1.0
61.02917	2.8
67.05492	23.1
69.03407	5.5
69.07051	6.2
69.66219	2.1
69.66634	6.9
70.06556	1.6
70.31745	1.0
71.04949	1.7
71.08598	1.2
73.02899	1.8
76.95017	1.1
79.05471	9.7
81.03397	2.7
81.07038	29.1
83.04945	3.0
83.08617	6.0
85.02873	4.0
85.06515	2.4
91.03943	1.5
91.05463	8.6
93.07024	20.9
93.78361	1.1
95.04938	3.1
95.08587	7.7
97.02866	4.4
97.06499	4.7
99.08105	1.4
105.07002	3.5
107.08570	11.8
109.02854	2.4
109.10131	3.2
111.08047	3.4
115.03892	2.4
116.70465	1.2
117.06973	3.0
117.74660	1.1
119.08548	1.8
121.06509	1.6
121.10122	8.9
123.11651	1.5
127.03898	3.2
131.08537	4.3
133.04874	1.5
133.10089	4.4
135.07936	1.2
135.11653	4.5
147.11627	1.6
149.13239	17.7
149.14334	2.2
159.11661	7.3
177.12704	4.1
177.77615	1.0
179.14253	1.3
180.18756	1.2
195.13759	11.8
209.12527	1.2
244.00743	1.1
269.17426	100.0
270.17828	3.3
325.20517	1.1
339.18121	4.0
388.52426	1.2
402.70718	1.3
469.58612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.2
55.05501	20.7
57.03423	9.4
57.07064	8.6
67.05190	1.0
67.05497	10.9
69.07056	24.0
70.04819	3.0
71.04924	0.8
71.08613	3.9
73.02906	6.4
79.05486	5.8
81.07047	11.2
83.08607	19.1
85.10155	2.7
91.05460	1.8
93.07032	7.1
95.08598	7.7
97.06502	3.5
97.10150	12.9
98.21389	1.0
98.98450	49.2
105.06989	1.3
107.08575	3.1
109.10126	3.6
111.08083	1.1
111.11676	3.7
116.99452	1.3
121.10117	5.9
123.11679	2.3
129.05504	4.0
135.11649	3.8
136.99953	4.0
137.68727	0.8
149.13173	1.6
151.24457	0.9
155.01021	42.8
193.02679	1.1
211.03665	1.5
219.21071	2.4
229.04605	1.6
234.15103	0.9
237.22104	11.1
265.56003	0.9
311.25757	100.0
312.26141	3.9
333.78049	0.9
388.89810	1.1
447.24936	11.9
448.25003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
54.08941	1.7
55.01865	2.1
55.05510	3.5
57.03427	7.2
61.02910	3.2
67.05493	20.0
69.07059	8.7
69.69489	4.8
69.69901	9.7
71.04973	2.2
72.08176	2.0
79.05480	8.3
79.77273	1.7
81.07045	28.5
83.04959	3.0
83.08596	8.6
85.02896	2.8
85.06564	2.3
91.05453	8.1
92.12618	1.7
93.07027	25.3
95.04966	2.3
95.08595	7.3
97.06524	5.8
99.08084	2.4
105.07016	3.2
107.08576	12.6
109.10121	2.4
109.65593	2.0
117.06995	5.2
121.10126	10.9
131.08577	3.2
133.10104	4.3
135.11656	3.9
149.13213	13.6
159.11723	9.5
177.12729	8.1
195.13809	7.6
269.17438	100.0
270.17743	2.8
339.11551	1.7
469.20239	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	465.1016
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
51.23464	1.1
55.01859	1.1
55.05484	1.2
56.35260	1.1
57.03407	1.8
60.16010	1.4
67.05480	2.0
68.99762	1.3
69.03434	1.7
70.06571	5.7
71.69456	2.9
72.08143	6.2
73.02857	1.5
81.03391	4.0
83.01309	1.5
84.04471	2.4
84.08123	4.2
85.02914	6.3
86.09698	6.4
95.04942	3.1
97.02856	3.6
102.05517	1.4
107.04951	1.2
109.02863	3.7
120.08105	6.0
121.02864	3.7
123.04379	1.4
127.03920	1.5
129.10229	1.7
130.10570	1.2
133.02856	1.7
135.04349	4.2
135.05449	1.6
137.02330	28.0
137.03365	2.7
141.01782	1.8
148.07527	2.0
151.03873	3.0
151.33255	1.3
153.01755	6.0
161.02277	1.8
161.05956	1.9
163.03946	2.6
165.01817	7.3
166.08617	1.9
167.03336	1.8
168.00520	1.4
169.01262	3.5
175.03938	2.5
177.01553	1.6
177.05507	1.5
179.03386	2.5
181.01271	4.4
183.02888	7.9
187.03827	1.7
193.12177	1.7
195.02843	3.5
199.02342	5.4
200.03178	1.2
203.03369	2.1
205.04980	1.3
207.02762	1.7
207.10194	1.7
211.02322	3.1
215.03333	1.3
221.04359	1.9
225.05515	1.7
231.02835	1.9
241.04845	1.7
243.06744	1.3
253.04906	1.4
257.04373	4.6
259.02258	1.4
261.03876	3.7
263.01904	2.0
267.06415	1.7
267.11240	5.6
269.04343	3.7
271.06006	5.6
273.00958	1.1
273.03873	27.4
277.03357	2.7
285.03903	4.7
285.12247	3.1
287.05469	3.9
297.03925	3.6
298.04172	1.5
299.02136	1.9
299.05466	14.1
301.06946	3.0
302.04144	8.2
303.04938	32.5
311.05435	2.4
313.03271	4.5
313.07037	5.6
315.04926	100.0
316.05441	9.7
317.06461	3.8
323.05435	4.3
327.04919	13.6
329.06503	2.2
337.07037	3.1
339.04956	16.7
340.05426	2.4
341.06427	18.6
345.05966	88.1
346.06174	3.8
351.04941	3.2
353.06354	1.8
355.08102	13.8
365.06473	3.6
369.05984	45.8
370.06305	2.5
381.05856	9.3
383.07565	3.7
387.06592	1.6
393.06137	11.3
399.07077	18.5
411.07056	18.3
429.08163	18.6
447.09073	13.3
465.10327	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	465.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01857	0.8
57.03192	0.1
57.03428	1.1
59.04964	0.1
61.02913	1.5
65.03947	0.2
66.53614	0.1
67.01849	0.1
67.05478	0.2
68.99780	0.8
69.03416	3.8
69.51352	0.8
69.51764	0.2
70.06568	0.1
71.04974	0.5
72.08134	0.7
73.02902	0.6
81.03403	2.1
81.07018	0.1
83.01321	0.3
85.02888	10.5
86.09687	0.4
87.04437	0.4
91.03929	0.5
91.05465	0.2
93.03360	0.4
95.04932	0.5
97.02875	3.7
99.04433	0.6
107.01306	0.2
109.02854	1.5
111.00780	1.2
111.04424	0.1
120.08063	0.3
121.02845	1.4
123.04394	0.3
127.03901	1.9
135.04381	0.2
136.07544	0.5
137.02315	4.5
145.04932	1.4
145.06438	0.2
149.02313	0.5
153.01799	5.4
155.04886	0.3
157.06453	0.1
161.05968	0.4
163.03873	0.9
165.01826	2.5
166.02611	0.3
173.05954	0.7
177.05408	0.2
178.04933	0.6
179.03348	0.2
183.02863	1.1
183.04405	0.5
187.03923	0.4
187.22644	0.1
191.03413	0.3
195.02875	0.3
201.05437	2.4
205.04912	0.3
207.11276	0.2
211.03903	0.2
213.05266	0.1
215.03189	0.2
217.04921	0.1
219.02841	0.2
219.06516	0.3
228.04114	0.3
229.04924	6.2
230.05214	0.2
235.10666	0.3
239.03375	0.3
246.05269	0.1
247.05939	0.9
257.04395	3.7
273.03937	0.2
274.04654	0.9
275.05460	0.4
285.03912	1.6
285.12265	0.7
286.04315	0.1
303.04935	100.0
304.05280	3.2
315.04898	0.5
334.17752	0.1
345.05887	0.5
369.05801	0.2
423.78442	0.1
447.09015	0.2
465.10626	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	465.1018
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03935	1.1
55.01855	0.6
57.03423	0.8
61.02909	1.5
69.03427	4.0
69.48853	1.0
69.49266	4.3
73.02888	0.6
81.03389	1.7
85.02895	10.6
89.63783	0.5
95.04990	0.5
97.02866	3.4
100.74919	0.4
102.92997	0.5
109.02861	2.0
111.00795	0.8
121.02859	1.3
127.03899	2.0
137.02328	3.7
137.03288	0.8
145.04959	1.6
153.01822	4.6
163.03964	0.6
165.01805	2.3
173.05969	0.5
183.02821	0.8
191.03365	0.8
201.05443	2.4
229.04904	4.9
247.06050	1.3
257.04446	3.7
274.04489	0.9
285.03848	1.5
285.12274	0.7
303.04941	100.0
304.05246	3.2
470.42984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin 3'-glucoside
Peak:m/z	Relative Intensity
55.01844	1.1
55.05515	1.4
55.54668	0.9
57.03429	1.3
63.23138	0.9
69.03418	1.5
70.88659	1.9
72.08116	0.9
81.03387	2.6
84.08125	1.0
85.02895	8.0
86.09703	3.7
97.02875	1.0
103.03946	5.0
107.01296	1.6
109.02847	2.2
119.54408	0.9
120.08112	1.7
131.22760	0.9
145.04799	1.0
153.01819	3.3
154.35403	0.9
155.04944	1.6
165.07133	1.2
171.04396	1.4
183.04395	1.8
187.03903	1.6
199.03908	1.1
201.05392	2.5
211.03954	5.8
215.03331	1.2
219.02876	2.7
221.05922	3.8
225.05399	6.0
229.04890	5.7
239.03311	1.3
241.04834	1.4
243.06627	1.9
245.04465	2.8
249.05539	1.8
253.05060	4.5
257.04431	32.7
260.03149	6.8
261.03848	6.9
263.01749	5.3
267.02914	3.1
267.06552	2.5
269.04407	1.9
270.05133	1.6
271.03192	1.9
271.05957	13.4
273.03897	63.7
274.04550	5.8
275.05518	1.4
277.04898	3.3
281.04428	4.6
285.03888	23.2
285.07501	6.5
287.01889	1.6
287.05298	3.1
289.05951	1.1
295.06049	13.0
297.03894	6.0
298.04657	5.6
299.02170	2.2
299.05429	30.4
301.03455	2.0
303.04959	89.1
304.05353	4.0
309.03946	2.0
311.05502	1.5
313.07028	16.6
314.07162	1.5
323.05499	15.6
325.03503	1.6
327.04953	35.5
328.05179	1.2
341.06528	3.3
351.01416	1.0
351.04953	23.7
352.05200	1.5
369.06009	100.0
370.06308	7.1
387.07379	3.0
411.06860	2.9
421.53751	1.1
429.08044	10.6
447.09305	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	464.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48520	0.6
54.28240	0.7
56.05028	2.5
57.07055	2.3
60.08155	18.7
62.26838	0.6
70.29900	2.4
71.06997	1.1
71.07366	15.7
71.08598	1.1
71.23312	0.6
83.75484	0.6
86.09695	93.5
87.10038	0.8
98.98453	14.5
102.53634	0.6
104.10718	2.9
124.99987	90.4
143.01007	2.2
166.02611	0.8
171.13826	1.4
175.84970	0.8
184.07327	33.0
444.26001	0.7
464.38605	100.0
465.39151	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	465.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65782	17.7
53.76534	19.3
56.96555	87.3
69.03410	22.8
69.68163	30.1
69.68575	100.0
70.06606	26.6
70.33267	20.2
85.02869	20.8
97.02877	31.3
98.97578	43.5
108.08060	18.4
110.07163	21.2
116.98631	29.3
119.01908	60.4
121.01604	18.5
128.98550	25.1
133.03444	61.1
134.99672	20.8
135.19490	20.4
137.02966	32.9
143.01862	19.0
145.03467	18.5
146.99673	23.0
152.05635	37.9
161.02963	47.8
170.08043	21.7
173.02893	34.8
175.00961	34.2
175.04543	18.6
185.02956	20.6
187.00969	24.1
187.04416	42.0
189.02481	49.8
201.02435	21.5
202.01445	22.7
203.03914	22.0
215.07500	19.4
217.01918	74.7
221.05046	26.1
228.01784	19.0
230.60309	22.1
237.02847	34.3
242.99973	30.0
261.04364	26.3
289.07520	27.1
303.04785	23.5
345.02820	30.2
386.79285	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	464.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06716	3.6
54.21758	4.1
61.29878	3.6
69.65961	8.7
69.66383	25.0
72.95040	3.7
73.49786	3.2
85.02877	11.5
98.06028	4.6
98.21519	6.9
114.66077	3.7
135.04372	4.4
142.20467	3.8
153.01831	6.7
178.04977	15.6
179.74826	3.9
217.05025	5.4
225.05411	7.5
228.06473	4.5
229.04840	9.5
240.06340	4.0
243.02820	7.1
245.04401	19.0
247.78812	4.0
253.04953	6.8
256.06116	4.2
257.04535	20.8
261.03772	5.1
265.04938	3.9
268.06000	16.0
269.04358	9.6
271.02438	4.1
271.05878	9.1
272.02994	7.3
273.03894	100.0
274.04538	12.3
275.05692	4.7
280.06046	6.4
281.04599	20.4
283.05118	6.2
285.03879	14.4
287.01932	8.1
287.05365	11.2
289.03336	7.2
294.07446	6.3
295.06012	6.9
296.05505	45.0
297.03583	34.1
297.05917	6.7
298.04227	7.3
298.07239	8.9
299.05389	16.0
300.05038	12.4
301.03506	20.1
302.06638	19.4
303.04935	32.5
308.05576	8.3
309.03867	11.3
310.07190	4.6
311.05240	9.5
312.08557	5.0
313.03140	6.9
314.06561	84.7
315.07211	6.0
319.05988	4.2
321.06235	4.4
322.07114	8.0
323.05331	8.5
326.06647	40.1
327.04813	29.7
328.08191	4.6
334.07407	4.0
336.08670	8.8
337.06885	8.6
338.06516	4.2
339.04581	5.6
340.08206	11.3
343.04675	5.2
344.03708	7.4
344.07635	91.7
350.06357	4.9
351.04996	11.1
354.09531	6.9
363.04810	5.9
364.08087	6.3
368.07578	67.0
369.06073	6.6
380.07611	19.2
381.06152	9.1
382.09183	7.1
392.07596	12.2
393.06076	4.4
398.08633	23.6
403.06436	6.6
410.08575	28.5
411.07086	11.6
421.07571	14.2
428.09702	66.1
446.10721	72.7
447.09262	6.9
464.11719	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	463.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25727	1.5
53.03920	4.5
55.01851	3.2
55.05241	1.6
55.05500	28.6
57.03420	12.1
57.07045	3.7
65.03920	2.5
67.05492	77.2
68.96027	1.4
69.03419	2.8
69.06688	2.1
69.07048	25.9
70.17349	8.2
71.04967	4.4
71.08620	25.3
73.40668	1.6
79.05479	64.9
81.03389	5.5
81.07040	100.0
82.07362	2.8
83.04970	10.7
83.08592	16.8
85.06509	4.9
91.05457	43.8
93.07024	80.4
95.04938	14.4
95.08003	2.5
95.08589	42.5
97.06507	12.8
97.10143	3.7
99.08077	19.0
102.51924	1.7
105.06345	1.9
105.07014	30.8
107.04914	5.7
107.08575	45.9
109.06478	6.5
109.10146	14.3
111.08049	6.8
112.99992	22.5
113.09669	1.8
113.99638	1.4
117.07003	16.0
119.08545	21.2
121.06466	2.7
121.10119	32.1
123.07994	1.9
123.11680	2.1
125.09595	2.9
127.11199	2.1
129.06947	7.6
131.08536	19.0
133.10092	18.5
135.08018	3.9
135.10753	2.7
135.11671	31.4
139.11154	2.9
141.09061	1.5
143.08533	6.4
145.10071	12.0
147.07985	2.6
147.11618	6.2
149.09589	2.6
149.13222	27.8
151.11147	15.2
153.12788	2.2
157.10091	6.7
159.11630	15.1
161.13249	7.9
163.11119	13.0
167.08437	2.2
169.02559	6.3
171.11650	2.5
173.13123	1.6
177.12694	7.6
179.14267	59.0
180.14603	3.5
181.12148	2.2
185.13170	1.6
195.12042	1.6
195.13742	12.0
197.13246	1.7
211.14793	1.9
213.14807	2.1
227.12689	10.5
235.16786	2.6
259.20499	3.5
266.87524	1.6
277.21558	34.1
325.25275	1.8
343.26193	2.4
351.25226	70.4
352.25391	4.2
353.24796	7.4
371.25858	8.6
389.26614	10.5
422.59473	1.5
445.23703	2.7
445.29459	15.4
463.30789	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03928	5.3
55.01852	3.1
55.05229	1.5
55.05498	20.4
57.03435	5.1
57.07051	2.7
62.66550	0.9
65.03922	3.2
67.05491	77.0
68.05833	0.9
69.03400	1.3
69.06685	2.0
69.07051	27.4
71.01309	1.0
71.04984	4.7
79.05479	54.1
81.03397	4.2
81.07041	100.0
82.07372	1.5
83.04955	8.4
83.08601	17.1
85.06522	5.3
91.05463	29.0
93.07025	75.6
94.07375	1.0
95.04950	11.2
95.08585	27.6
97.06512	14.1
97.10141	2.7
98.20703	1.7
99.08065	3.5
105.07000	13.7
107.04991	1.9
107.08575	37.8
109.06495	3.4
109.10151	5.4
111.08050	8.3
113.09686	1.2
117.06981	12.4
119.08572	5.1
121.06493	2.5
121.10120	23.5
121.10982	1.5
123.11685	3.5
127.07610	0.9
129.06995	2.3
131.08540	14.5
133.10085	14.1
134.16252	0.8
135.08025	2.4
135.11679	13.4
139.07501	1.6
139.11110	1.6
141.56378	0.9
143.08565	1.6
143.34103	1.0
145.10136	2.0
147.11626	2.2
149.13228	46.2
150.13647	1.1
151.11166	2.0
153.47746	0.8
157.10101	1.6
159.11658	20.5
167.14287	1.4
177.12724	10.6
195.13773	19.5
195.40294	0.8
213.14900	3.9
229.46268	1.0
269.17468	1.2
298.07251	0.9
353.24796	1.4
357.24011	1.0
371.25739	1.9
389.26758	3.0
445.29520	3.9
459.38107	1.0
463.30450	66.2
464.30905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03932	4.9
55.01859	6.0
55.05508	23.7
57.03423	10.6
57.07073	1.9
59.32884	1.2
64.84904	1.1
65.03926	4.0
67.05495	74.8
69.03419	3.2
69.07060	62.1
71.04983	4.8
71.70240	1.3
71.70621	2.2
77.03912	1.3
79.05482	57.7
81.03408	4.1
81.07046	100.0
83.04969	7.1
83.08617	14.8
85.06524	4.1
85.62901	1.2
91.05467	55.9
93.07031	56.7
95.04961	10.9
95.08593	37.3
97.02829	1.3
97.06515	13.0
97.10160	2.7
99.08081	4.2
103.05472	1.6
104.03197	1.4
105.07018	40.5
105.07723	2.2
107.04926	4.6
107.08580	31.0
108.19511	1.2
109.02914	1.2
109.06513	10.2
109.10137	10.1
111.08070	6.4
111.11707	1.7
115.05453	3.1
117.06999	20.6
119.08558	25.0
121.06480	6.8
121.10128	23.4
123.08049	3.6
123.11703	5.5
125.09572	1.3
128.06221	3.0
129.06982	10.4
131.08553	31.0
133.06462	2.4
133.10112	18.7
135.08044	5.8
135.11693	9.3
137.09593	2.0
139.11157	1.7
141.06976	4.3
142.07803	1.9
143.08562	10.5
145.06418	2.5
145.10092	16.3
147.08067	4.3
147.11661	13.2
147.33229	1.1
149.09599	4.9
149.13235	23.9
151.11147	2.8
155.08485	6.0
157.10115	7.6
159.08005	2.3
159.11679	17.1
161.13327	1.6
163.11154	3.1
165.12732	3.9
169.10130	3.7
171.10350	1.4
171.11581	6.5
173.13216	4.1
175.11162	2.0
177.12729	5.7
179.14365	1.3
181.10078	3.0
183.11655	4.6
185.13228	3.7
187.11211	1.9
187.14825	2.6
191.14331	1.3
195.11972	2.3
195.13811	10.6
197.13217	3.6
199.14766	2.7
201.12769	1.2
205.15886	1.4
209.13287	3.3
211.14876	1.4
213.12886	1.4
213.16524	1.7
219.17479	1.3
224.04108	1.3
227.14192	2.1
233.15421	2.1
247.16904	1.7
247.20590	1.8
255.17119	1.6
257.19131	1.7
269.19312	1.6
273.18512	1.8
275.20074	16.8
277.91693	1.3
293.21146	3.9
322.02368	1.4
325.25302	3.5
335.23761	1.7
343.26291	6.6
353.24719	17.0
371.25790	25.2
389.26810	19.1
427.28421	2.0
445.29416	40.4
446.30136	1.4
463.30521	53.9
464.30850	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	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01852	3.1
55.05229	1.5
55.05498	20.4
57.03435	5.1
57.07051	2.7
62.66550	0.9
65.03922	3.2
67.05491	77.0
68.05833	0.9
69.03400	1.3
69.06685	2.0
69.07051	27.4
71.01309	1.0
71.04984	4.7
79.05479	54.1
81.03397	4.2
81.07041	100.0
82.07372	1.5
83.04955	8.4
83.08601	17.1
85.06522	5.3
91.05463	29.0
93.07025	75.6
94.07375	1.0
95.04950	11.2
95.08585	27.6
97.06512	14.1
97.10141	2.7
98.20703	1.7
99.08065	3.5
105.07000	13.7
107.04991	1.9
107.08575	37.8
109.06495	3.4
109.10151	5.4
111.08050	8.3
113.09686	1.2
117.06981	12.4
119.08572	5.1
121.06493	2.5
121.10120	23.5
121.10982	1.5
123.11685	3.5
127.07610	0.9
129.06995	2.3
131.08540	14.5
133.10085	14.1
134.16252	0.8
135.08025	2.4
135.11679	13.4
139.07501	1.6
139.11110	1.6
141.56378	0.9
143.08565	1.6
143.34103	1.0
145.10136	2.0
147.11626	2.2
149.13228	46.2
150.13647	1.1
151.11166	2.0
153.47746	0.8
157.10101	1.6
159.11658	20.5
167.14287	1.4
177.12724	10.6
195.13773	19.5
195.40294	0.8
213.14900	3.9
229.46268	1.0
269.17468	1.2
298.07251	0.9
353.24796	1.4
357.24011	1.0
371.25739	1.9
389.26758	3.0
445.29520	3.9
459.38107	1.0
463.30450	66.2
464.30905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65567	1.6
52.17390	1.3
53.03915	5.1
55.01841	5.6
55.05499	28.2
57.03426	9.3
57.07068	3.4
62.40975	1.3
65.03912	3.5
67.05494	88.5
69.03376	1.3
69.07052	32.9
71.04986	7.5
71.71535	2.3
71.71922	1.6
76.22617	1.2
79.05033	3.4
79.05481	63.1
80.76772	1.4
81.03393	2.5
81.07042	100.0
83.04958	7.8
83.08601	21.2
85.06515	5.6
91.05460	65.8
93.07027	81.1
95.04970	12.6
95.08013	2.5
95.08592	42.8
97.02876	1.5
97.06512	11.1
97.10120	3.4
99.04425	1.3
99.08065	3.9
103.05443	2.0
105.04460	2.5
105.07009	48.9
107.04908	5.3
107.08572	42.4
109.06487	7.6
109.10125	10.3
111.04409	1.3
111.08030	6.9
115.05379	4.5
117.06996	30.8
119.08557	30.4
121.06484	7.8
121.10132	21.9
123.08038	3.7
123.11675	3.0
125.09550	1.5
128.06184	3.5
129.06982	14.0
130.07741	2.0
131.08536	40.7
133.06451	1.9
133.10106	22.6
135.08003	4.2
135.11658	9.5
137.09576	1.6
139.11165	1.5
141.06941	5.0
142.07690	1.8
143.08540	11.2
145.06433	3.4
145.10101	20.0
147.07988	3.6
147.11668	7.5
149.09584	5.4
149.13231	28.4
151.11166	1.9
155.08519	9.8
157.10103	11.2
159.07990	1.9
159.11676	20.9
161.09592	1.9
161.13182	3.9
163.11096	2.1
165.12831	1.6
166.07635	1.4
167.08540	2.7
169.10088	8.3
171.11656	7.6
173.09615	2.9
173.13203	2.2
175.11143	2.5
177.12671	6.6
181.10104	6.0
183.11667	4.8
185.13190	6.2
187.11153	2.0
187.14780	3.1
193.09972	1.9
195.11821	3.3
195.13716	8.5
197.13193	5.6
199.14828	3.4
200.03194	1.3
202.58253	1.4
209.08054	2.1
209.13161	2.9
211.14622	2.0
213.12820	2.6
213.14745	2.7
215.14249	2.6
227.14365	1.7
245.15468	1.5
247.16879	2.3
255.17307	1.4
257.14948	1.7
261.18451	2.6
273.18332	2.0
325.25067	5.9
335.23593	5.0
343.26303	10.3
351.25436	1.7
353.24710	19.9
371.25784	28.1
389.26770	23.1
394.61270	1.5
427.28012	3.1
445.29416	38.5
463.22858	7.6
463.30170	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	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.35934	1.0
53.03931	4.2
53.04332	1.0
55.01866	2.6
55.05502	21.2
57.03426	7.4
57.07067	3.5
59.04996	1.5
65.03925	3.4
67.05494	79.0
67.53227	0.9
69.07057	27.2
71.04981	5.8
71.70610	1.9
73.02909	2.5
79.05478	52.8
81.03413	4.7
81.07042	100.0
83.04975	7.4
83.08607	17.6
85.06535	5.2
91.05464	33.7
93.07028	70.4
95.04957	9.5
95.08593	22.4
97.06517	13.4
97.10153	3.2
99.08082	3.2
105.04462	1.3
105.07014	13.8
107.04946	1.6
107.08575	41.0
109.06517	4.2
109.10131	6.7
111.08047	7.3
113.05993	1.3
115.77983	1.0
117.06985	11.8
119.08546	6.4
121.06516	1.9
121.10118	22.4
123.11690	3.7
129.07016	2.7
130.48885	1.1
131.08560	12.1
133.10123	14.0
135.08098	2.0
135.11652	12.5
143.08444	2.0
145.10115	3.3
147.11687	3.2
149.09581	1.8
149.13232	41.5
157.10081	1.9
159.11664	15.6
163.11200	2.1
167.14256	1.5
177.12698	10.7
195.13765	17.0
198.96964	1.3
213.14816	2.4
223.17384	1.2
227.12704	2.6
279.60315	1.1
362.84158	1.2
371.25922	2.8
389.26782	2.0
445.29410	3.3
463.30585	54.1
464.30875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82915	1.2
53.03933	5.8
55.01865	5.1
55.05499	24.3
56.49293	1.2
57.03427	12.0
57.07067	2.5
65.03928	3.4
67.05492	88.0
69.03416	1.4
69.07051	32.3
69.35739	15.1
71.04990	4.3
71.08617	31.6
79.05476	67.2
81.03398	7.3
81.07039	100.0
83.04975	10.1
83.08601	18.3
85.06078	1.4
85.06553	5.1
91.05462	51.9
93.07027	84.5
95.04954	15.0
95.08588	42.8
97.06520	13.5
97.10168	4.7
99.04422	1.1
99.08080	21.0
105.06998	32.2
107.04913	8.4
107.08571	49.2
109.06539	5.4
109.10133	15.0
111.08046	8.6
112.99992	24.0
113.09627	2.7
117.06995	17.2
119.08558	21.4
121.06506	3.7
121.10120	28.3
121.10964	1.7
123.08028	2.7
123.11696	3.2
125.09601	3.2
128.71263	1.2
129.06973	7.0
131.08546	20.0
133.06503	1.6
133.10103	17.9
135.08040	3.1
135.11667	33.2
135.12622	2.1
137.09628	4.2
139.11166	2.7
141.09090	3.1
143.08582	7.1
145.10114	15.0
147.08073	2.8
147.11687	5.7
149.09599	1.5
149.13229	35.6
151.11160	14.0
153.12738	2.0
155.08571	2.9
157.10129	4.6
159.11655	13.4
161.13243	10.9
163.11183	12.1
169.02588	9.4
169.10199	3.1
171.11717	4.2
172.13106	1.4
173.13243	1.6
175.14920	1.6
177.12706	8.3
179.14272	60.0
180.14606	1.5
181.12260	2.0
183.11780	1.7
185.13303	2.3
187.14774	1.7
189.12762	1.8
195.13754	14.2
197.13231	2.1
199.14838	3.0
207.13797	1.6
209.13336	1.4
211.14743	1.8
213.14827	1.6
221.15367	1.9
227.12704	13.7
227.14392	1.2
235.16937	3.2
241.19638	3.4
259.20605	4.7
277.21579	32.7
277.24615	2.3
335.23782	2.1
343.26358	3.0
351.25226	74.3
352.25620	2.3
353.24832	5.2
371.25690	10.3
389.26813	8.1
445.29459	18.4
463.30630	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.3
53.08711	2.9
55.01846	8.5
55.05503	41.7
56.96556	3.3
57.03416	13.7
57.07055	5.8
61.02896	3.6
65.03919	8.2
67.05498	99.4
69.03397	8.4
69.07065	34.3
71.04979	9.9
71.08627	32.1
71.70467	3.3
71.70830	3.6
73.02907	5.2
78.54658	2.6
79.05480	64.7
81.03410	24.6
81.07047	100.0
83.04973	18.0
83.08598	22.1
85.02866	6.1
85.06525	5.9
85.10184	2.9
91.04929	3.5
91.05467	47.4
93.06439	4.7
93.07030	71.2
95.04954	19.0
95.08594	39.4
97.02859	5.8
97.06494	13.9
97.10132	10.4
98.50336	2.7
98.97571	4.8
99.08087	23.5
105.07005	31.2
107.04927	9.5
107.08580	42.2
109.06506	9.9
109.10136	27.6
111.08063	7.1
112.99258	3.4
112.99998	48.5
115.05428	2.7
117.06992	15.2
119.08549	17.4
120.79649	3.2
121.06469	5.4
121.10144	25.8
123.08056	7.6
123.11632	5.0
125.09631	7.7
129.06985	8.5
131.08589	16.6
133.10117	20.1
135.08006	5.5
135.11682	22.4
137.09581	4.4
143.08531	6.4
145.10104	13.1
147.07939	3.9
147.11639	12.2
149.01181	7.0
149.09648	6.7
149.13268	25.7
151.11180	23.1
151.47194	3.0
153.04237	3.2
153.09073	4.2
157.10153	3.8
159.11653	11.6
161.13269	14.5
163.11159	9.6
163.14844	3.2
165.12679	4.2
165.43665	3.1
169.02541	18.4
171.11630	7.0
173.11711	7.3
175.11180	4.6
175.14786	3.8
177.12720	8.6
179.14276	12.3
185.13202	3.7
187.03644	7.2
189.11195	6.4
195.13750	8.0
209.11681	3.2
220.10266	3.9
227.12717	11.1
229.14314	9.2
231.21031	3.4
241.19485	7.3
259.20471	5.9
267.67822	2.8
277.21622	66.6
287.05548	4.3
292.12418	35.4
292.62711	11.9
351.20950	4.7
351.25226	77.5
352.25580	4.6
371.25433	4.4
389.26736	4.2
445.29013	6.4
463.30692	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	463.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85059	0.6
57.03416	1.3
67.49681	0.9
69.03391	1.1
69.07048	0.9
70.06584	1.2
72.08137	1.4
79.05466	0.7
81.03410	1.8
85.02884	2.4
86.09702	1.3
97.02887	1.0
103.03905	0.9
103.05466	1.0
109.02833	1.1
121.02853	1.8
147.03731	0.9
149.02222	0.7
149.05949	2.7
151.03882	5.2
163.03909	1.5
165.01811	10.0
167.03352	2.4
175.03876	1.6
177.05490	0.8
183.02908	5.3
187.03847	1.5
191.03294	0.7
195.02892	2.1
243.06400	1.1
254.05672	1.3
257.04523	1.1
268.07257	1.2
270.05112	5.0
271.06049	3.2
274.22269	0.9
282.05249	4.4
282.08203	0.9
286.04541	1.2
292.07501	0.8
296.06689	9.5
297.07355	3.5
298.04678	20.0
298.08029	1.5
299.05209	1.4
300.06299	7.1
301.07080	5.0
309.07471	1.5
310.04675	4.2
310.08298	4.6
311.05731	1.0
311.08905	3.5
312.06168	1.8
313.07016	100.0
314.07578	9.0
320.06662	1.5
322.04526	1.1
324.02545	1.3
324.06189	11.2
325.06952	7.1
325.10724	2.1
327.08554	2.1
328.05743	15.1
335.09070	1.4
336.06131	2.6
337.06961	1.6
338.07751	6.7
339.04843	1.2
339.08557	15.4
341.06494	1.2
343.08069	71.4
344.08325	2.7
348.06210	2.2
351.08685	1.7
353.10168	14.6
363.08585	2.7
364.05750	2.2
366.07220	1.5
367.08078	43.3
368.08386	1.6
376.05753	2.1
379.08072	12.9
380.08566	1.3
381.09671	3.5
385.08936	0.8
391.08112	10.2
394.06775	3.2
397.09100	25.1
398.09772	1.2
409.09085	22.3
410.09598	0.9
427.10220	23.2
428.10675	1.0
445.11188	11.3
463.12415	2.9
463.21844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0865
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
52.00026	0.1
57.65247	0.1
68.99768	0.2
69.56047	0.3
69.56461	0.4
71.01333	0.1
73.02875	0.1
83.02271	0.1
85.02874	0.2
91.05457	0.6
95.01295	0.2
98.20660	0.1
113.02335	0.2
119.04925	3.1
121.02840	1.2
123.00770	1.1
131.04904	0.1
135.15074	0.1
141.01740	0.1
145.02795	0.4
147.04422	0.1
151.00233	0.2
157.06444	0.2
160.32269	0.1
169.01295	3.5
171.04338	0.1
173.05783	0.1
179.33118	0.1
184.05147	0.1
187.02333	0.2
187.03940	0.1
189.05453	0.2
195.04283	0.1
213.05420	0.3
231.06369	0.2
241.04935	0.7
245.04343	0.4
247.09415	0.1
258.05264	0.1
259.05960	0.3
269.04391	0.3
286.04617	0.8
287.05444	100.0
288.05780	3.2
301.06906	0.4
463.08633	10.5
464.09177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.7
57.03427	2.3
57.07065	1.6
64.69475	1.0
67.05482	3.3
69.07075	6.4
71.08613	1.5
71.70665	1.3
79.05465	1.4
80.04998	4.1
81.07054	3.8
83.08588	3.6
84.79877	1.1
89.81470	1.1
93.07049	1.4
95.08585	3.8
96.04506	2.7
97.10157	2.0
109.10121	2.4
111.08046	1.2
121.10104	2.2
124.03939	100.0
125.04301	1.5
198.07582	2.7
201.93222	1.2
265.25079	1.3
339.28903	50.9
340.29315	2.3
431.36526	1.2
462.32040	4.1
463.37497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0866
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01860	0.2
57.03425	1.0
60.23812	0.1
65.03942	0.2
67.01837	0.3
68.99783	0.9
69.03403	0.5
69.90672	1.1
71.01340	1.7
73.02531	0.2
73.02907	3.1
75.04461	0.3
81.03403	0.3
83.01315	0.3
84.36279	0.2
85.02893	8.1
95.01333	1.3
95.04928	0.2
97.02851	0.7
99.00797	0.7
101.02348	0.5
103.03893	0.3
105.03365	0.3
107.04924	0.4
109.02849	0.3
111.00793	1.1
111.04407	0.2
113.02349	3.5
117.01820	0.2
121.02846	5.0
127.03912	0.4
131.03391	2.1
133.02850	0.6
135.04333	0.2
137.02299	1.0
139.03867	0.3
141.01793	1.6
145.06467	0.4
147.04364	0.8
151.03897	0.4
153.01796	4.9
156.13811	0.2
157.06458	0.6
159.02881	1.6
163.03860	0.4
165.01801	2.0
171.04387	0.4
183.02872	1.3
185.05992	0.5
213.05414	1.8
231.06502	0.8
241.04951	0.8
247.72876	0.2
258.05249	1.4
259.05960	0.7
265.07007	0.2
286.04803	0.3
287.05447	100.0
288.05774	2.8
295.05859	0.3
299.05673	0.3
301.06906	0.3
313.07111	0.2
343.08081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.7
56.05020	2.6
57.03441	10.6
60.04519	30.5
69.03419	33.0
69.06995	2.0
69.49738	5.5
69.50144	17.8
70.06580	10.7
71.28657	2.4
71.41143	1.9
72.08125	5.2
73.02901	2.7
76.54340	1.9
79.05466	7.0
81.03397	2.9
81.07067	4.6
84.04479	5.5
85.02883	26.4
86.09692	20.1
87.04447	19.8
87.10017	6.5
91.03956	2.3
91.05458	28.3
94.06519	2.8
95.04945	4.2
95.06001	2.4
97.02879	23.0
102.05503	3.8
102.26415	2.1
103.03915	2.5
105.07013	10.5
106.06508	5.1
107.04927	49.3
109.06511	5.4
111.04410	4.0
115.03918	25.0
117.05710	5.1
120.08083	34.7
121.02844	8.9
121.06448	3.1
122.09641	5.0
127.03899	4.3
129.10223	2.5
132.08063	64.6
133.04941	22.4
133.06433	21.8
137.05931	3.4
139.03865	16.6
140.07047	3.7
147.40317	2.1
150.09122	100.0
151.03900	2.9
151.09550	3.2
156.13766	5.8
156.61879	2.0
162.02177	2.6
163.03940	3.2
165.44603	2.6
168.10187	9.3
175.03868	2.8
181.05006	3.9
186.07631	2.2
203.10577	3.0
205.04924	2.8
215.13879	2.8
216.14064	2.5
219.13490	2.4
244.03600	3.1
244.13765	3.5
245.04381	7.6
257.04315	5.3
259.11215	5.4
269.04324	4.3
272.03210	9.5
273.03922	19.2
274.04520	5.5
284.05603	3.2
285.03903	8.8
287.05420	3.0
295.05820	2.7
297.03882	7.2
300.05032	4.4
302.04178	9.4
303.04932	6.6
304.05676	2.8
311.05255	3.5
312.05026	17.8
312.14288	17.7
313.05731	4.4
314.06754	3.5
320.88754	2.1
324.05002	4.6
327.04810	2.6
330.15451	6.7
338.06555	3.0
339.04800	3.2
342.06055	23.2
366.05890	12.2
396.07123	3.6
408.07150	5.8
426.08002	10.4
444.09204	11.9
462.10367	13.8
462.19586	5.9
463.10144	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	462.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01165	0.3
55.01856	1.4
56.93576	0.3
57.03423	1.7
58.19537	0.3
61.02924	3.0
65.03918	1.1
65.73557	0.3
65.89857	0.3
69.03416	7.9
70.02934	2.4
70.06570	0.8
70.24901	0.4
71.01347	0.4
71.04977	0.5
71.16245	0.7
72.08113	0.5
73.02908	1.1
74.00648	4.1
74.02452	0.4
76.02223	0.6
79.05486	0.8
81.03400	2.4
84.04479	0.4
85.02890	17.1
86.09676	1.0
87.04459	1.0
88.03976	51.6
88.41122	0.3
89.03874	0.4
91.03929	1.1
91.04984	0.3
91.05428	1.9
92.01705	0.4
93.03395	3.7
94.95232	0.3
97.02882	6.0
99.04440	1.1
103.05443	1.3
106.04132	1.1
107.04938	1.0
109.01012	0.4
109.02862	2.2
116.01659	0.4
117.03359	1.9
118.04179	1.8
119.04929	3.1
120.01144	6.4
121.06504	0.6
122.02695	1.9
123.02629	4.3
127.03904	3.3
131.04918	1.9
132.05676	2.6
133.00963	0.5
135.02641	0.4
135.04404	0.9
145.02873	0.4
145.04910	2.5
146.03601	18.5
147.02658	0.7
147.04410	3.0
148.05157	0.4
149.05963	7.8
150.01315	1.0
151.02110	13.2
153.05342	0.3
160.05177	0.7
163.01929	0.3
163.02559	0.5
163.03880	4.9
165.00085	0.6
165.03647	2.0
177.05432	9.8
178.06221	53.0
179.01585	39.6
179.04944	0.6
179.06834	2.6
180.02061	0.8
181.03151	3.0
181.08501	0.5
193.03165	2.4
195.01126	0.8
195.04713	0.7
196.01849	2.7
197.02524	0.5
205.03183	0.6
209.02689	0.5
211.04207	100.0
212.04608	2.6
213.05779	5.4
223.05847	0.3
239.07187	0.4
246.04211	0.4
254.08369	1.6
283.06250	2.7
300.08957	34.5
301.09122	1.0
313.06760	0.5
342.09863	0.6
347.12332	0.4
373.09421	3.7
462.14404	2.0
462.19955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.2
55.01867	8.9
55.05502	41.8
56.68496	1.9
57.03205	1.5
57.03436	17.0
57.07066	2.5
62.15774	1.9
65.03921	8.0
67.05493	92.8
69.03420	3.5
69.07053	34.4
71.04960	7.2
71.53533	3.6
76.37100	1.7
77.03925	1.6
79.05481	83.9
80.05820	2.0
81.03391	7.9
81.07043	89.3
82.07352	2.1
83.04955	7.6
83.08598	27.9
85.02895	2.7
85.06535	6.0
91.05465	100.0
93.07027	69.9
93.07529	1.8
95.04950	27.7
95.08002	3.1
95.08590	50.4
97.06535	9.3
97.10155	11.6
99.08089	2.8
103.05438	7.7
104.98985	1.7
105.07012	74.7
107.04937	19.3
107.08572	34.7
109.06506	17.5
109.10140	17.9
109.47827	1.7
111.08075	6.0
112.99995	6.1
115.05403	10.1
116.06210	2.4
117.07001	59.1
119.04925	4.0
119.08565	43.8
121.06494	20.3
121.10135	20.2
123.08057	10.0
123.11657	3.8
123.60571	2.0
125.09588	8.3
128.06194	19.7
129.05537	2.5
129.06985	58.7
129.07964	2.9
130.07751	3.6
131.04890	5.5
131.08548	71.1
133.06493	15.4
133.10112	29.3
135.08058	10.7
135.11646	11.1
137.05951	15.3
137.09592	7.4
139.11232	2.4
141.06941	21.2
142.07741	8.0
143.08540	51.9
145.06453	24.4
145.10115	36.9
147.08025	15.0
147.11642	11.5
149.09612	12.0
149.13229	7.5
151.11142	5.4
153.06981	5.4
154.07742	6.2
155.08539	32.7
156.09326	2.7
157.06445	6.8
157.10104	23.7
159.08005	12.8
159.11661	19.3
161.05998	2.8
161.09573	11.3
161.13231	3.2
163.11168	6.7
165.06989	4.4
165.12711	2.8
167.07120	2.5
167.08539	16.0
168.09294	4.4
169.02635	2.7
169.10072	22.6
170.10733	2.3
171.08032	9.0
171.11661	20.2
173.09641	6.5
173.13263	7.4
175.09807	2.1
175.11127	9.1
177.12741	4.2
179.08565	7.6
180.09395	2.7
181.04886	2.4
181.10104	16.2
183.08078	3.6
183.11655	15.1
185.09604	5.4
185.13188	14.1
187.11160	7.3
187.14789	3.0
189.09264	2.3
189.11232	5.4
189.12798	3.1
193.10168	6.4
193.12114	3.0
195.11662	14.3
197.09607	3.6
197.13211	11.6
199.11261	3.8
199.14830	8.2
201.09190	1.8
201.12717	5.6
203.10585	2.0
203.14279	2.1
205.10150	3.0
207.11713	6.2
207.13707	1.8
209.13266	10.8
209.14963	1.9
211.11232	5.6
211.14735	9.3
213.12759	10.2
213.16321	2.7
215.14316	6.9
217.15862	6.1
221.13300	7.9
223.14760	10.2
225.12712	7.2
225.16339	4.0
227.14378	4.1
229.15907	5.3
231.13730	4.2
231.17415	2.0
233.08118	2.9
233.15363	2.2
235.14824	7.9
237.16353	4.2
239.14264	5.6
241.14177	2.2
243.13841	3.5
245.15332	5.1
251.68886	1.9
253.15907	5.4
257.15372	8.1
259.16934	4.3
271.16812	8.2
273.18515	4.8
275.16489	2.2
275.19986	7.7
285.18359	3.4
295.24139	1.9
302.35425	2.1
323.23682	13.8
327.23083	2.6
333.22101	14.2
337.10577	2.1
339.73669	1.8
341.24646	19.0
349.23697	8.0
351.23117	55.4
352.23492	3.7
359.25592	3.1
369.13794	2.9
369.24182	96.1
370.24652	4.8
387.25238	44.7
395.42712	1.9
397.27374	2.0
399.25244	2.5
401.16284	2.8
405.26099	3.4
415.28403	3.1
417.26529	3.1
425.26791	6.9
443.22473	1.2
443.27835	80.6
444.28293	5.0
461.28928	93.2
462.29272	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	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.8
53.03923	7.1
55.01870	8.3
55.05242	2.4
55.05501	33.7
57.03425	18.1
57.07060	2.8
60.46797	1.4
65.03911	5.9
67.05493	78.2
67.71586	1.5
69.03423	11.2
69.07056	26.0
70.52336	1.6
71.01334	5.7
71.04977	7.6
71.70216	3.3
73.02915	2.1
73.06557	2.1
79.05477	73.6
81.03404	21.3
81.07041	65.6
81.07423	1.0
81.07533	1.7
83.04956	15.2
83.08597	10.1
85.02895	3.2
85.06517	3.1
91.05461	69.7
93.07029	68.0
95.01318	7.9
95.04947	20.8
95.08590	38.0
97.02876	17.0
97.06525	10.8
97.10164	6.7
99.04427	4.6
101.95396	1.8
103.03915	1.8
103.05435	3.8
105.07008	49.6
107.04920	10.6
107.08575	31.9
109.02825	4.0
109.06482	6.6
109.10133	15.3
111.04408	6.8
111.08078	4.2
114.66679	1.4
115.05421	6.5
117.07014	24.4
119.08557	34.6
121.06496	7.6
121.10141	14.0
123.04438	5.1
123.08050	4.6
123.11687	4.3
125.05921	1.8
125.09560	3.9
127.03899	1.9
128.06177	7.7
129.06958	27.0
130.07730	2.1
131.04875	2.6
131.08551	29.2
131.09477	3.1
133.06470	7.3
133.10114	20.1
135.04416	1.9
135.08008	4.7
135.11671	24.0
137.05928	3.8
137.09563	2.8
141.06963	5.7
142.07764	3.3
143.08542	22.5
143.52269	1.7
144.09293	3.0
145.06485	7.7
145.10095	23.1
147.08017	6.1
147.11656	22.6
149.05963	2.5
149.09615	3.8
149.13217	2.9
151.07491	2.3
153.06970	3.1
154.07690	2.3
155.07323	1.9
155.08513	12.1
156.09360	3.3
157.06422	4.9
157.09283	1.3
157.10143	13.9
159.08089	7.6
159.11644	14.6
161.05965	5.7
161.09596	6.7
161.13249	10.7
163.07529	2.1
163.11156	6.1
167.08563	2.9
168.09410	2.2
169.06497	2.4
169.10088	9.6
171.06615	2.1
171.07986	7.5
171.11644	18.8
173.06065	2.0
173.09622	5.0
173.13202	8.2
175.07571	4.6
175.11127	3.4
175.14854	2.6
177.09058	1.8
177.12599	2.2
181.10127	4.4
181.12224	3.1
183.06589	2.2
183.08073	4.2
183.11693	6.4
185.09602	6.7
185.13266	5.7
187.07526	2.6
187.11157	6.3
187.14793	4.5
189.09224	2.3
189.12694	7.9
193.10063	3.1
195.11682	4.3
197.09616	2.9
197.13214	4.1
199.11143	3.7
199.14798	4.5
201.09103	2.6
201.12718	3.7
203.10667	3.3
203.14433	1.6
205.12105	2.6
207.11877	3.5
207.13811	9.9
209.13280	3.8
211.11160	2.9
211.14745	2.0
213.12679	3.3
215.10733	2.0
215.14241	1.9
217.15808	2.8
221.13321	3.0
223.14894	2.1
225.16386	2.2
227.14267	3.9
239.14375	2.1
259.20541	5.6
271.20590	2.3
273.22159	2.4
285.22162	2.5
297.22021	1.7
309.21906	2.3
315.23169	4.9
323.23779	3.0
327.23178	7.2
333.21948	2.3
335.25702	8.2
341.24796	6.4
345.24460	3.2
346.49915	1.6
351.22910	12.3
357.24048	1.8
359.25983	3.0
365.27051	2.4
369.24139	32.2
369.28329	2.8
387.25140	13.3
425.26941	4.7
431.27933	2.0
433.29504	2.3
443.21851	2.6
443.27908	45.1
444.27911	3.7
461.28922	100.0
462.29294	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	461.2891
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
52.97340	1.3
53.03931	3.6
55.01851	4.6
55.05502	16.2
57.03418	5.1
57.07056	2.9
65.03930	2.5
67.05495	24.2
69.03394	3.8
69.07071	10.5
71.01350	2.3
71.04964	2.4
71.08618	2.0
73.02915	1.5
79.05479	21.1
81.03409	14.0
81.07040	22.7
83.04968	6.2
83.08592	3.7
84.87141	1.2
85.06501	1.6
87.04475	1.4
91.04916	2.1
91.05463	24.7
93.07034	18.6
95.04956	21.5
95.08602	13.3
97.02850	2.6
97.06509	4.9
97.10157	3.7
98.20689	4.4
103.05460	2.6
105.07009	23.5
107.04951	8.7
107.08591	10.4
109.02847	2.6
109.06495	3.0
109.10140	6.1
111.04417	3.1
112.99989	5.3
115.05402	2.8
117.07006	14.8
119.08562	12.9
121.06461	4.2
121.10111	6.4
123.04404	5.3
123.08042	2.0
125.09550	1.5
128.06194	6.4
129.06978	17.9
131.04868	3.6
131.08557	20.6
133.06499	6.9
133.10106	8.5
135.11668	3.5
137.09570	1.9
141.06982	8.0
142.07773	5.7
143.08513	17.5
144.05698	2.4
145.06465	14.0
145.10081	10.5
147.08003	6.2
147.11667	5.3
149.09601	2.7
149.13220	2.7
153.06955	3.1
155.08525	14.2
156.09229	2.3
157.06444	7.7
157.10110	12.2
158.08484	2.0
159.08017	10.6
159.11655	5.5
161.09605	3.8
161.13193	2.2
165.06978	3.0
167.08545	7.6
168.09344	1.4
169.02594	2.5
169.06413	3.4
169.10101	7.0
171.08063	10.7
171.11658	8.8
173.09607	4.4
173.13165	3.1
175.07564	1.7
175.11208	2.0
177.12787	2.5
178.07718	1.9
179.08519	2.6
181.10086	4.5
183.07993	7.4
183.11699	4.9
184.08717	2.0
185.09578	10.5
185.13222	5.6
187.07547	4.0
187.11198	3.8
189.09129	2.9
189.12759	2.2
193.10132	1.9
193.12209	1.5
195.11716	3.1
197.09601	6.4
197.13287	3.6
198.10437	2.2
199.11166	5.0
199.14844	4.8
201.09093	3.2
201.12747	3.8
207.11641	3.1
209.09595	1.5
211.11142	3.8
211.14827	2.3
213.12746	5.1
213.16286	1.7
215.14275	2.6
217.15790	2.0
218.02142	1.5
221.13170	2.2
223.14861	2.1
225.12730	2.7
227.14296	5.5
231.13802	1.5
239.14275	2.7
241.15933	3.4
243.13832	3.7
253.15939	2.0
257.15298	2.4
259.16730	1.9
259.20709	1.6
275.02243	1.3
275.19986	3.4
283.20236	1.6
293.21005	2.5
295.16907	1.6
297.22110	2.1
299.23663	1.7
309.22107	3.7
311.05597	1.6
313.18100	1.6
323.23599	3.1
325.21603	4.0
327.23080	5.0
333.22098	2.3
341.24695	9.1
349.23593	3.5
351.23212	14.9
354.45169	1.4
367.24863	3.2
369.24176	43.9
387.25256	9.5
425.26834	3.2
431.28046	2.0
443.27878	100.0
444.28171	4.0
461.23312	3.0
461.28900	70.1
462.29251	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55575	3.3
53.03941	7.9
55.01857	10.2
55.05502	38.4
55.71150	3.4
57.03415	9.2
67.05493	68.2
68.93566	3.8
69.03413	6.0
69.07052	19.7
70.06551	4.6
70.94965	9.6
71.04975	8.5
77.61563	3.3
79.05475	69.4
81.03391	22.1
81.07037	74.0
83.04961	10.7
83.08604	18.5
84.08163	3.7
85.02899	6.5
85.06529	5.6
91.05464	66.1
93.07029	69.0
93.17802	3.8
95.04961	37.6
95.08587	39.8
97.02863	9.4
97.06486	7.8
97.10137	10.5
105.07007	39.5
107.04942	16.7
107.08557	29.3
109.02847	7.6
109.06485	10.3
109.10143	19.3
111.04442	5.3
111.08061	3.8
115.05451	5.5
117.06989	24.5
119.08577	29.9
121.06506	19.7
121.10143	10.8
123.04394	4.9
123.08080	17.8
123.11705	10.4
125.09612	12.2
127.03905	8.9
128.06209	4.6
129.06978	24.0
131.04886	5.2
131.08565	20.9
133.06458	13.5
133.10103	16.9
135.04315	4.1
135.08046	11.8
135.11699	6.8
137.05936	7.8
137.09656	4.8
139.19699	3.9
143.08551	18.2
145.06516	9.5
145.10065	17.8
147.08029	12.3
147.11670	28.3
149.09604	10.5
151.07512	100.0
153.29703	4.1
155.08582	4.2
157.10110	11.8
159.08051	10.0
159.11655	7.1
161.09604	10.4
161.13158	4.8
163.11189	7.4
165.09070	13.9
167.07056	5.0
169.10077	3.8
171.11679	16.7
173.09607	9.1
175.11224	5.3
177.09082	41.1
177.12766	7.7
181.10054	6.0
183.11700	5.9
189.11125	7.3
189.12686	9.2
190.09698	4.9
191.10637	81.4
193.12106	4.2
197.13210	6.9
199.11145	5.2
199.14893	4.8
203.10693	4.2
205.12206	53.7
207.13734	19.8
217.15793	4.2
225.12469	3.9
231.13597	4.1
281.17410	60.4
311.05618	6.0
351.23254	10.4
369.24234	21.3
387.25226	16.9
405.25940	6.4
443.27805	25.7
461.23126	6.2
461.28882	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.8
57.03432	11.1
63.22894	7.5
64.10952	8.5
67.05492	58.9
69.07064	28.3
70.00202	17.1
70.00620	30.7
79.05487	62.3
81.03400	18.0
81.07037	52.7
83.08598	9.6
91.05460	52.1
93.07034	53.6
95.04958	25.0
95.08595	31.6
105.07000	38.6
107.04933	19.0
107.08595	26.4
109.06535	12.7
109.10085	12.5
110.16022	8.5
113.78726	8.5
115.05455	9.8
117.06996	22.4
118.56481	7.9
119.08546	42.2
121.06438	11.9
121.10146	17.9
123.08013	7.9
123.11636	9.1
129.06996	17.0
131.08556	27.2
133.10104	18.8
135.08038	10.8
137.05995	10.5
143.08530	10.0
145.06383	9.6
145.10132	14.2
147.11670	14.4
149.09637	10.5
151.07510	39.9
159.11636	13.1
163.07722	7.7
165.09088	21.7
167.07121	11.7
171.11673	14.9
177.09041	10.9
177.12682	9.0
191.10616	38.3
205.12242	17.7
281.17429	100.0
369.24109	24.2
443.27576	18.8
461.23050	10.1
461.28986	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	14.9
55.05497	34.5
57.03421	11.6
67.05508	65.9
69.03419	14.5
69.07057	19.1
69.57047	8.4
70.91052	20.4
72.02235	9.1
79.05488	58.5
81.03386	14.2
81.07047	60.8
83.08588	8.0
85.06532	11.4
91.05473	54.0
93.07028	56.0
95.04943	38.6
95.08607	32.8
97.10158	18.6
98.21383	9.5
98.97619	8.8
100.11197	8.3
105.07011	41.0
107.08595	20.9
109.10151	9.5
117.06992	14.3
119.04914	9.4
119.08570	37.4
123.08027	17.5
129.07021	19.4
131.08548	21.6
133.10164	12.3
135.08084	8.7
137.05965	24.8
143.08646	8.9
145.10086	24.6
147.08029	13.8
147.11674	16.2
149.09518	12.3
151.07521	48.0
157.10123	11.3
159.11731	11.5
161.09741	9.5
165.09111	16.9
167.07057	16.3
171.11696	10.7
177.09081	10.0
181.12241	7.8
191.10699	26.6
201.12592	9.2
205.12253	10.9
281.17468	100.0
297.87357	9.7
369.24100	25.3
440.18781	9.1
440.68692	11.3
443.27750	20.6
461.28842	57.0
462.28464	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	461.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
54.72493	0.3
55.01867	0.9
55.05494	0.3
56.05016	0.5
58.99581	0.7
62.06060	0.4
65.03922	1.4
67.05492	7.9
68.84210	0.3
69.07043	0.7
70.02938	0.3
70.05641	1.4
72.08135	2.6
74.00655	0.4
76.02212	3.7
76.03994	2.3
76.62089	0.3
79.05472	0.6
80.05006	1.7
81.07034	1.0
82.06570	0.7
82.60165	0.3
83.04959	0.3
83.20018	0.3
84.04490	6.5
84.08118	0.5
85.04001	0.3
86.09690	4.2
90.04983	0.3
91.05463	1.3
93.05759	1.0
95.04953	10.0
97.02924	0.3
99.05547	0.4
102.05530	1.1
108.04472	1.4
108.08095	5.9
109.07648	0.3
110.06026	2.3
110.13997	0.3
112.02155	0.3
116.01643	1.0
125.00591	0.5
126.03734	0.5
126.09148	0.7
129.10210	0.4
130.05005	2.3
135.06839	0.3
136.07553	81.3
137.07901	1.3
138.09070	0.4
139.03125	0.5
140.05246	2.6
141.32411	0.3
142.03181	1.0
142.06853	0.4
144.01138	0.5
145.06059	1.0
149.03836	0.4
149.49051	0.3
151.05681	0.3
152.07036	1.1
153.06580	0.4
154.08603	100.0
155.08963	1.1
156.10193	1.3
160.00584	0.4
162.02170	1.6
168.04779	2.2
170.06294	0.4
177.03258	2.5
179.04791	5.3
181.06149	0.4
185.03780	2.8
185.05305	0.5
186.05801	2.3
201.12366	0.4
212.07202	0.3
215.10179	0.3
229.09872	0.5
229.11894	0.4
231.04321	6.9
233.05920	2.3
240.06834	0.6
243.08080	2.0
247.12827	0.7
272.03162	0.5
273.03955	0.4
288.06430	0.4
291.06381	0.5
295.11026	1.2
297.03796	0.4
302.04147	0.5
306.07452	0.9
308.09058	7.3
321.01611	0.4
330.02191	0.3
332.12711	5.8
342.05902	0.8
381.03598	0.7
398.13791	0.9
461.06577	0.4
461.16959	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	461.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	22.6
57.34402	21.4
69.03417	20.3
69.59058	21.8
71.56134	35.9
72.08141	96.1
80.79320	20.7
84.04490	28.1
85.02859	52.4
86.09689	100.0
97.02929	22.5
118.08597	47.2
119.01916	45.2
127.03838	25.5
131.01923	39.0
143.01923	62.4
149.01901	27.7
152.02429	43.5
153.51376	23.3
161.02930	26.8
173.02910	58.9
179.02959	33.3
186.35823	23.6
187.04787	23.3
203.04066	77.2
209.02066	29.2
224.04590	33.6
227.03806	24.3
461.04852	62.9
461.13754	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	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01862	9.3
57.03432	5.5
60.04504	1.8
61.02922	5.6
67.05486	1.4
68.71175	0.7
68.99772	3.9
69.03419	29.5
70.06570	1.4
71.01313	0.9
71.04979	4.9
71.69730	0.7
73.02903	8.1
79.05457	1.3
80.05018	1.4
81.03407	31.4
81.03881	2.1
81.07034	1.1
83.01345	0.9
84.04472	1.3
84.08124	1.2
85.02893	78.2
87.00814	35.5
87.01228	0.6
87.01358	0.9
87.04460	1.1
91.03923	1.4
91.05476	1.4
97.02879	31.6
98.06013	1.0
99.04442	14.7
103.05456	7.1
104.96487	0.8
105.01855	26.0
105.03364	1.2
105.07007	4.0
107.04939	7.7
108.04462	10.1
109.02861	35.2
111.04465	1.2
115.03889	1.8
115.05495	1.4
117.01826	4.3
126.05461	4.4
127.03896	56.8
128.04300	1.0
129.01805	4.1
131.04926	2.0
135.08032	6.9
139.03889	3.5
145.04938	27.4
145.06093	1.7
147.02859	3.3
152.25188	0.8
154.06226	35.6
159.02873	19.8
162.40744	1.0
163.07520	29.1
163.08894	1.8
165.09094	2.6
166.09297	1.1
167.06975	2.3
180.07793	2.3
187.81601	0.8
189.03944	1.2
195.10144	100.0
196.10431	1.3
213.03885	2.6
230.06589	3.3
231.04953	12.5
244.35815	0.9
248.07719	5.0
266.08752	0.9
281.11707	1.0
409.54196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2734
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03917	2.1
55.01862	4.4
55.05500	13.8
57.03428	6.3
57.07040	1.0
65.03926	1.9
67.05145	1.0
67.05495	14.4
69.03407	5.8
69.07056	10.7
71.04985	1.5
72.74611	1.0
75.31556	0.9
79.05475	13.1
81.03405	16.4
81.07044	15.3
82.66242	0.9
83.04986	4.7
83.08622	4.4
85.02882	1.1
91.05466	17.0
93.07033	12.7
95.01329	1.0
95.04960	15.0
95.08580	8.9
97.02879	2.6
97.06499	1.4
97.10161	2.5
99.04453	1.5
103.05453	1.7
105.07024	14.1
107.04945	5.5
107.08582	6.2
109.02853	2.3
109.06476	2.9
109.10134	2.6
111.04416	4.0
111.08121	1.3
115.05437	4.1
116.06232	1.3
117.06999	12.9
119.04973	1.0
119.08552	10.0
121.06502	2.3
121.10128	3.9
123.04404	3.1
123.08038	1.3
125.09564	1.6
128.06195	9.2
129.06985	18.0
130.07768	1.2
131.04929	1.6
131.08546	12.4
133.06424	2.2
133.10088	5.9
135.08087	1.1
135.11653	1.7
137.05946	1.4
141.06958	14.3
142.07739	5.1
143.08540	20.3
144.09308	1.4
145.06493	4.9
145.10083	11.0
147.04329	1.2
147.08023	3.1
147.11641	2.1
149.09581	1.7
152.06245	1.1
153.05765	0.9
153.06978	7.1
154.07756	7.0
155.08525	23.2
156.09140	1.7
157.06493	6.5
157.10107	13.3
158.07303	1.2
159.08047	5.4
159.11702	5.8
161.05971	2.1
161.09575	2.1
161.13281	1.3
163.07542	0.9
165.06973	6.9
166.07753	5.3
167.08539	13.8
168.09314	5.3
169.06485	4.5
169.10097	18.5
170.07245	1.1
171.08005	8.3
171.11649	7.7
173.09578	3.5
173.13217	2.9
175.07538	1.2
178.07741	4.0
179.08531	6.8
180.09311	3.1
181.06494	3.9
181.10075	13.6
182.07259	3.2
182.10857	2.8
183.08064	9.3
183.11661	15.1
184.08771	1.6
185.09622	7.1
185.13205	4.9
187.07497	2.6
187.11137	2.2
189.12833	1.1
190.07661	1.2
191.08549	3.3
192.09268	3.1
193.10077	6.5
194.07228	1.4
194.11006	1.5
195.08000	10.1
195.11674	10.6
196.08800	4.2
196.12251	1.4
197.09578	12.1
197.13217	10.8
198.10292	2.8
199.07550	1.6
199.11115	5.1
199.14760	2.8
201.09088	2.6
201.12733	2.3
205.10091	2.4
206.10880	1.8
207.11589	5.1
208.08862	1.5
209.09592	9.1
209.13188	6.6
210.10406	4.7
211.11166	10.3
211.14780	4.8
212.11784	1.3
213.09094	3.7
213.12721	4.6
213.16219	1.1
215.10765	2.1
215.14319	1.5
217.10016	1.1
219.11700	3.2
221.09608	1.4
221.13254	4.3
222.10312	1.5
223.11131	8.8
223.14813	3.6
224.11893	2.4
225.12753	7.1
225.16350	1.7
227.10652	3.3
227.14252	1.2
229.12202	2.1
233.09583	1.0
233.13245	2.4
235.11098	1.4
235.14822	1.8
237.12775	5.5
237.16292	1.7
239.14340	3.4
241.12216	1.9
243.13884	1.7
251.14279	3.3
253.15869	1.5
255.13815	2.0
265.15881	1.5
265.19522	1.2
269.15524	1.4
279.20956	1.7
283.17010	1.2
289.19308	1.0
293.19025	1.2
295.20520	1.0
303.21170	1.2
307.20554	4.3
311.20065	2.2
321.22226	5.5
323.19949	1.8
325.21594	3.7
337.21643	3.1
339.23087	7.6
347.22171	1.8
349.21439	17.2
355.22559	1.3
357.24203	2.0
359.22015	1.2
367.22610	31.8
368.23038	2.3
385.23633	11.4
413.27075	1.8
423.25525	4.5
429.26373	7.3
441.26306	100.0
442.26700	9.2
459.27359	55.8
460.27798	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	459.2734
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
51.35349	0.9
52.78919	0.8
53.03930	3.5
55.01867	5.5
55.05238	1.2
55.05497	20.0
57.03426	6.9
59.35101	0.8
65.03924	1.3
67.05145	1.0
67.05495	20.4
68.83920	0.9
69.03420	5.0
69.07056	11.3
70.43634	3.4
70.61134	0.8
70.75613	0.8
71.01344	1.5
71.04970	3.3
79.05481	20.9
81.03408	13.7
81.07039	19.9
83.04967	6.0
83.08598	7.9
85.02893	2.1
85.06512	1.4
87.04452	1.2
91.05463	19.5
93.06492	1.7
93.07025	14.6
95.01305	1.6
95.04953	13.1
95.08587	11.6
97.02867	2.6
97.06499	1.8
97.09659	0.9
97.10169	9.1
99.04438	1.1
103.05447	4.4
105.03361	1.2
105.07013	18.6
107.04949	4.9
107.08576	11.6
109.02881	1.8
109.06509	2.6
109.10141	4.8
111.04442	4.1
111.08065	2.2
115.05401	6.0
116.06184	1.8
117.06998	19.7
119.04884	1.0
119.08548	9.6
121.06475	3.9
121.10097	3.6
123.04414	1.9
123.08057	2.8
125.09583	6.1
128.06189	9.1
129.05519	1.1
129.06978	21.1
131.04895	3.3
131.08533	19.0
132.08839	1.5
133.06474	3.1
133.10107	6.7
135.08020	3.5
135.11650	2.0
135.32632	0.8
137.05992	2.2
141.06966	16.5
142.07782	5.9
143.04872	1.4
143.08539	19.9
144.09314	1.7
145.06485	7.3
145.10101	12.1
146.07147	0.9
147.04449	1.1
147.08002	3.8
147.11670	2.4
149.09616	2.9
152.06221	1.3
153.06943	8.2
153.09099	1.1
154.07759	7.2
155.08519	22.7
156.09271	2.1
157.06454	8.0
157.10071	12.3
158.07196	1.7
159.08009	4.4
159.11655	7.1
161.05977	1.8
161.09598	2.5
161.13243	1.3
164.39621	0.9
165.06966	6.2
165.09010	1.6
166.07727	5.3
167.07152	1.9
167.08521	15.9
168.09293	3.8
169.06453	3.4
169.10094	20.3
170.07166	1.6
170.10585	0.9
171.08061	8.0
171.11664	9.5
172.08775	1.5
173.05940	1.4
173.09627	3.9
173.13229	4.1
175.07486	3.0
175.11086	1.6
178.07747	2.5
179.08553	8.4
180.09326	3.4
181.06480	4.0
181.10103	15.1
182.07259	3.3
182.10846	2.9
183.08028	9.5
183.11655	14.7
184.08760	1.6
185.09584	7.0
185.13196	5.4
186.10330	0.9
187.07507	2.6
187.11125	4.3
187.14796	4.5
189.09270	1.3
189.11197	4.9
191.08594	2.7
192.09366	2.2
193.10025	6.3
194.07205	1.6
194.10799	1.2
195.08031	6.6
195.11649	10.4
196.08759	3.1
196.12329	1.8
197.09590	11.3
197.13223	11.3
198.10313	1.1
199.07507	1.7
199.11118	6.1
199.14798	2.6
201.09082	1.4
201.12758	2.8
203.08575	1.3
203.10608	0.9
205.10089	3.5
206.10951	1.2
207.11618	6.6
208.08823	1.3
209.09583	9.0
209.13217	9.0
210.10324	4.4
211.11157	9.6
211.14812	3.8
212.11771	1.4
213.09056	2.7
213.12729	5.3
215.10645	2.5
215.14291	15.9
219.11710	2.7
221.09637	1.3
221.13226	5.5
223.11182	6.5
223.14746	4.7
224.11942	3.1
225.12694	9.6
225.16251	1.6
227.10664	1.8
227.12711	3.7
227.14510	2.1
229.12241	2.6
231.11542	1.4
231.13742	1.3
233.13199	2.6
233.15324	1.1
234.69113	0.9
235.11147	1.1
235.14748	2.8
236.11786	1.1
237.12766	6.3
237.16270	1.4
238.13385	1.6
239.14279	5.3
241.12178	3.2
241.15865	1.2
243.13751	1.9
245.08035	2.3
251.14310	3.2
251.17860	0.9
253.15834	2.3
255.13786	3.7
257.15384	1.4
257.18707	0.8
265.15836	1.6
267.17325	0.9
269.15198	1.4
269.18951	1.0
271.17105	1.2
277.19333	1.2
279.17188	1.3
283.17169	0.9
291.17175	1.3
293.19046	1.5
295.20551	1.6
297.22046	1.7
307.20306	1.9
309.21988	1.5
311.23502	0.9
321.18930	1.0
321.22089	5.5
323.19980	2.0
325.21646	3.2
327.23053	1.1
331.20517	3.6
337.21478	1.8
339.23026	9.3
343.22614	0.9
349.21487	20.8
350.21973	1.3
351.23151	1.0
357.24307	2.0
367.22629	40.1
368.23004	2.7
385.23660	13.6
386.23972	1.1
403.20303	1.0
403.24963	1.3
413.26569	1.6
415.24326	1.1
423.25064	4.8
429.26385	5.0
441.26300	100.0
442.26782	9.0
459.27319	64.2
460.27850	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	459.2735
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.19899	1.2
53.03933	4.5
55.01851	7.2
55.05506	18.6
57.03434	7.1
57.07076	2.1
65.03926	1.7
67.05495	22.6
69.03412	5.9
69.07060	10.5
70.64287	1.8
70.64632	5.4
71.04977	2.3
79.05482	21.0
81.03413	21.0
81.07044	19.4
83.04957	4.2
83.08601	6.6
85.02866	2.3
85.06508	3.5
87.85886	1.3
91.05472	23.1
93.07034	15.9
95.04957	15.8
95.08605	12.1
97.02882	4.1
97.06487	1.4
97.10159	4.8
98.20794	1.6
101.05979	1.5
103.05444	4.2
105.07019	20.9
107.04935	6.0
107.08560	7.8
109.02893	3.7
109.06459	1.7
109.10131	7.0
111.04440	6.4
111.08080	1.9
113.00016	3.5
115.05444	4.9
117.06995	12.7
119.04862	1.7
119.08569	11.4
121.06467	3.6
121.10130	3.6
123.04388	2.3
123.08053	2.6
125.09610	4.1
128.06194	10.3
129.06987	22.0
130.07805	2.2
131.04926	2.5
131.08562	15.2
133.06444	2.0
133.10132	9.4
135.08029	3.0
135.11671	3.0
141.06975	16.3
142.07759	7.3
143.08553	20.0
144.09294	1.7
145.06485	9.2
145.10106	11.7
147.08073	2.6
147.11687	2.3
149.09496	2.0
151.11177	1.6
152.06241	2.1
153.06998	9.2
154.07747	8.0
155.08533	27.5
156.09271	4.0
157.06477	6.5
157.10094	14.2
158.07072	1.6
159.08054	7.0
159.11649	5.6
161.05980	4.2
161.09570	2.3
165.06979	11.3
165.09109	2.3
166.07809	3.3
167.08536	16.6
168.09349	7.5
169.06467	1.7
169.10110	22.6
170.10806	1.4
171.07979	12.9
171.11658	11.1
173.05858	1.8
173.09668	4.8
173.13225	4.6
175.07536	4.1
175.11185	2.0
178.07620	3.2
179.08548	8.6
180.09315	4.6
181.06526	5.4
181.10094	17.9
182.07269	4.7
182.10843	1.8
183.08020	10.4
183.11659	16.1
185.09598	10.0
185.13200	8.8
187.07501	2.5
187.11194	4.6
187.14815	2.2
189.09261	2.1
189.11182	3.2
191.08635	2.9
192.09282	3.0
193.10120	8.0
194.10823	2.0
195.08034	13.0
195.11665	13.4
196.08762	4.2
196.12439	1.6
197.09593	11.7
197.13251	12.5
199.11180	6.8
199.14720	2.7
201.09148	2.1
201.16437	2.0
204.09358	2.2
205.10152	3.4
206.10959	2.4
207.11694	6.8
209.09641	8.8
209.13205	8.3
210.10309	2.3
211.11223	10.2
211.14709	5.1
212.11925	1.8
213.09192	1.7
213.12732	6.5
215.10606	1.8
215.14232	4.8
219.11728	4.7
221.13226	5.3
223.11215	9.4
223.14760	3.7
224.12029	1.9
225.12700	7.8
225.16298	2.8
227.10661	2.7
227.14406	3.1
229.12302	1.9
233.13152	2.6
235.14832	1.7
237.12651	8.3
238.13496	2.1
239.14262	7.1
239.17984	1.9
241.12184	2.6
251.14238	6.6
255.13840	2.1
255.17444	1.8
265.15765	3.1
269.15347	3.2
280.26346	2.1
293.18909	3.4
307.20544	3.6
321.22192	5.8
325.21674	3.2
331.20572	3.5
337.21426	3.4
339.23187	9.0
349.21530	21.7
350.21863	1.7
357.24127	2.9
367.22635	35.1
368.23047	2.6
385.23752	12.9
407.61441	1.7
413.26764	2.3
423.25272	3.6
429.26340	11.3
441.26291	100.0
442.26599	7.1
459.21747	2.6
459.27310	73.2
460.27380	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01865	12.7
55.05234	3.5
55.05502	69.0
57.03421	7.1
65.03935	4.1
67.05494	60.4
69.03408	7.5
69.07057	17.1
70.06590	1.8
71.04990	2.6
71.70432	2.7
71.70795	2.3
72.97910	1.9
75.03526	1.8
79.05481	63.6
81.03391	5.2
81.07043	42.9
83.04974	9.1
83.08607	30.4
85.06534	2.4
91.05470	55.2
93.03431	2.3
93.07025	25.1
95.04939	11.0
95.08592	17.3
97.06512	4.2
97.10159	54.9
99.08082	1.7
103.04812	2.7
103.05452	25.5
105.03368	3.8
105.07013	43.4
107.04951	10.2
107.06951	1.5
107.08574	29.4
109.06513	5.8
109.10151	14.1
111.08063	5.3
115.05440	14.3
117.07002	61.7
118.22284	1.4
119.04932	2.3
119.08573	24.1
121.06480	5.3
121.10120	7.2
123.04451	1.8
123.08060	2.9
125.09613	49.4
125.10499	3.5
128.06201	8.8
129.06978	33.4
131.04913	8.0
131.08551	52.3
133.06482	11.0
133.07347	1.8
133.10155	7.3
133.50137	1.8
135.08026	11.4
137.09630	2.3
141.06958	13.4
142.07803	2.3
143.04932	2.3
143.08543	17.4
145.06442	17.0
145.10100	17.7
147.08054	6.5
147.11676	3.1
149.09587	5.0
153.07001	2.9
153.09087	5.6
154.07770	3.5
155.08531	19.2
157.06465	8.1
157.10062	10.8
159.08026	7.6
159.11676	8.8
161.06015	1.7
161.09706	2.0
163.11108	1.5
167.07222	2.3
167.08482	8.3
168.09305	1.9
169.10123	16.4
171.08055	4.9
171.10289	3.2
171.11703	7.9
173.09590	4.6
173.13274	4.5
175.11113	2.5
178.07718	2.1
179.08559	3.1
181.10097	4.7
182.10847	2.4
183.07974	3.3
183.11639	6.0
185.09636	3.3
185.13184	7.4
187.11182	2.5
187.14760	19.0
189.11200	33.7
195.08040	2.4
195.11711	6.0
197.09605	2.8
197.11548	2.9
197.13214	23.7
199.11191	4.0
207.11633	2.6
209.09645	1.8
209.13237	4.2
211.11188	1.7
213.12778	8.4
215.14278	100.0
216.14659	4.8
219.11682	1.9
221.13260	3.3
223.11188	3.1
223.14888	2.6
225.12764	3.1
227.10553	1.3
227.12704	36.3
231.13789	1.8
233.15453	3.7
235.14891	1.9
237.12698	2.5
241.12233	6.0
241.16014	2.0
243.13983	2.0
245.07999	3.8
245.13763	2.7
255.13728	3.3
257.15475	1.9
259.13403	3.5
271.16879	5.9
273.14667	1.8
289.18018	3.3
321.21997	5.3
331.20642	2.6
339.23209	7.3
349.21530	18.5
357.24109	3.3
367.22623	45.5
368.22824	4.2
385.23669	27.8
403.24722	6.3
423.24860	3.9
441.26306	65.9
442.26651	5.3
459.27341	91.6
460.27695	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	30.0
55.01852	14.4
55.05506	25.6
57.03430	25.4
57.07053	3.8
61.02616	4.2
61.02914	83.3
65.03946	6.9
67.05494	79.8
69.03416	40.4
69.07040	13.6
70.06562	7.5
71.01318	5.0
71.04974	10.4
71.70143	5.9
73.02901	33.9
79.05482	55.5
81.02940	5.5
81.03403	94.0
81.07040	100.0
83.04954	14.1
83.08588	16.9
84.08113	7.4
85.02891	74.3
85.06529	7.9
87.04456	5.5
91.03940	48.5
91.05461	45.3
93.07029	65.0
95.01320	9.4
95.04955	32.2
95.08586	55.4
95.09134	6.2
97.02872	58.0
97.06512	7.0
97.10149	7.9
99.04433	13.7
99.08070	4.8
101.02351	12.3
103.03906	4.2
103.05428	6.0
105.07018	36.0
107.04934	56.9
107.08586	28.2
109.02869	21.6
109.06496	13.8
109.10130	12.9
109.71599	3.3
111.04429	4.9
111.08062	9.7
115.03915	7.8
115.05466	4.0
117.07013	27.4
119.04919	7.7
119.08526	16.6
121.06470	17.2
121.10133	15.1
123.04407	9.0
123.08051	29.9
125.09606	4.8
127.03900	27.6
128.62366	3.2
129.06967	12.9
131.04915	6.3
131.08553	32.2
133.06493	8.2
133.10124	20.9
135.08006	10.4
135.11673	33.8
137.05977	8.6
137.09579	4.3
141.06993	10.5
143.08572	10.8
145.04935	7.3
145.06425	24.0
145.10121	11.1
147.08011	3.3
147.11659	7.5
149.09608	6.6
149.13252	17.3
151.07524	4.9
153.05492	3.2
157.10155	8.7
159.08049	11.1
159.11652	32.9
163.11096	4.8
165.09087	37.5
167.07037	12.5
169.10109	14.5
171.11673	4.2
175.07520	4.0
175.11230	4.0
177.12657	32.2
181.04935	5.1
183.06493	11.6
187.11154	43.7
193.12323	9.0
195.13803	23.6
199.11253	3.5
201.07445	4.3
205.12140	16.4
213.12735	4.0
217.08562	4.2
223.13324	14.8
233.15273	5.2
241.14323	94.2
245.08083	25.8
273.14838	5.5
279.15869	89.4
280.15829	3.7
297.16910	80.4
307.09668	5.0
321.17004	9.1
325.16455	5.5
339.18225	3.4
339.22891	3.6
349.21301	4.4
367.22559	12.0
385.23804	18.7
399.13950	4.2
403.24698	5.2
405.18719	4.2
423.20139	7.2
441.20889	8.4
459.16296	8.7
459.21756	8.0
459.27359	39.2
481.48398	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59118	1.0
54.36567	1.0
55.05502	9.3
57.03421	1.7
57.07061	2.7
59.04979	2.3
61.02901	1.6
65.12079	1.1
67.05492	15.1
69.03426	9.7
69.07059	11.0
70.06566	1.9
70.36695	5.0
71.04984	3.6
71.08641	1.2
72.08153	2.4
79.05482	3.6
81.03412	4.0
81.07047	18.9
83.04964	7.1
83.08596	5.3
85.02900	9.0
85.06533	3.3
86.09698	1.1
87.00806	4.2
91.05466	3.6
93.07033	9.6
93.24541	1.1
95.04959	1.5
95.08588	31.2
97.02894	3.9
97.10161	2.6
99.04462	1.4
99.08065	3.5
100.93065	1.0
105.01851	2.5
105.07029	6.1
107.08578	22.3
109.02875	3.7
109.06501	9.5
109.10141	96.8
110.10486	2.4
110.64195	0.9
111.08095	2.6
113.09634	1.5
117.06941	1.4
119.08564	38.8
119.09416	2.1
121.10123	9.9
123.08047	10.5
123.11684	9.0
125.09579	1.0
127.03915	5.2
133.10110	22.0
135.11670	100.0
136.11998	1.5
137.05960	1.0
137.09595	12.9
139.11163	1.6
145.04909	1.7
147.11684	1.9
149.13225	5.4
151.07524	1.2
151.11147	8.1
151.14787	10.2
153.12711	2.3
156.13849	4.2
157.14102	1.0
165.09102	2.9
165.16399	3.8
175.14796	44.5
176.15186	1.3
193.15855	64.7
194.16180	1.1
211.16901	53.8
217.52504	1.1
225.50894	0.9
365.83020	1.0
389.39108	1.0
458.39432	1.7
459.39856	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	2.0
57.02132	1.0
57.03410	3.3
69.62270	8.9
70.02942	6.6
70.06573	5.6
72.08125	2.7
76.03992	2.6
81.03376	2.2
84.04486	6.6
84.08099	1.2
86.00629	2.4
86.06053	16.7
86.09676	4.0
88.03987	1.7
98.20673	1.1
99.05569	3.2
101.62860	1.2
105.05727	1.2
107.06046	1.2
108.04459	2.2
109.07631	2.5
110.06016	1.5
113.73832	1.0
116.01652	2.8
124.02209	1.7
125.07146	1.5
130.04968	2.4
136.07573	1.9
138.03654	1.8
140.05280	1.3
142.03186	6.7
142.08604	3.4
145.06062	11.8
151.08621	1.2
152.07036	23.0
155.08136	2.4
166.03215	3.6
168.04756	8.7
169.09735	2.2
170.06276	1.2
174.32350	1.0
184.04327	6.0
186.05800	20.7
186.07332	1.8
199.05403	3.8
199.07082	1.7
209.07416	2.4
211.09004	3.1
219.02995	1.4
223.05344	1.7
227.08437	1.4
231.05814	1.1
245.05844	6.4
249.06862	1.4
250.05333	1.2
269.05847	3.7
295.07428	4.0
312.09949	6.8
322.76428	1.2
330.11127	3.9
366.11282	1.2
398.10156	1.8
441.14246	6.7
459.15363	100.0
460.15677	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	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.8
55.01849	4.5
55.05490	9.3
67.05493	19.4
69.03407	7.5
69.07049	11.7
69.71463	22.6
79.05490	2.8
81.03369	5.6
81.07049	16.9
83.04977	6.7
83.08604	4.5
85.02902	6.8
91.05498	3.4
93.07042	10.2
93.13225	2.6
95.08590	33.0
97.02853	3.9
99.08076	5.4
105.07027	6.7
107.04940	2.6
107.08595	17.8
109.06503	7.6
109.10142	90.4
111.08069	3.2
113.50622	3.0
119.08572	32.0
121.10140	12.2
123.08055	11.4
123.11661	8.7
127.03902	5.5
133.10097	18.2
135.10625	4.4
135.11671	83.3
137.09599	13.1
137.22447	3.0
145.04997	3.4
149.13235	5.1
151.11197	9.1
151.14799	12.6
162.13580	2.6
165.16412	3.6
175.14801	40.1
193.15852	52.6
194.16206	3.2
198.09070	2.7
211.16902	100.0
241.32750	3.0
440.08197	2.9
441.84656	2.8
459.39807	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	458.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01866	5.5
55.05505	23.4
59.84363	3.2
67.05488	33.1
69.07043	9.7
69.49946	9.5
69.50364	22.6
70.37979	3.3
71.04953	4.4
79.05475	29.6
81.03391	4.1
81.07037	33.4
83.04964	6.4
83.08602	21.3
84.94875	3.1
89.02370	5.3
91.05476	29.0
93.07034	33.2
94.07326	3.7
95.04942	31.7
95.08586	22.3
97.06508	7.2
98.21394	6.0
105.06994	29.8
107.04945	9.7
107.08595	17.9
109.06477	8.1
109.10151	10.8
111.08043	6.9
117.07008	9.4
119.08544	24.6
121.06501	3.9
121.10130	14.8
123.08071	7.3
125.09612	3.5
125.86896	3.0
129.06992	7.4
131.08525	15.5
133.10088	21.5
135.08012	6.2
135.11644	10.1
137.09581	4.2
141.59026	3.2
145.10106	26.8
147.11728	15.2
149.09573	18.0
155.08548	4.8
157.10118	5.0
159.11684	14.8
161.13292	4.7
163.11136	20.3
174.90535	3.6
177.12749	5.7
195.11916	3.9
197.13159	4.3
201.16078	3.2
203.12708	6.3
205.12238	5.0
237.14735	17.3
239.17885	9.7
247.20476	4.9
257.18933	22.2
275.20016	100.0
289.21567	8.8
307.22662	39.7
445.00876	3.1
456.08054	3.4
458.29462	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	458.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.8
55.05499	10.3
67.05495	22.6
69.07066	10.2
71.04995	3.6
79.05475	24.4
81.03397	2.6
81.07040	71.9
82.45610	2.1
83.04974	2.8
83.08589	9.4
91.05459	24.8
93.07021	19.4
95.04964	7.7
95.08590	20.9
97.06487	2.7
97.10138	3.6
99.08056	3.5
99.22206	2.1
105.07008	24.0
107.04960	8.0
107.08572	13.0
109.06496	29.7
109.10123	8.0
111.08080	4.0
112.92585	2.5
117.06979	5.7
119.00428	2.0
119.08546	19.1
121.06493	4.1
121.10132	9.9
123.08027	4.2
123.11662	5.0
129.06976	3.1
131.08540	11.5
133.10071	15.4
135.08029	3.3
135.11665	4.8
137.09578	4.0
145.10091	9.7
147.11641	15.8
149.09592	7.0
149.13271	6.7
151.11179	3.3
152.33368	2.2
157.10080	3.8
159.11690	5.6
163.11136	8.0
163.14777	4.6
165.12717	6.2
171.11621	2.8
173.13225	4.2
175.11130	6.5
177.12697	4.0
177.14413	2.1
177.16287	2.9
183.11615	3.4
193.12180	5.0
229.19527	2.5
229.53891	2.9
239.18016	3.0
247.20441	4.1
257.18924	9.0
266.13925	2.5
275.20016	100.0
293.21115	13.5
307.22577	35.8
363.21817	2.7
391.21011	2.5
409.22137	4.3
426.23489	3.5
458.25146	8.4
483.74579	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
53.25642	2.4
55.01863	4.4
55.05492	8.0
57.03422	4.5
57.07026	2.9
63.77264	2.1
67.05484	11.2
67.84080	2.3
69.03422	16.3
69.07052	9.5
70.06579	6.8
71.01717	7.4
71.02090	2.7
71.04978	8.1
72.08141	7.7
79.05471	12.2
81.03407	6.1
81.07037	18.4
83.04978	16.7
83.08620	4.2
84.04488	2.9
84.08111	3.6
85.02894	17.3
86.09694	39.2
87.00829	5.4
91.05461	10.0
93.07038	11.9
95.04937	6.1
95.08600	22.8
97.02877	7.5
97.06535	4.2
99.08089	8.4
105.07022	9.7
107.08575	38.9
109.02891	6.0
109.06512	32.2
109.10138	30.0
111.08089	3.8
119.08572	5.7
121.06501	4.2
121.10136	34.4
122.07293	2.9
123.08038	9.7
123.11713	5.4
125.09612	15.4
127.03897	7.4
131.08517	8.3
133.10120	17.5
135.08047	25.1
135.11661	9.0
137.09552	11.6
139.11102	5.7
143.08626	2.6
145.10072	4.9
147.11697	10.9
149.09595	13.5
149.13261	19.8
151.11165	91.0
153.09073	4.9
156.13802	5.0
158.10944	3.2
159.02861	3.0
163.14803	13.1
165.09067	11.0
165.12776	9.0
173.13237	21.0
185.16446	7.5
191.14282	100.0
192.14543	3.0
208.16876	3.2
209.15350	83.8
213.15938	11.2
245.18633	7.2
326.24719	3.0
438.36536	5.0
439.37155	9.0
456.17230	3.3
456.37930	3.5
457.24481	29.6
457.37955	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	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96888	0.5
64.04579	0.5
66.10813	0.5
69.94006	2.3
69.94426	0.8
80.80930	0.5
94.93022	0.7
107.81113	0.5
112.89594	64.3
131.01895	1.0
143.01926	0.6
152.52505	0.5
173.02983	0.7
203.03986	0.5
229.71484	0.5
250.89514	1.5
352.95990	1.4
364.95972	0.7
365.96039	0.6
455.11578	100.0
456.11966	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20621	1.4
55.05506	2.2
57.07044	1.6
67.05479	4.6
69.03417	7.9
69.07069	3.4
70.06582	2.9
70.94876	5.2
71.04984	1.6
72.08131	2.1
75.81384	1.3
79.05484	5.5
81.03397	5.3
81.07049	10.2
83.04978	3.0
84.08152	2.4
85.02892	7.8
85.06528	1.4
86.09714	2.6
87.00820	3.3
91.05464	7.0
93.07012	3.7
95.04970	3.0
95.08593	5.8
97.02853	3.0
105.01814	3.2
105.07011	7.6
106.55154	1.4
107.04952	3.7
107.08587	22.1
109.02880	4.4
109.06509	6.4
109.10137	6.9
117.06984	2.6
119.08562	6.4
121.06458	2.1
121.10138	14.2
122.07268	5.3
123.08043	4.6
127.03904	6.9
133.10112	100.0
135.08038	6.1
135.11674	2.3
137.09595	57.4
147.11679	2.0
149.09616	3.5
149.13258	9.7
151.11182	11.6
156.13815	2.9
163.14807	3.2
165.12668	9.3
173.13269	6.7
185.09813	1.5
191.12566	3.3
191.14284	50.4
193.15778	1.7
200.16327	1.7
209.15355	28.7
230.44106	2.0
283.02560	1.6
285.03830	1.8
429.60974	1.5
439.37125	4.1
456.37720	4.4
457.16733	2.2
457.23901	4.0
457.37848	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	455.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19132	1.6
55.01864	2.1
57.32415	1.6
61.02916	4.1
68.99763	1.7
70.06570	7.6
71.70505	2.7
73.02921	1.6
83.01336	2.3
83.85336	1.8
85.02875	6.2
86.09689	4.1
87.51065	1.8
97.02861	3.6
103.03909	3.7
107.01266	1.9
121.02859	2.5
127.75881	1.8
135.04340	1.8
143.05946	1.8
153.01831	2.8
154.85515	1.6
155.04857	2.5
161.27800	1.7
163.03891	2.3
165.01857	2.2
171.04323	2.0
175.03896	2.1
183.02792	1.8
187.03833	3.4
203.03372	4.9
204.04036	2.0
211.03830	2.6
214.06226	2.2
215.03378	3.7
216.04198	2.5
217.04898	4.6
219.02898	8.8
225.05276	2.0
227.03284	4.3
228.04124	2.9
229.04935	4.1
231.02841	9.2
233.04404	5.4
239.03310	2.3
241.04901	5.4
242.05856	3.0
243.02916	3.1
244.03645	14.5
245.04453	21.4
246.05084	5.3
247.02420	15.2
255.02913	2.8
256.03726	6.9
257.04370	17.8
259.02292	6.0
260.03152	20.6
261.03928	8.3
263.01727	2.0
268.03714	1.9
268.78720	1.7
269.04355	7.5
270.05124	6.7
271.02280	3.8
271.05826	4.7
271.08652	1.7
272.03113	66.6
273.03885	100.0
274.04572	19.5
275.01828	8.3
275.04959	2.4
276.02588	4.1
277.03400	5.5
282.05341	1.9
283.05869	2.9
284.03250	10.8
285.03894	20.3
286.04626	2.6
287.01785	13.5
287.05417	6.5
288.02487	4.0
289.03326	23.4
293.02826	18.5
297.03818	8.6
298.04700	19.1
299.01968	3.9
299.05466	9.0
300.02557	2.2
301.03510	8.6
302.04150	70.4
303.04929	26.2
305.02933	12.0
309.03922	1.8
310.04477	2.3
310.58582	2.0
311.05334	2.6
313.03357	10.5
315.04858	3.6
317.02737	7.0
322.04675	3.2
325.03500	3.4
326.04150	35.9
327.04901	16.4
331.04251	3.1
335.03973	24.3
338.04065	15.0
339.04858	4.8
340.05725	3.0
341.02844	5.1
343.04276	4.6
345.05911	2.1
350.04190	9.8
355.04391	4.0
356.05246	22.6
357.06094	4.7
359.03723	9.8
367.04288	3.4
368.05228	16.3
371.03885	4.4
383.03775	3.2
385.05423	5.4
386.06235	16.6
387.06769	2.2
389.04880	7.6
401.04935	5.7
403.06647	8.7
404.07285	24.4
405.08157	2.0
419.05838	7.6
422.08585	11.2
437.07016	5.2
455.07932	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	454.292
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
54.32984	1.4
55.05485	2.4
55.35910	1.2
57.03423	5.2
57.07065	21.8
62.06078	21.2
67.05488	6.9
69.07041	5.7
71.08248	1.7
71.08620	16.5
80.91795	1.3
81.07040	7.1
83.08595	5.3
84.98342	1.5
85.10159	9.9
93.06998	1.5
95.08589	10.4
97.10168	1.5
98.98425	4.6
109.10104	2.9
123.11673	1.5
124.86368	1.4
155.01015	5.1
198.05255	1.8
216.06273	2.5
239.23676	2.4
239.30609	1.3
282.27859	58.6
283.28171	2.4
313.27304	100.0
314.27661	2.1
393.23856	5.6
454.33475	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	454.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93082	2.9
55.05495	4.2
56.05033	4.3
62.59909	2.6
67.05479	5.6
69.03400	3.0
69.07071	3.2
70.06581	40.6
71.04950	3.2
71.06936	3.2
71.69640	3.7
72.08144	5.1
74.06061	3.9
76.02210	2.8
79.05473	8.9
80.31467	2.3
81.07040	10.1
83.04950	3.3
84.04475	8.0
84.08126	11.1
85.02893	6.8
85.06536	2.5
86.09680	10.5
91.05460	6.7
93.07027	9.6
95.04934	3.4
95.08578	7.4
99.08084	3.7
105.07019	12.9
107.08573	22.9
109.06551	2.6
109.10145	7.6
110.07162	3.0
111.08072	3.9
111.90563	2.2
112.07555	2.4
117.06956	3.4
119.08556	9.3
120.08044	4.2
121.02850	3.6
121.10105	9.6
122.02706	4.3
127.03793	3.1
129.10194	6.0
131.04971	2.8
131.08566	12.3
131.66208	2.4
132.01160	2.7
133.10103	6.9
135.11716	3.5
143.08533	4.9
145.10115	17.2
147.11662	14.5
149.13158	3.4
154.64522	2.7
156.13785	4.4
157.10114	10.1
159.11674	14.2
161.09572	2.6
161.13235	10.1
169.10075	4.0
171.11653	7.3
173.13223	5.6
175.14857	3.2
183.11717	5.6
185.13257	11.2
187.14758	3.9
189.12733	8.4
195.11513	3.6
197.13249	4.6
199.14763	4.6
201.12819	3.3
201.16499	2.9
203.14282	9.4
205.64133	2.6
207.13728	4.2
213.16339	7.1
215.14261	3.1
223.14792	7.6
227.18021	2.9
231.17432	2.7
239.17917	3.8
253.19495	6.7
279.21033	21.1
289.03232	7.4
297.22079	75.7
303.05026	4.4
315.23129	100.0
316.23535	3.7
333.24179	6.8
436.24768	3.0
437.08295	10.2
455.09488	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	453.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
57.03439	1.4
58.04177	0.9
70.06570	1.9
71.69091	1.6
85.02888	3.8
89.34663	0.8
93.64761	0.9
103.03955	1.1
104.67239	0.9
109.02842	1.7
120.08086	1.7
121.02808	0.9
132.68633	0.9
173.19592	0.9
183.02899	0.9
187.03873	1.6
192.40190	0.8
204.04155	9.7
214.25151	0.9
228.04161	1.4
229.52776	0.9
232.03581	7.7
233.04323	1.0
235.02376	1.3
244.03741	2.5
254.05815	1.5
258.05258	1.3
260.03226	2.8
261.04025	1.6
268.03564	1.0
272.03094	2.9
274.04599	1.1
276.02643	4.6
276.05408	0.9
282.05234	1.2
285.03912	7.3
286.04642	5.0
287.05368	2.6
288.02603	29.2
289.03351	25.0
290.04153	58.7
291.04858	5.9
297.04068	1.0
300.02591	11.6
300.05923	1.7
301.03430	2.6
301.07040	2.5
302.04205	1.5
303.04938	100.0
304.05307	3.1
306.92429	1.1
310.04669	3.3
311.05331	1.5
313.03326	13.2
314.04156	21.0
315.04886	9.0
316.05447	1.0
317.06522	1.5
318.03671	2.4
325.03540	4.9
325.06931	1.5
326.04260	6.0
327.04868	6.2
328.05740	8.9
329.02826	2.3
329.06384	10.5
331.04584	1.1
333.05981	56.3
334.06424	1.3
338.04190	4.0
341.02875	2.4
342.03662	7.3
343.04382	1.2
343.08093	5.0
353.06815	2.0
354.03650	4.5
355.04214	2.0
356.05322	1.1
356.28180	1.0
357.06006	45.7
358.06387	2.4
366.03647	7.4
367.04453	3.2
369.06018	16.4
371.07480	2.9
381.06042	8.8
382.06821	1.0
384.04791	3.2
387.07016	13.6
399.07086	21.0
417.08087	27.6
418.08258	1.4
435.09073	13.1
453.10287	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	453.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78319	6.5
56.96555	70.7
58.51164	5.8
58.99860	6.8
62.05252	7.6
69.78971	47.8
70.06566	9.7
70.98115	12.5
77.00867	8.6
84.08170	9.9
85.02915	8.3
88.99146	15.5
97.02877	8.9
98.20726	6.8
98.97575	19.5
101.00874	11.7
103.02437	6.7
110.07140	8.5
110.97626	6.9
113.00809	8.0
115.02440	12.0
116.98611	21.0
117.03986	24.1
119.01912	78.4
119.05010	6.7
120.08115	9.1
121.01598	11.1
128.98650	12.8
130.02954	6.2
131.01884	24.7
133.03409	49.2
134.99686	9.3
135.05032	28.2
137.02954	17.7
137.04732	7.5
137.19843	6.2
139.02646	8.5
143.01917	12.1
144.99840	17.8
145.03458	100.0
146.99661	41.5
147.01375	6.9
147.03194	13.7
147.05037	15.1
149.02974	16.0
149.04764	11.6
151.04501	10.2
152.05719	15.6
155.01878	21.8
157.03522	8.2
159.04991	42.0
161.01274	7.5
161.02943	34.5
163.04564	43.8
165.00717	58.4
167.05865	7.5
168.86534	6.4
169.03409	7.2
171.01291	10.8
171.05043	26.4
172.97514	9.9
173.02937	29.3
173.06616	7.3
175.04556	15.6
177.00734	10.8
183.01723	12.8
185.02835	14.7
185.06584	10.1
187.00909	13.3
187.04503	47.2
189.02533	38.0
189.03940	7.3
189.06097	22.0
190.98616	32.0
191.00266	14.0
191.02014	7.0
193.00275	7.8
195.01512	23.7
199.04463	8.0
201.06094	14.2
203.04045	10.3
205.00150	31.7
205.01935	14.3
207.03447	10.8
210.04613	14.3
211.04872	9.3
213.02457	57.9
213.06021	11.2
215.00409	17.7
216.01476	6.9
217.01962	16.0
217.03795	10.9
217.05623	12.5
218.98256	8.5
219.01637	10.6
219.05336	8.9
221.03166	9.1
221.05124	37.3
223.01260	33.4
231.03499	26.6
237.02750	12.8
239.00290	15.1
241.01923	14.0
245.03154	11.9
245.05249	12.2
247.00963	12.7
247.03174	8.0
251.00693	18.7
255.03503	7.3
256.00989	7.1
257.01328	13.1
261.08203	44.3
272.98889	7.5
273.04495	19.4
275.06192	8.0
277.02304	14.9
277.06058	11.3
279.09134	51.6
285.01016	8.6
295.10712	8.3
301.00256	19.4
302.11078	7.4
305.01874	10.2
305.05481	11.4
305.98499	7.6
333.02655	16.0
342.01193	8.5
343.01895	13.4
345.02466	10.2
354.92020	7.3
361.02469	89.0
362.03198	7.5
379.02679	7.4
391.03439	8.3
393.03665	13.6
393.12369	89.5
403.03668	8.6
408.03323	8.3
453.04767	53.1
462.60507	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	452.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05484	2.2
56.05049	1.0
58.99556	1.2
67.05481	4.4
69.07047	2.5
70.06568	3.8
70.42046	0.9
71.04978	3.0
71.69762	1.1
76.02215	2.3
79.05476	4.5
81.03413	1.5
81.07033	4.2
84.08119	2.6
85.02858	1.2
85.06519	3.9
86.00658	1.4
89.69106	1.0
91.05453	3.6
93.07037	6.2
95.04932	1.3
95.08640	5.0
97.06496	3.7
99.08039	1.5
105.07029	8.6
107.04926	1.8
107.08583	5.1
109.06500	2.6
109.10098	2.0
111.08089	1.1
113.05966	2.0
117.07000	2.7
119.08566	8.0
120.08046	2.0
121.06443	0.9
121.10112	2.8
122.02729	5.0
123.08052	12.2
129.06987	1.8
131.08591	5.3
132.01122	1.3
133.06569	1.2
133.10117	6.6
135.11690	1.9
137.05978	1.3
137.09578	1.6
143.08536	3.7
145.10107	11.4
147.11662	4.4
149.09570	1.6
151.11052	1.1
156.09360	2.0
156.13780	1.8
157.10124	7.0
159.11661	9.8
161.09615	1.9
161.13234	5.6
163.11102	2.1
167.07126	1.3
169.10085	2.8
170.10764	1.6
171.11711	6.9
172.13353	1.6
173.09612	1.1
173.13269	3.2
175.11214	2.3
175.14876	1.4
183.11642	2.9
185.13257	6.8
187.11166	1.2
189.12778	2.4
191.14259	2.7
195.11716	1.4
197.13264	2.6
199.14799	1.9
201.12735	1.5
201.16336	2.1
203.14310	10.1
209.13228	2.0
210.25227	1.1
211.14780	2.6
213.16351	1.6
219.13815	1.3
221.13026	1.6
225.16380	1.3
229.15889	2.8
237.16307	2.7
241.01888	1.0
243.17416	1.8
252.75264	1.1
253.19463	2.8
255.17430	2.7
269.19028	1.6
271.20474	2.8
277.19302	2.7
295.20547	32.9
296.21082	1.0
313.21573	100.0
314.22061	4.7
331.22653	6.5
338.18051	1.2
434.33801	4.6
452.19342	1.4
452.34955	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	451.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65820	0.9
55.01853	2.4
57.03426	1.7
61.02924	1.3
65.03916	2.6
68.99780	9.6
69.51123	9.6
78.83328	0.9
85.02895	5.9
95.04934	1.9
97.02885	1.9
103.03854	1.0
109.02850	2.0
111.04456	2.0
113.51292	1.1
119.04903	1.6
121.02844	100.0
123.04407	2.3
125.02312	1.0
135.04449	1.2
139.03896	3.9
145.82257	0.9
147.04424	1.1
149.02348	1.3
151.03815	4.7
153.01796	9.0
163.03886	25.9
165.01784	11.3
169.04944	1.5
177.01823	9.6
181.05003	1.8
183.02855	6.9
187.03781	1.1
191.03403	7.1
193.04980	4.8
195.02852	16.3
203.03447	1.3
205.04948	8.2
217.05005	2.9
219.02837	18.0
231.02902	3.1
235.05969	2.5
249.03893	5.6
253.07147	1.4
261.04001	6.9
279.04956	5.9
283.06000	9.5
295.05899	7.2
297.05939	13.1
313.06940	13.8
331.08060	2.0
335.11823	0.9
336.12112	1.0
337.06958	2.3
355.07971	3.8
367.08102	8.8
379.07944	2.7
397.09119	3.4
415.10104	4.5
433.11069	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	451.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23774	0.2
60.74372	0.3
70.72601	0.3
71.21659	0.6
81.05630	0.2
99.21265	0.2
101.83453	0.2
241.77084	0.3
245.00552	0.6
257.23492	0.2
301.03235	0.5
391.02881	1.3
433.03793	0.6
451.04807	100.0
452.05054	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	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.1
57.03407	1.5
57.84856	1.7
64.44051	1.5
65.05017	1.4
68.14689	1.5
70.06579	1.7
70.88830	2.9
70.89206	3.0
85.02918	1.7
98.97570	7.9
101.00913	1.8
116.43484	1.5
116.98600	5.5
119.01928	3.6
131.01880	2.2
133.03435	2.1
134.99644	2.8
143.01854	2.9
145.03485	2.6
147.04982	1.8
155.01854	1.9
158.99655	2.9
161.02931	9.5
161.08736	1.3
173.02890	2.2
173.06487	1.5
175.24774	1.4
177.00647	4.8
189.02280	1.6
201.37128	1.3
210.79530	1.4
215.07814	1.7
219.01744	2.5
221.05148	2.0
223.01271	1.4
231.03526	1.8
237.02815	2.9
293.10748	4.6
303.72931	1.4
309.08737	2.8
321.08597	1.6
391.02728	4.5
418.32959	1.5
451.04822	100.0
452.05090	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	451.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	22.1
61.43940	3.0
67.05492	6.5
70.06557	3.5
71.71024	5.0
79.05466	6.3
81.03421	5.2
81.07030	5.6
84.96013	10.9
91.05482	18.3
93.07039	5.2
95.08542	4.2
98.97568	55.5
105.07004	5.4
107.04946	3.1
107.08554	4.2
110.97546	15.3
111.76645	2.7
112.99064	3.4
116.98611	44.3
121.57406	2.8
128.98579	25.3
131.00142	8.5
134.99648	28.7
137.05948	12.2
140.69781	3.1
143.00089	6.2
146.99617	23.2
149.01274	5.4
153.00688	4.2
158.99611	6.1
161.01170	13.4
170.99634	9.2
173.01170	3.8
177.00694	18.5
179.07112	2.7
185.01176	3.5
189.00710	9.0
201.00719	8.5
203.02222	11.1
207.01617	4.4
213.00568	4.3
219.01717	42.3
223.08382	2.8
224.03505	13.8
237.02798	100.0
239.05917	6.5
242.04541	5.4
255.03799	5.9
260.04431	9.5
261.02850	9.5
279.03729	4.6
280.06140	3.4
281.06851	9.9
300.13773	3.0
302.04572	5.1
317.06738	5.9
347.07953	8.1
350.06616	3.9
365.08926	24.0
368.07907	3.5
383.10138	65.9
406.11896	6.3
407.10599	5.8
425.11050	8.2
451.09955	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	4.3
70.03320	6.8
98.21468	1.3
98.97575	4.0
116.98600	2.2
119.01889	1.5
128.98555	2.2
173.02934	1.5
189.00645	1.6
189.02452	2.5
190.98601	4.4
193.00165	1.9
193.86627	1.2
203.03986	1.3
205.00206	1.7
230.97948	1.5
248.99164	3.1
263.00586	1.5
267.00394	1.5
281.01801	3.1
305.10547	2.3
349.01038	1.8
391.02191	2.5
416.32022	1.3
451.04791	100.0
452.04941	3.8
473.13165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88905	0.7
60.44298	0.7
69.71204	2.8
69.71634	3.4
72.10323	1.0
98.20792	1.7
106.66722	0.7
152.00421	0.8
297.25317	0.9
317.05075	0.9
391.02673	1.5
451.04810	100.0
452.04999	4.4
459.63052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3253
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
55.01849	12.4
55.05500	35.1
57.03423	7.2
57.07048	12.2
59.92628	4.1
67.05495	57.7
69.03419	4.5
69.07039	31.8
70.06534	4.6
70.37238	4.2
70.37675	4.1
71.04972	7.3
71.71480	4.9
72.14654	4.4
79.05482	44.7
81.03401	9.9
81.07034	76.0
83.04951	16.2
83.08612	25.8
85.02877	6.6
85.06544	5.7
91.05465	34.5
93.07024	70.5
95.04939	14.4
95.08591	70.5
97.06514	14.0
97.10152	8.4
98.98444	5.9
99.04406	9.6
101.05981	7.4
105.07011	51.5
107.04886	8.4
107.08569	79.5
109.06457	11.8
109.10143	31.4
111.08051	8.1
113.09614	5.9
117.05418	4.0
117.06970	11.1
119.08550	73.3
121.06464	8.5
121.10123	78.5
123.08017	15.7
123.11668	8.7
125.09581	7.8
129.06950	11.9
131.08511	26.6
133.10103	50.1
135.08037	8.4
135.11655	52.7
137.09569	7.4
137.13210	5.8
142.07709	7.1
143.08540	12.4
145.10095	40.4
147.11656	58.1
149.09628	10.9
149.13251	17.4
153.09030	5.7
155.08444	7.6
156.09277	6.4
157.10101	37.2
159.11674	41.0
161.09653	8.3
161.13228	27.1
163.11107	21.6
163.14763	7.5
165.12692	14.5
166.75494	5.4
169.10081	7.6
170.10840	6.9
171.11641	28.9
172.12404	4.9
173.13248	47.8
175.11238	7.6
175.14798	21.6
177.12698	12.4
181.12193	37.4
183.11630	7.2
185.13240	24.3
187.14780	31.9
189.12671	12.2
189.16345	15.2
193.12222	8.4
193.34656	4.7
195.13780	18.1
197.13258	7.7
199.14758	33.7
201.16316	22.6
203.14259	12.3
205.12144	5.1
205.15863	13.4
207.13741	40.1
209.15091	6.0
211.14743	9.1
213.16310	33.3
215.17886	5.8
217.15813	17.1
219.17470	9.3
225.16354	7.4
231.17360	20.3
233.19107	5.2
247.16817	5.5
277.21606	17.4
329.06595	5.2
351.25104	16.2
357.24020	6.5
377.28265	12.4
385.30991	12.3
395.29391	100.0
413.30426	77.6
431.31445	19.4
449.28320	19.6
449.32742	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
55.01841	3.8
55.05242	1.5
55.05500	27.4
57.03432	11.1
57.07050	3.6
64.83640	1.3
65.03914	4.4
67.05492	100.0
69.03423	2.3
69.07053	25.8
69.41463	8.9
69.41891	4.9
71.01329	3.8
71.04980	6.3
73.02888	1.7
75.71835	1.3
79.05479	76.7
79.40108	1.1
81.03403	7.6
81.07040	81.0
82.07365	1.7
83.04585	1.3
83.04973	12.3
83.08613	13.4
85.02902	1.2
85.06526	7.6
90.80101	1.5
91.05463	36.7
93.07027	87.7
94.07349	1.5
95.04942	15.1
95.07996	1.7
95.08591	20.8
96.09792	1.1
97.06519	18.8
97.10145	9.3
98.21544	2.1
98.71069	1.2
99.04427	2.3
99.08067	3.0
103.15420	1.3
105.04593	1.5
105.07005	13.5
107.04970	3.4
107.08574	49.3
108.08857	1.3
109.06499	3.4
109.10137	7.9
111.08053	6.8
111.11743	1.4
113.00006	2.0
115.05461	1.6
117.07008	12.7
119.08553	8.5
121.06487	3.1
121.10125	23.9
122.10457	1.3
123.11670	3.0
125.09583	3.0
129.06990	3.0
131.08527	10.4
133.10085	9.5
135.11670	54.4
137.09583	2.5
145.10075	8.9
147.11632	1.7
149.13219	27.4
151.11113	2.3
159.11681	10.0
163.11136	8.9
177.12727	5.9
181.12149	10.9
182.10713	1.3
195.12030	1.8
195.13765	10.4
199.13254	1.4
213.14696	1.9
237.14714	1.8
269.17426	1.8
337.26483	1.9
352.00140	1.3
406.04507	1.3
431.27621	2.9
434.42706	1.4
449.28909	68.1
449.91409	1.4
450.29343	1.4
473.12994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63188	2.2
55.05498	16.3
57.03434	14.3
57.07054	6.5
67.05496	32.4
69.07062	17.2
70.12537	13.1
79.05480	7.9
81.07044	40.6
83.08627	11.1
85.06533	2.8
89.07166	2.2
91.05456	5.6
92.05157	2.4
93.07037	7.9
93.86263	2.1
95.04954	2.7
95.08588	31.2
97.10162	7.1
98.98454	4.7
100.61797	2.3
105.06997	5.6
107.08594	6.8
107.18291	2.4
109.10132	12.3
113.00000	91.9
119.08549	5.0
121.10091	4.7
122.92083	2.4
123.11700	3.8
133.10081	4.0
135.82062	2.6
136.99979	3.9
151.14804	2.5
155.01036	3.5
169.02591	25.5
187.03734	5.1
206.16830	2.3
213.33601	2.3
227.84895	2.7
245.22746	6.1
263.23682	6.2
277.30481	2.5
307.80658	2.6
313.27274	4.5
327.53091	2.3
337.27322	100.0
338.27695	3.8
434.98517	2.3
436.92966	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	449.1071
Annotation	isoscutellarein glycoside
Peak:m/z	Relative Intensity
64.26382	0.8
68.99783	1.6
85.02866	1.3
98.20663	1.7
99.45403	0.7
103.03930	1.2
121.02831	2.1
123.77731	0.9
135.04347	4.0
137.02312	7.3
141.01828	2.1
161.02341	1.8
163.03891	2.0
165.01817	14.9
167.03354	3.8
177.01779	1.5
179.03355	1.0
183.02841	4.7
187.03835	1.7
191.03398	1.5
195.02846	1.8
207.02710	0.9
243.02794	1.0
255.06454	1.1
261.03717	1.2
272.06833	1.2
283.05969	9.7
286.04602	3.2
287.05444	5.2
297.07660	6.7
299.05457	100.0
300.06122	10.7
301.06976	1.1
309.07367	1.1
311.05533	11.4
311.09033	2.0
313.06949	3.2
321.07550	1.5
323.05392	1.7
325.03506	1.3
325.06973	20.5
327.04861	1.4
329.06516	69.7
330.06946	3.4
337.07059	2.0
339.08627	17.0
349.06949	3.8
353.06497	34.9
354.06894	2.1
365.06454	10.3
367.08096	2.9
377.06616	8.5
383.02875	1.6
383.07556	20.0
384.07687	1.4
395.07578	20.1
396.08099	1.3
413.08643	19.9
414.08997	1.2
431.09677	11.2
449.10858	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	449.1073
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
54.99602	0.7
55.01870	1.2
57.03411	0.9
68.99776	1.3
70.94427	1.0
70.94757	1.7
77.46394	0.7
79.01852	5.2
81.03389	3.0
85.02893	2.5
109.02911	1.0
125.02323	0.8
135.04401	2.9
136.05183	1.1
137.01289	1.4
137.02322	19.2
137.03360	1.6
138.03125	1.0
139.03818	0.8
147.04437	1.1
153.01857	1.1
155.83704	0.8
161.02364	2.4
163.03894	1.9
165.01855	4.1
167.03401	1.4
179.03418	1.8
181.05009	0.9
183.02893	2.9
189.05415	1.0
191.03389	2.0
195.03018	0.9
203.03381	1.6
205.04948	1.1
215.03438	0.8
217.04863	4.4
227.07001	1.0
229.04959	4.5
243.02956	2.5
243.06523	2.3
259.05966	4.1
261.03946	3.2
271.05988	7.4
272.06769	11.1
275.05536	1.1
283.05936	1.7
286.04779	1.4
287.05338	3.7
295.05869	2.0
297.07645	1.1
299.05463	85.0
300.06204	43.3
301.06818	4.7
311.05478	17.1
311.08737	0.6
312.05792	1.2
313.07001	21.3
314.07404	1.3
323.05331	1.2
324.06235	3.3
325.06909	5.8
327.05170	3.7
329.06522	100.0
330.06927	4.9
335.38187	0.8
337.07169	1.2
339.05045	2.1
339.08582	21.3
340.08978	1.5
341.06537	6.2
343.08231	1.3
353.06522	25.4
354.06900	1.5
359.07489	6.8
365.06488	1.9
367.08090	6.0
371.07700	2.4
377.06464	1.9
383.07611	14.7
395.07523	9.0
413.08643	30.8
414.09048	1.8
431.09705	50.8
432.09955	2.4
449.10751	71.1
450.11057	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	449.1071
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
57.03421	0.4
57.29964	0.3
58.62865	0.3
60.13460	0.3
65.03949	0.3
69.03398	0.3
71.28702	0.4
71.29040	0.5
81.03387	0.5
85.02887	1.6
85.58250	0.3
86.09692	0.5
91.05415	0.4
97.02871	0.5
105.03393	2.3
109.02884	0.5
119.04906	2.1
119.35375	0.3
121.02838	1.1
123.00742	0.6
131.04843	0.3
157.06364	0.4
165.01802	1.6
168.05713	0.3
169.01288	2.9
170.31244	0.3
179.03328	0.6
211.07629	0.3
213.05345	0.3
223.03879	0.7
225.05252	0.4
237.05449	0.7
239.03250	0.3
241.04930	1.6
245.04472	1.2
251.03517	0.3
252.04088	1.1
253.04323	0.4
255.02672	0.5
255.06602	0.5
259.05991	0.3
265.04883	1.1
266.05597	1.4
267.02905	0.4
269.04367	1.1
271.06000	1.2
279.02832	1.2
283.02728	0.5
283.05960	7.8
286.04559	0.5
287.05447	100.0
288.05783	3.3
289.03241	0.5
293.04330	0.6
295.06039	0.3
297.03867	0.9
297.07498	1.3
299.05444	32.6
300.05978	1.9
303.04871	0.3
307.06073	0.6
311.05478	4.8
311.08755	0.4
313.07123	0.4
321.07611	0.6
323.05450	1.2
325.03384	1.1
325.06946	7.3
329.06491	19.6
330.06863	1.0
337.06873	0.8
339.08566	1.5
349.07007	1.2
353.06485	10.3
365.06464	5.1
377.06445	4.0
383.07599	1.9
395.07529	4.2
413.08575	2.9
431.09723	0.6
449.10699	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	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
57.03430	0.1
67.01869	0.5
68.99787	0.4
69.03413	0.1
69.71679	0.3
69.72108	0.4
70.06573	0.1
70.97500	0.1
71.04985	0.1
72.08146	0.1
81.03400	0.2
81.07042	0.2
85.02892	0.2
86.09670	0.2
89.03911	0.1
91.05470	0.2
93.07026	0.1
97.02856	0.1
107.04958	0.2
111.04424	0.1
111.08141	0.1
117.03387	0.2
120.08073	0.2
121.02853	0.6
127.03922	0.1
129.01822	0.1
133.09998	0.1
135.04405	1.9
137.02324	0.5
141.85196	0.1
142.79045	0.1
147.04356	0.2
151.31726	0.1
153.01808	5.4
154.02116	0.1
161.02322	0.7
165.01860	0.1
165.49913	0.1
171.02887	0.6
171.04225	0.1
178.42618	0.1
179.03406	0.3
185.05972	0.1
213.05466	0.2
217.04979	0.1
241.04921	0.7
245.04581	0.1
257.04596	0.1
259.06024	0.2
263.05698	0.2
269.04440	0.5
285.03885	0.2
287.05460	100.0
288.05798	3.4
288.09058	0.1
299.05469	0.7
303.04959	0.2
311.05386	0.2
325.07034	0.2
329.06458	0.7
339.08749	0.1
353.06357	0.2
377.06470	0.1
383.07401	0.1
395.07870	0.1
413.08490	0.1
431.10092	0.1
434.78729	0.1
449.10745	2.1
450.10724	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03925	0.4
55.01851	0.5
57.03417	0.6
59.04984	0.2
61.02912	1.2
65.03906	0.2
67.05476	0.2
68.99809	0.8
69.03423	2.0
70.06565	0.4
70.76138	0.6
71.04974	0.3
73.02898	0.4
79.05468	0.3
81.03411	1.1
81.07040	0.4
85.02890	6.6
86.03205	0.2
86.09699	0.2
87.04457	0.3
91.03946	0.5
91.05490	0.4
93.07022	0.2
95.08562	0.2
95.36369	0.2
97.02870	2.1
99.04446	0.4
105.03362	0.3
107.04916	0.6
108.73025	0.2
109.02858	0.8
111.00793	0.7
111.04469	0.2
117.07011	0.2
119.04935	1.1
121.02851	2.7
122.02690	0.2
123.00816	0.2
123.59083	0.2
127.03900	1.3
133.02826	0.4
133.06393	0.2
134.38844	0.1
137.02332	0.9
141.07011	0.2
145.04915	0.9
145.06532	0.2
147.04388	0.9
151.07530	0.2
153.01814	3.8
157.06487	0.4
160.05530	0.2
163.03885	0.2
165.01808	1.9
169.01292	0.8
171.04372	0.3
177.09120	0.3
183.02864	0.8
185.05991	0.5
189.05438	0.3
197.96790	0.2
213.05450	1.3
213.58536	0.2
231.06494	0.6
241.04935	0.9
258.05203	0.9
259.05969	0.3
269.04355	0.3
287.05457	100.0
288.05801	3.6
299.05505	1.2
329.06433	1.2
339.08755	0.2
353.06494	0.5
365.06326	0.2
395.07397	0.2
413.08807	0.2
449.11023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01847	0.4
57.03426	0.8
61.02904	1.4
65.03912	0.2
67.01825	0.2
68.99771	0.5
69.03416	3.4
69.35697	0.3
69.36111	1.2
71.04978	0.4
73.02886	0.5
77.91616	0.1
79.05451	0.2
81.03390	1.7
83.01319	0.2
85.02886	8.7
86.09666	0.1
87.04427	0.3
91.03928	0.6
97.02870	3.2
99.04434	0.6
105.03358	0.3
107.04913	0.4
109.02850	1.2
111.00780	0.7
111.04356	0.2
115.03904	0.2
121.02835	3.0
121.54344	0.1
127.03880	1.9
132.13275	0.1
133.02818	0.5
137.02286	0.8
141.06975	0.1
142.02310	0.1
145.04929	1.5
145.06190	0.2
145.06374	0.2
147.04381	0.8
147.57860	0.1
153.01785	4.3
157.06409	0.4
161.05914	0.2
163.03882	0.2
165.01791	1.8
171.04399	0.3
173.46848	0.1
183.02905	0.9
185.05952	0.5
189.05449	0.1
197.05899	0.3
203.03271	0.2
213.05374	1.3
214.83357	0.1
219.81610	0.1
229.04726	0.2
231.06429	0.8
241.04886	0.8
250.03099	0.1
258.05191	1.2
259.05963	0.4
269.04309	0.2
287.05429	100.0
288.05768	3.4
288.09021	0.2
299.05408	1.0
311.05368	0.3
314.49847	0.1
325.07144	0.1
329.06387	1.0
353.06241	0.2
383.08109	0.2
413.08084	0.2
431.09662	0.2
447.71643	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	448.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	2.0
56.38050	0.4
60.05610	1.6
68.99746	0.5
70.06547	1.3
70.97865	1.4
71.04956	0.5
79.05478	0.6
83.06067	1.4
84.04472	0.9
84.08125	0.5
85.02850	1.6
85.88493	0.4
86.09661	0.7
91.05439	0.9
95.01255	0.5
95.04987	0.4
95.06066	0.5
98.07146	0.6
103.03949	0.6
104.04991	0.5
105.03385	2.8
105.05710	0.7
106.06509	1.3
110.07078	0.5
111.05541	6.9
113.07077	1.4
120.04448	13.6
123.05479	0.7
124.07395	0.5
126.06622	9.8
130.06491	0.4
132.04431	22.4
132.08017	1.0
134.05995	9.6
137.02263	1.2
137.04710	2.1
137.05751	0.4
140.08176	0.8
141.05426	0.4
145.03920	0.9
146.02332	0.8
149.02240	0.6
151.04951	0.6
151.06131	8.5
153.05434	0.4
161.07130	0.7
165.05396	0.8
165.09061	0.5
168.08789	3.5
177.05281	0.5
185.07062	0.8
187.08614	0.5
202.09726	13.8
213.06465	0.5
214.09778	0.6
215.08205	1.0
216.11322	5.2
227.09187	0.5
230.09212	10.6
231.09633	0.6
231.12379	1.6
232.10724	4.4
234.01360	0.4
234.10538	0.4
242.09164	3.8
245.81850	0.4
257.10312	5.1
257.17871	0.5
259.11862	86.7
260.12195	2.8
277.13010	3.1
280.05927	0.6
284.11237	3.9
285.11548	0.5
287.05460	0.8
298.07114	1.6
299.05136	1.0
301.13989	8.9
302.12424	39.7
303.12607	1.1
316.05276	0.7
319.15186	2.4
319.99637	0.6
328.08237	1.1
329.00284	2.6
329.06491	1.1
360.16641	0.6
362.18152	1.6
383.07663	0.5
406.17175	14.8
412.10034	0.9
413.15640	0.8
430.11649	1.2
430.18326	1.5
431.16589	0.8
448.19318	100.0
449.19467	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
56.05017	3.4
57.03434	9.3
58.99573	1.8
65.03928	1.1
67.05490	1.1
69.07055	0.9
70.04201	3.6
70.06573	2.7
72.08143	1.2
79.05473	2.4
80.05013	6.2
81.03408	1.1
82.02935	1.2
82.06554	1.3
82.99548	2.8
83.06093	5.8
84.04489	42.3
84.08119	1.1
84.97474	3.0
85.01125	1.9
85.02903	2.5
86.00636	1.3
86.09674	2.3
91.05431	1.2
93.59874	0.9
94.06535	2.3
95.04917	2.0
96.04482	1.6
97.01111	5.7
98.20729	1.3
99.02637	1.4
99.05576	1.3
100.02174	1.0
102.05529	1.3
104.04961	2.9
105.05753	2.0
106.06547	2.3
107.06062	1.6
107.07312	3.0
108.04455	1.1
109.07621	5.2
110.06041	1.5
110.98981	1.9
111.02644	10.6
112.02155	2.2
116.01619	2.4
117.00061	3.2
120.08061	1.1
123.02615	6.8
124.02160	7.3
125.00514	1.5
126.03718	1.3
126.05516	1.7
127.02131	1.1
128.01646	1.9
129.03709	0.8
129.06552	4.5
130.04984	8.0
132.04419	1.1
133.05202	2.9
134.05974	1.6
136.03952	1.5
138.03708	32.3
138.05325	1.3
138.98456	2.4
139.02138	4.9
140.01563	1.2
140.05263	13.1
141.00009	6.1
141.03714	2.5
142.03185	3.6
145.06111	2.6
150.03723	4.1
150.05545	1.7
151.02139	1.4
153.06564	4.1
154.05040	0.9
155.08151	3.0
156.04759	3.6
157.03152	9.3
166.03201	93.3
167.01610	17.6
167.03072	1.5
167.03572	0.9
168.04768	21.4
173.02632	5.6
179.08171	1.2
180.04848	1.0
181.06061	2.3
182.06357	3.9
184.04257	10.4
194.02693	12.5
195.01041	1.8
195.07555	1.4
198.05800	11.2
199.04092	10.4
199.07156	3.1
208.04279	1.3
212.03786	6.4
216.06888	10.7
223.05307	21.9
223.07202	5.3
224.03516	0.9
241.06453	6.5
245.05861	3.9
250.05264	10.7
251.05040	1.0
252.06451	1.0
257.07645	1.4
269.05875	100.0
270.06317	1.6
271.02356	1.0
271.08426	1.1
278.04822	2.9
280.05978	1.2
282.07849	2.3
283.07535	15.8
287.06955	8.5
292.05975	1.4
298.07037	7.8
299.05328	1.7
301.08484	80.1
302.08679	1.4
310.07108	3.5
311.05307	1.2
327.10065	1.4
328.08105	8.9
338.10260	1.2
341.07974	7.4
352.08221	2.8
353.07782	2.1
373.10562	31.7
382.09229	3.4
394.09198	2.2
399.08401	1.5
412.10345	4.4
416.10965	3.6
430.11343	8.8
431.10971	2.1
447.35498	1.0
448.12546	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	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01859	3.8
55.05503	15.4
57.03429	12.1
57.07059	4.4
61.02912	3.3
65.03927	2.6
65.81962	2.2
67.05138	3.5
67.05494	63.7
69.03414	2.2
69.07062	17.0
69.49970	21.0
71.04970	4.3
71.08601	5.3
71.56892	2.0
75.04466	2.3
79.05476	46.4
81.03398	10.0
81.07040	64.3
83.04966	6.1
83.08607	11.5
85.02901	2.4
85.06508	2.5
85.10149	2.7
91.05452	33.1
93.07025	52.2
95.04989	12.1
95.08587	44.4
97.02855	3.3
97.06535	3.4
97.10149	5.2
101.94031	2.1
105.07030	18.6
107.04929	4.7
107.08575	31.2
109.06506	5.4
109.10129	22.9
112.99992	82.2
117.06987	10.9
117.74258	2.3
119.08548	17.0
121.06516	3.3
121.10110	23.6
123.08027	3.9
123.11680	6.4
126.79845	2.4
129.06976	5.4
131.04889	2.3
131.08557	21.6
133.06462	2.9
133.10091	11.5
135.11678	16.5
137.09505	2.3
137.13239	3.2
141.06993	2.0
143.08519	3.8
145.06509	3.3
145.10074	15.2
147.11661	8.2
149.02344	3.6
149.09587	2.8
149.13240	10.1
151.14732	2.5
151.85507	2.1
155.97256	2.2
157.10124	4.3
159.11685	9.9
159.94209	1.9
159.95743	2.0
161.13223	2.4
163.11194	3.0
163.14810	6.9
169.02603	36.2
169.10114	3.8
171.03218	2.3
173.13226	11.8
173.76848	2.1
183.11855	2.3
185.13202	2.1
187.03612	7.1
187.14807	3.8
191.14368	2.7
193.12178	5.5
201.16235	3.0
217.19463	2.7
233.22691	2.7
243.21048	19.9
247.08362	3.6
259.20557	2.3
261.22073	23.7
275.19995	2.4
317.24606	8.3
335.25748	100.0
336.26028	6.2
337.25595	2.8
340.55444	2.3
349.16806	12.0
355.22449	5.4
355.26523	3.9
367.17917	9.0
367.25119	2.6
390.19650	2.8
447.26816	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
53.19341	1.6
54.01249	1.9
55.01865	4.2
55.05507	14.4
57.03428	19.6
57.07060	3.1
67.05136	3.2
67.05495	54.2
67.58661	2.0
69.07059	16.2
71.69985	3.2
79.05070	3.2
79.05484	28.5
81.07042	51.1
83.08591	7.4
83.29813	2.2
91.05441	13.9
93.07030	37.4
95.04984	4.8
95.08590	41.6
97.06472	2.8
97.10140	5.8
98.87931	2.0
98.98437	7.5
105.07015	16.3
107.08578	23.4
109.10119	19.3
110.60584	1.8
111.08022	2.2
112.99996	100.0
117.06950	5.0
119.08555	10.6
121.10129	16.0
123.11662	6.4
131.08539	8.6
133.10115	7.9
135.07945	3.2
135.11656	11.8
136.99948	6.5
137.13240	3.5
145.10049	10.2
147.11667	7.7
147.24579	2.0
149.13234	6.9
155.00996	5.9
159.11700	5.6
161.13292	4.2
163.14763	4.3
168.22380	2.2
169.02602	22.5
173.13260	4.1
175.14664	5.1
187.03627	9.1
187.14713	2.8
211.03577	2.1
237.22162	2.6
243.15254	2.1
243.21031	9.3
261.22128	21.4
299.96024	2.2
311.25769	6.8
317.24606	9.6
335.25760	84.8
335.29755	4.4
336.26105	3.6
447.24866	11.0
447.30362	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	447.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.3
53.46676	3.1
53.97445	3.5
54.56290	4.0
55.01860	8.2
55.05504	29.9
57.03431	16.9
67.05492	29.9
69.03398	18.4
69.07053	12.1
70.03010	16.7
71.04984	4.4
73.02924	3.1
79.05492	28.9
81.03404	88.4
81.07037	33.0
83.04970	60.0
83.08610	22.6
85.02898	17.7
91.05449	29.6
91.05869	2.8
93.07024	18.5
95.04958	27.4
95.08613	11.1
97.02889	20.3
97.06525	8.6
97.10152	8.0
99.04411	5.8
105.07017	22.7
107.04970	7.3
107.08575	8.7
109.02854	5.4
109.06502	4.5
109.10150	4.1
111.04421	20.7
111.08070	12.8
117.06991	7.9
119.08537	17.1
121.06506	9.4
121.10151	7.7
125.09670	5.0
127.03908	8.0
129.05484	27.5
129.06979	7.8
131.08569	15.5
133.10120	11.8
137.05984	4.2
142.07683	4.4
145.06532	3.9
145.10138	9.7
147.08067	6.7
147.11714	20.4
149.02336	4.6
149.09598	9.4
157.10141	15.0
159.11610	4.7
163.11205	9.3
165.12776	4.6
171.11864	3.8
175.11191	17.9
181.12273	6.9
191.10629	6.6
193.12189	61.6
211.13258	61.7
213.67731	3.3
227.12770	16.1
267.15857	18.3
283.15631	6.6
285.16925	100.0
297.04297	5.7
337.21518	5.4
355.22516	10.0
373.23541	4.4
380.45868	4.0
429.21155	15.1
429.26254	7.5
447.21838	4.9
447.27005	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	447.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01868	9.8
55.05503	12.0
55.68517	1.9
56.05027	4.1
57.03430	22.7
58.99572	29.8
61.01134	10.8
65.03944	2.5
67.05488	11.3
69.03422	3.7
69.07050	12.1
70.06577	5.3
71.04963	6.9
71.70906	2.9
73.01129	6.3
73.02911	2.7
73.04752	1.9
74.00665	2.2
75.02686	5.4
76.02245	2.8
76.03986	7.5
79.05486	19.0
80.05030	2.6
80.56738	2.2
81.03407	3.4
81.07043	69.2
83.08611	2.9
84.04494	7.6
84.08143	3.0
85.01117	5.8
85.02896	4.3
86.00636	38.8
86.02401	3.5
86.09695	2.2
86.99034	21.7
87.02684	8.5
88.02190	13.9
88.03997	2.5
91.05411	4.2
91.05884	2.2
93.07032	7.9
94.04166	1.9
94.06596	2.6
95.04964	4.8
95.08595	5.9
96.04466	4.3
97.01109	2.2
97.02879	4.3
97.06515	6.2
97.50710	1.9
98.09701	3.5
99.02641	2.9
99.08070	21.0
100.03957	2.0
101.04209	6.9
101.04832	2.0
105.07016	5.9
107.04928	3.5
107.08574	3.2
108.54997	1.9
109.02819	3.2
109.10155	4.2
110.02366	1.8
111.08099	3.6
112.02179	2.5
112.03962	8.5
113.04220	10.0
114.00080	10.6
114.48058	1.8
115.05526	1.8
116.01661	100.0
117.05511	1.9
117.07058	2.9
119.08591	2.2
121.06496	2.4
121.10120	4.6
122.03698	2.5
122.09637	4.8
123.04388	2.2
124.03945	2.3
125.09640	2.4
127.03915	3.8
127.04951	2.7
127.05811	2.8
128.01675	3.5
129.02969	2.3
129.99557	10.0
130.04979	13.5
131.20262	1.9
133.10143	3.0
136.03903	4.2
137.05948	37.3
138.01865	2.3
138.05461	2.3
139.05804	3.1
140.01617	3.9
140.03426	4.6
141.02907	2.3
142.03098	2.0
142.04953	2.4
143.02707	4.8
144.01106	30.1
146.02490	2.0
149.02299	6.4
150.09140	2.8
151.07579	2.0
152.01627	2.0
152.03418	2.1
154.05017	2.8
156.01126	2.2
156.02896	3.2
156.08401	27.3
156.10172	6.5
157.06850	2.3
158.02663	2.4
158.04520	5.7
159.99135	2.0
162.02167	87.9
166.04962	3.1
167.07069	2.4
168.02965	4.3
171.02225	10.7
172.00626	3.8
174.02219	3.8
176.60847	2.0
178.08607	3.2
180.10384	2.3
184.00580	4.3
187.03493	2.7
188.05540	4.6
189.03252	3.6
195.05032	2.9
196.00703	3.3
196.09579	14.4
197.11035	1.9
199.01645	5.9
200.05565	2.5
201.03308	5.7
202.01683	3.6
203.04907	5.8
206.08202	2.4
208.09686	2.2
210.02307	2.2
214.03391	2.6
216.03246	3.3
216.06886	7.6
217.02792	7.1
224.09161	6.8
226.01625	4.8
229.02623	9.5
229.04721	2.4
231.04282	15.4
236.07500	2.5
243.04285	3.9
245.02322	8.3
246.03973	10.0
247.03827	14.9
249.05400	5.1
253.02562	3.5
258.17874	2.2
259.03790	13.4
259.11105	4.7
260.09479	5.7
264.06879	11.7
264.09518	1.9
266.08469	2.7
268.11853	2.5
271.03622	1.9
275.03308	23.6
277.04849	10.2
282.07959	8.1
286.11011	4.2
287.03232	4.4
289.04849	2.8
292.06351	3.5
294.07834	2.8
296.09460	2.1
297.04053	3.0
303.06570	3.6
308.09750	1.9
310.07367	44.4
310.10641	3.8
313.12128	3.9
314.10672	4.9
317.04169	4.4
318.45941	1.8
319.05826	5.0
322.07458	2.4
324.08908	26.0
326.10437	4.6
328.11859	2.5
328.43011	2.0
331.05853	5.8
337.12170	6.0
339.06387	2.6
339.09955	10.5
340.08502	6.8
344.11615	7.1
346.13141	6.4
349.06943	63.1
354.10098	4.0
357.10977	21.8
361.02856	3.0
373.14352	11.9
383.12534	3.0
385.10583	27.9
387.14526	3.2
397.10776	4.2
397.42575	1.8
401.13672	25.4
403.11478	2.5
411.11835	9.7
417.13159	2.3
419.14896	2.6
429.13251	21.1
447.14224	50.0
474.46121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.3
60.04512	2.3
61.67748	0.3
69.07056	3.5
69.60210	1.1
69.60631	1.7
70.02950	0.4
70.06586	0.7
72.08145	1.5
74.02425	1.9
75.69271	0.3
81.06996	0.3
84.04482	1.4
84.08104	0.7
86.09689	100.0
87.05573	6.6
87.10015	1.0
88.03980	1.0
91.05786	0.7
93.62161	0.3
97.06519	0.5
98.06039	0.4
98.20755	0.8
112.11250	0.4
116.01643	0.3
116.03441	0.6
122.06005	0.9
128.10703	1.4
129.10194	0.3
130.05005	0.5
133.06062	24.1
134.06377	0.4
137.08347	2.1
138.08725	1.4
139.09476	0.3
145.06065	0.6
155.11778	1.0
162.02214	0.4
167.05579	0.5
170.06322	7.2
171.06631	5.0
172.05922	1.1
172.13312	1.0
173.12828	16.4
174.13191	0.5
177.03398	0.5
178.08664	0.7
183.11249	4.3
196.07852	0.4
196.09644	0.4
197.08206	0.6
201.12318	9.9
202.12698	0.3
213.10654	0.4
224.07385	0.7
225.07697	0.8
226.17970	0.7
228.13440	0.4
229.11809	3.2
246.14467	17.9
247.14893	0.5
251.17480	0.4
253.04935	0.4
256.03543	0.5
257.04419	1.3
258.04987	0.4
273.03842	1.7
281.04489	0.7
284.05695	0.5
285.03793	0.4
296.05475	2.7
296.19641	10.3
297.06308	1.1
297.19946	0.6
298.07132	0.5
299.05490	0.4
308.05457	1.2
310.07047	0.4
314.06625	0.9
314.20706	1.1
317.13492	0.4
322.06888	0.5
326.06622	2.6
327.07407	0.4
333.17566	4.0
336.08618	0.5
338.06442	0.4
339.04999	0.4
343.16125	0.4
350.06512	1.6
360.02542	0.5
361.76279	0.3
366.05756	0.4
368.07629	0.7
374.06662	0.4
380.07446	1.0
390.74292	0.3
392.07651	0.7
410.08597	1.2
428.05151	0.4
428.09805	1.5
429.23187	0.4
446.07904	3.7
446.26099	1.9
446.35733	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	446.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
57.07063	0.9
67.05495	3.9
69.07065	2.1
69.39445	8.2
71.21557	0.7
81.07024	1.7
83.08606	0.9
93.07017	1.3
93.26709	0.8
95.08586	1.4
98.68159	0.8
103.26805	0.9
109.10126	4.8
119.08556	3.5
121.06492	9.7
122.07276	1.6
123.08093	1.0
136.08806	14.2
137.09601	12.8
138.14026	0.8
149.09560	2.2
151.07561	0.8
152.08247	1.0
163.00894	0.9
164.08307	33.4
165.09093	100.0
166.09442	7.4
176.94498	0.8
177.09116	2.1
178.09749	0.8
189.09001	1.2
190.09830	1.2
205.12254	8.8
206.12572	0.8
243.15746	0.8
321.03009	0.8
333.56531	0.8
387.15845	1.9
388.16235	1.0
389.17432	1.4
402.18274	1.1
403.19061	3.3
404.19714	1.2
416.15866	2.4
417.16959	2.4
418.21768	1.5
419.22528	4.6
428.36325	3.2
430.17389	1.3
431.18176	3.8
446.20557	29.5
446.37494	73.9
447.21490	13.8
447.37781	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	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01860	11.0
55.05488	1.3
57.03427	6.9
59.04970	0.9
60.04499	0.9
60.51436	0.7
61.02926	6.5
67.05487	1.5
68.99768	2.5
69.03419	33.4
70.06564	1.9
70.47867	1.6
70.48268	1.6
71.01343	1.0
71.04990	6.7
72.08163	0.8
73.02907	8.2
79.05468	2.5
81.03405	36.9
81.03881	2.0
81.07027	2.5
83.01303	1.4
83.04949	1.0
85.02893	100.0
86.03199	1.0
86.09682	2.0
87.00814	32.2
87.04467	0.9
91.03936	3.1
91.05463	3.5
93.07024	4.6
93.37753	0.9
95.04958	1.7
96.04443	0.9
97.02879	39.5
98.06039	1.4
98.20669	0.9
99.04440	17.0
103.03925	1.2
103.05450	6.5
105.01847	31.2
105.07011	2.8
107.04937	3.2
108.04466	8.2
109.02863	37.0
115.03922	1.4
115.05467	1.0
117.01823	4.6
117.05510	0.9
117.43721	0.9
119.04977	0.8
119.08498	1.0
121.06489	15.2
121.10126	3.0
123.11693	1.3
125.02357	2.3
126.05479	4.0
127.03896	79.8
128.04222	1.3
129.01808	5.9
131.04875	1.5
134.10486	1.0
135.08038	2.4
137.05943	7.7
140.04662	23.2
145.04935	40.4
146.05286	1.1
147.02911	4.1
149.04866	1.1
149.05969	16.6
153.05440	10.3
159.02863	27.6
159.04208	1.7
159.08060	1.2
163.07489	1.8
167.07008	2.3
173.05800	1.1
175.07541	1.2
177.04016	1.9
181.08569	82.9
182.08914	1.9
189.03896	2.9
205.08545	5.1
213.03955	3.5
230.06616	3.3
231.04955	14.7
247.09804	2.0
248.07672	4.3
283.52313	1.0
289.10605	2.2
299.14194	2.0
324.01208	0.9
360.02985	0.9
426.38602	0.9
428.18631	1.0
470.03516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81546	5.5
55.01865	13.2
55.05500	46.9
57.07066	51.5
62.44412	6.3
67.05476	22.7
69.07062	96.1
70.82992	11.7
70.83355	9.7
71.08619	39.5
78.40630	5.2
79.05476	19.8
81.07041	86.9
82.05296	5.1
83.08609	54.7
85.10180	15.6
91.05473	17.1
93.07032	38.0
95.08588	52.6
97.06535	12.5
97.10155	34.6
105.07027	9.6
107.08583	23.0
109.10152	23.2
111.08069	18.6
111.11704	14.9
119.08547	9.3
121.06488	18.1
121.10123	23.3
123.08034	12.0
123.11685	9.7
133.10100	8.8
134.62515	6.0
135.07997	7.9
135.11678	17.7
137.05939	13.6
139.07520	100.0
141.16237	5.5
145.10028	6.6
149.09537	9.3
149.13216	18.0
151.07478	11.5
161.75465	5.9
163.14828	20.7
165.05470	19.2
165.09058	38.3
171.11674	6.5
173.13258	6.2
175.11154	14.5
177.09039	7.0
177.16391	7.2
193.08611	14.6
203.10617	9.3
205.12253	7.2
210.59126	5.5
221.11632	5.5
233.22462	5.1
267.77380	5.1
289.28851	13.5
307.29965	23.9
369.56561	6.1
381.35101	6.7
427.35590	14.3
445.36652	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.6
57.07054	3.7
58.39901	1.4
67.05480	4.5
69.07057	16.0
74.07961	1.3
78.59837	1.7
79.05492	2.0
79.23105	1.4
81.07037	5.8
83.04955	1.8
83.08583	9.0
91.05426	2.6
93.07019	3.1
95.08571	7.0
97.10133	5.9
105.07027	2.5
107.08556	3.5
109.10156	7.9
119.08545	4.0
121.05292	1.6
121.10123	4.1
123.11681	2.3
131.08507	1.6
133.10143	2.1
135.08015	2.6
137.09627	8.0
145.10036	2.1
149.09621	9.0
159.11623	1.7
163.11148	11.5
165.09100	100.0
175.11177	3.8
177.09038	6.6
189.09090	2.9
191.10608	5.4
199.11105	3.2
203.10632	5.9
203.14333	2.7
205.12189	6.5
210.79182	1.6
219.13654	2.2
322.02383	1.6
387.15945	4.3
388.16577	2.4
401.17548	2.2
403.19092	2.1
415.15375	6.3
416.15466	3.8
417.20972	2.8
427.35571	5.6
429.16953	5.3
430.17508	11.4
431.18295	5.6
445.19986	63.5
445.36554	5.1
446.20609	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	445.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
54.15501	1.4
55.05503	9.0
57.03423	11.7
59.04998	1.2
61.02910	1.5
64.55353	1.2
67.05138	2.5
67.05492	41.0
69.03415	16.1
69.07038	4.9
70.36115	6.5
71.04980	100.0
73.02891	1.3
78.08659	1.0
79.05484	17.3
81.03404	28.7
81.07043	62.4
83.04986	11.4
83.08596	5.6
84.04503	1.5
84.15725	1.4
85.02894	8.9
85.06529	10.2
87.04419	1.7
91.05450	36.9
93.07031	16.3
95.04967	3.9
95.08580	7.7
97.02880	33.9
97.06521	7.4
99.04439	5.9
99.08106	1.8
103.03942	3.1
105.07008	19.0
107.04934	1.7
107.08574	15.7
109.02870	5.0
109.06482	5.1
109.10149	8.9
111.04429	4.7
111.08072	2.0
117.06991	3.8
118.87536	1.3
119.08546	2.6
121.10108	4.5
123.08017	1.7
123.11695	11.9
125.06012	1.3
125.09620	1.6
127.03922	9.2
127.07559	1.6
129.05458	3.2
131.08548	4.4
133.10107	29.0
134.41492	1.5
135.11673	3.9
137.05992	2.4
139.11066	1.3
140.04399	1.2
147.11676	2.9
149.13223	7.6
151.11163	17.6
159.11682	10.0
161.13341	1.8
167.05499	1.7
169.10864	1.2
169.12209	4.5
171.11572	1.4
173.04375	8.0
175.11151	1.7
177.12729	5.4
179.14299	1.5
183.06528	3.0
183.13745	8.0
187.13268	29.6
195.13760	6.0
201.07555	1.7
201.14827	17.5
207.13849	1.6
213.14807	2.0
239.16167	1.5
241.18042	1.9
243.15921	5.1
257.17441	61.1
258.17792	2.8
269.17572	6.1
283.18954	2.5
297.16876	1.8
301.20013	11.3
339.18051	3.2
359.02725	2.0
374.81125	1.4
395.20694	2.8
408.39084	1.3
409.51904	1.4
413.21686	9.0
430.48657	1.4
445.24283	51.3
446.24530	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	445.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73095	1.2
53.03924	1.6
55.01852	2.6
55.05508	7.9
57.03194	1.0
57.03430	11.3
57.07063	1.9
57.98090	0.8
65.03928	1.6
65.16136	0.9
67.05497	26.1
67.31435	0.8
69.03407	2.2
69.07053	7.7
70.83798	0.7
71.04971	3.4
71.70638	1.7
73.02914	0.8
73.64434	0.9
75.04453	1.4
77.55412	0.8
79.05479	24.1
81.03387	3.3
81.07042	29.3
83.04971	2.2
83.08605	4.2
85.02883	1.5
85.06522	3.1
86.09642	1.0
91.05450	33.0
93.07030	35.2
95.04942	3.4
95.08589	19.6
97.02847	1.4
97.06527	2.4
97.10152	1.8
99.04437	1.0
99.08056	1.3
102.73023	0.8
103.03899	1.9
105.07008	30.8
107.04939	1.5
107.07904	1.5
107.08583	19.9
107.41574	1.0
109.06544	1.7
109.10149	7.5
111.08027	1.0
113.00002	81.0
115.05502	1.1
117.07006	9.8
119.08563	30.1
121.10137	13.3
123.08052	1.3
123.11682	2.3
128.06215	1.3
129.05501	4.6
129.07004	7.9
131.08553	17.2
133.09175	1.7
133.10115	23.0
135.08057	2.0
135.11674	14.3
141.06993	1.1
142.07729	1.5
143.08546	8.9
145.10091	13.0
147.11665	19.7
149.09550	1.6
149.13232	6.9
155.06967	2.1
155.08525	1.7
157.10124	6.9
159.11687	10.5
161.09599	1.7
161.13245	21.7
163.14798	5.4
167.05562	1.3
169.02617	7.9
169.10065	2.2
170.10834	0.9
171.11670	11.3
173.04420	1.0
173.13239	12.6
175.11174	1.8
175.14804	15.2
176.15280	1.3
183.11684	1.1
185.13252	8.2
186.90222	1.0
187.03664	10.4
187.14809	2.6
189.12720	1.8
197.13414	0.9
199.14821	5.8
201.16400	1.4
211.14684	1.4
213.16336	2.5
215.17981	6.2
217.15701	0.9
217.19470	6.3
227.12665	1.8
231.20992	3.8
241.19495	41.3
242.19794	1.2
243.21011	4.1
259.20547	32.4
275.19904	2.1
277.21555	3.4
301.77042	0.9
315.23102	3.2
333.24203	100.0
334.24506	3.7
353.24658	3.0
359.02747	1.9
365.35324	1.0
389.26605	1.1
427.22235	1.6
427.28510	1.0
432.52228	0.9
445.29608	10.0
460.26263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01858	3.1
55.05510	9.9
57.03208	1.1
57.03429	14.5
57.07060	2.7
67.05495	27.4
69.03394	1.5
69.07064	8.6
69.62856	11.7
71.04971	4.5
79.05479	26.0
81.03412	4.2
81.07044	29.6
83.04978	2.8
83.08595	4.0
85.06539	2.2
86.09682	1.7
87.80026	1.3
91.05444	31.5
93.07028	33.4
95.04934	4.4
95.08585	20.0
97.02890	2.1
97.06528	2.8
99.71429	1.5
101.98206	1.3
103.03934	2.3
105.07017	35.2
107.04935	1.3
107.07896	2.1
107.08578	20.9
109.06538	1.4
109.09486	1.1
109.10138	8.7
111.08080	1.5
111.75215	1.5
112.53458	1.1
112.99996	85.9
117.06991	12.6
119.08559	38.4
121.10131	17.5
123.08028	2.3
123.11685	2.8
129.05458	4.9
129.06973	7.7
131.08534	22.5
133.10092	27.4
135.11658	13.1
143.08545	9.8
145.10097	14.7
147.08060	2.0
147.11661	20.3
149.09634	1.5
149.13237	8.9
155.07022	3.2
155.08455	2.2
157.10118	9.0
159.11630	11.8
161.13228	24.7
163.11113	2.0
163.14786	5.9
167.05472	1.8
169.02571	7.0
169.10107	2.5
171.11705	10.2
173.11945	2.0
173.13217	9.7
175.11206	2.0
175.14810	16.1
183.11746	1.7
185.13210	10.5
186.14963	2.0
187.03633	14.2
187.14804	4.2
199.14839	5.7
203.14284	1.4
206.65970	1.4
213.16370	2.6
215.17917	5.7
217.19528	6.8
227.12520	1.5
231.21046	4.4
241.19469	42.9
243.21111	5.1
259.20538	38.3
275.20145	3.1
277.21463	2.6
315.23129	3.5
333.24182	100.0
334.24539	2.8
353.24765	3.1
371.25623	1.9
427.28427	2.3
445.29626	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	445.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.01850	2.8
55.05498	6.1
57.03432	5.4
57.07062	1.0
61.02617	1.0
61.02914	16.4
63.45523	0.7
64.18947	0.5
65.03920	0.9
67.05197	0.7
67.05497	11.0
69.03420	9.2
69.07053	3.3
69.57071	0.9
69.57478	5.1
70.06554	2.0
71.01328	0.8
71.04976	5.2
73.02911	7.8
73.04734	1.5
79.05025	1.0
79.05482	16.6
81.03399	9.8
81.06599	1.0
81.07038	12.4
83.04964	3.4
83.08619	4.6
84.08111	0.9
85.02890	14.3
86.09694	3.3
87.04412	1.5
91.03947	6.7
91.05434	5.6
91.05814	3.5
93.07027	23.2
95.04970	5.6
95.08005	1.3
95.08589	23.5
95.27116	0.6
97.02872	15.5
97.06496	2.2
99.04435	4.7
99.99277	0.6
101.02357	2.7
103.03908	2.2
105.07035	5.0
107.04925	6.8
107.08572	18.1
109.02880	5.2
109.06536	1.7
109.10143	1.7
111.04410	2.0
111.08080	1.3
111.34326	0.6
113.05994	0.8
115.03907	1.2
117.06993	5.7
119.08549	7.8
121.02823	1.2
121.06486	4.6
121.10131	8.2
123.04429	0.9
123.08015	0.6
124.07553	0.6
125.05926	1.7
127.03900	7.2
129.05435	0.9
129.10178	0.7
130.07779	1.2
131.08539	1.9
133.10098	3.2
135.08018	1.8
135.11670	29.0
136.11990	1.0
137.05954	1.4
139.07527	1.4
143.08513	1.3
145.04933	1.4
145.06413	1.0
145.10103	20.4
147.04362	1.0
149.13161	0.9
161.05948	0.9
163.11157	40.7
164.11595	0.7
167.05515	3.8
167.06821	1.2
169.10031	0.7
171.06540	0.7
173.09579	0.7
181.12213	9.3
183.06526	1.8
200.44141	0.7
201.07545	1.5
205.32021	0.6
209.11642	1.2
225.04265	0.7
227.12741	100.0
228.13031	2.0
251.08621	0.9
254.79990	0.6
255.06622	0.7
257.17514	1.2
261.14755	0.6
269.13824	0.6
273.44983	0.8
283.15359	21.4
285.03610	0.9
289.14435	1.1
307.15433	2.1
311.14722	1.4
325.16333	2.0
342.99637	1.1
353.15924	0.7
359.02805	3.6
385.18375	0.6
391.17340	1.2
409.18552	0.8
427.19656	5.4
445.20508	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	445.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.7
67.05472	0.5
70.32726	1.3
72.08141	0.8
73.04726	0.5
74.00655	0.6
76.02218	0.4
76.03980	1.2
80.05006	0.5
84.04005	0.4
84.04494	7.1
85.04000	1.5
86.09702	1.7
87.05558	0.3
91.05775	1.2
92.01685	0.9
93.05780	1.0
94.06563	1.9
94.72517	0.3
95.04950	0.5
98.20782	0.5
99.02677	1.8
99.05547	0.6
106.06571	0.8
108.08102	1.7
109.08865	0.8
110.06002	0.9
110.09662	1.1
111.02608	0.9
112.02204	0.6
113.03493	0.5
113.04240	0.6
118.06520	1.1
119.07279	1.4
120.08049	0.4
121.02785	0.6
122.06004	6.6
124.02145	1.1
125.02946	0.6
125.04213	0.5
126.03721	2.1
127.02119	0.7
127.04519	0.5
130.04974	3.3
131.04485	1.1
133.91241	0.4
136.07564	0.9
137.08331	36.6
138.09132	8.0
140.10680	1.2
142.03163	0.5
142.06837	1.4
145.06058	1.2
150.03668	0.3
152.05264	5.1
160.00552	0.4
167.05559	0.7
168.04739	0.7
170.06317	100.0
171.06641	1.6
172.07855	1.9
177.03293	5.5
180.04848	0.4
181.06158	0.6
185.03798	1.6
196.07895	8.8
206.06348	1.5
213.10526	2.5
223.08954	1.9
224.05176	0.7
224.07350	12.4
231.04333	5.3
241.10045	5.6
260.26511	0.4
279.11526	2.0
288.06464	1.0
296.05783	0.4
298.12137	0.4
316.13184	6.1
352.13089	0.6
359.02713	1.0
359.23328	0.4
370.14218	1.5
426.33301	0.5
427.06311	2.0
427.33887	0.4
445.07394	5.1
445.34329	0.4
446.07111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
55.05498	5.0
55.13489	0.8
56.05007	1.3
58.06584	3.6
59.52961	0.8
65.03949	0.8
67.05483	3.6
67.77404	0.8
69.07059	18.0
70.06577	9.0
71.04977	2.3
71.69743	1.3
72.08146	20.1
73.04742	3.2
73.06525	2.6
74.06056	0.9
79.05478	7.0
81.07034	5.9
82.06564	0.8
83.04971	1.0
84.04499	5.0
84.08140	7.4
85.02871	1.9
85.06532	2.1
86.09686	8.4
91.05818	7.4
93.07033	7.4
95.04951	1.1
95.08608	5.0
96.08112	1.7
97.02896	1.0
97.06504	6.3
97.94853	0.8
98.06033	8.4
98.09142	0.9
98.09663	5.4
100.07581	1.2
102.05502	1.6
105.07024	1.6
107.04947	3.2
107.08578	8.4
108.08114	1.3
110.06024	1.2
112.07582	1.6
112.11217	7.0
114.09184	1.2
115.07553	6.1
116.07088	0.9
119.08554	1.0
121.02848	3.0
121.10148	4.8
122.06017	1.4
123.08012	1.2
126.09130	15.0
128.07100	0.8
129.10226	2.9
129.13835	1.2
131.08580	1.6
133.06058	1.7
136.07565	6.7
137.02338	1.1
137.08362	4.8
138.09087	1.6
149.09569	4.9
152.10680	1.1
154.12253	26.2
155.11652	0.9
163.03896	1.0
167.05560	3.1
167.10698	1.4
168.13785	4.9
170.06316	10.6
172.13301	47.5
173.13614	2.2
178.12312	2.9
180.13783	1.7
185.16554	1.7
186.14865	4.9
192.49358	0.8
196.08020	0.8
196.13304	3.8
206.15410	3.3
213.16000	1.8
218.16573	0.9
224.07425	1.7
224.16425	64.4
225.04298	1.3
225.16672	1.7
229.15463	0.9
232.12985	1.2
233.11127	0.9
235.14407	2.2
238.17973	5.3
240.49274	0.9
243.20717	1.6
260.12668	1.0
260.23352	1.7
273.04010	2.0
281.03549	1.0
282.17728	0.9
295.23810	3.9
303.05194	1.0
306.13425	1.1
312.05167	1.0
312.26315	4.6
316.13354	0.9
329.21863	0.9
355.04416	1.8
359.02951	4.9
408.32291	6.8
409.30829	2.2
426.33206	100.0
427.06354	9.7
427.33359	5.0
444.34280	48.4
445.07388	27.8
445.34790	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	444.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
54.05203	2.3
55.01856	6.7
55.05500	16.7
57.03423	7.9
57.07060	3.0
58.06592	6.1
67.05499	34.9
69.03421	3.0
69.05090	2.7
69.07056	11.3
70.06595	5.1
71.04986	4.2
79.05486	37.6
81.03420	8.1
81.07049	76.8
83.04942	3.3
83.08608	10.6
85.06532	3.6
91.05418	30.5
91.36269	2.7
93.07032	30.6
95.04948	20.1
95.08582	30.4
97.06521	6.8
98.21436	7.7
105.07025	36.5
107.04959	17.4
107.08584	15.1
108.05325	2.6
109.06508	23.8
109.10149	10.7
111.08059	3.0
112.99998	37.6
117.07008	13.8
119.08597	30.0
121.06487	5.7
121.10115	14.5
123.08046	8.3
123.11714	2.9
129.06996	11.7
131.08525	16.8
133.10095	23.9
135.08003	6.2
135.11685	9.9
137.09634	6.2
141.06938	4.3
142.07787	2.4
143.08519	8.0
145.10078	17.6
147.11646	23.1
149.09607	10.1
149.13240	9.6
151.11072	2.6
155.08572	6.0
157.10109	9.4
159.11716	10.9
161.13220	9.8
163.11139	8.2
165.12714	7.3
169.02582	8.2
169.10097	3.9
171.08018	4.1
171.11685	7.8
173.13234	8.2
175.11195	4.8
175.14804	5.6
177.12692	4.7
181.10056	3.8
183.08060	3.2
185.09618	3.0
185.13261	6.7
186.10071	3.3
187.03670	5.9
189.12703	3.7
193.12260	2.7
211.11079	3.6
215.17999	3.2
241.19505	9.7
257.18994	7.2
259.20517	13.9
272.02902	2.8
275.20010	100.0
276.20428	3.5
279.65695	2.6
293.21152	38.4
333.24216	15.9
352.23587	8.5
363.21552	4.3
391.21030	2.9
397.78583	2.6
409.22113	12.6
444.28311	54.1
445.29214	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	444.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15311	1.0
55.05493	2.5
56.05008	1.1
57.03432	10.1
57.07048	3.8
58.15114	1.0
63.04470	2.9
67.05479	1.5
69.03407	4.0
69.07034	3.1
70.06218	1.1
70.06585	16.1
71.04983	74.6
71.06507	2.3
71.06859	1.7
72.08138	6.3
73.02894	2.5
75.04472	5.5
79.05478	1.3
81.03385	1.8
81.07037	1.4
83.04972	5.6
84.04487	2.5
84.08121	4.4
85.02892	100.0
86.09696	23.1
87.04432	3.1
87.10027	3.9
91.05768	4.7
93.07031	1.6
95.04964	1.4
97.02856	4.1
99.04469	2.0
105.06996	1.2
109.02864	1.6
111.04442	7.0
111.07980	1.1
115.08675	1.2
119.10674	15.6
121.02825	1.3
121.06573	1.0
127.03866	4.1
127.08675	1.3
128.10724	1.8
129.05460	41.8
129.10196	2.3
137.05956	2.4
141.10220	1.3
145.04892	2.0
147.06505	18.4
156.11229	1.3
156.13786	1.8
161.05846	1.2
164.09169	2.5
164.70428	1.1
167.05544	2.6
175.11900	2.0
176.33708	1.1
186.12315	2.6
201.12567	1.0
216.78539	1.1
255.08495	1.8
265.16299	1.7
309.11389	1.3
313.06601	1.3
316.84210	1.2
355.51788	1.0
359.02765	3.9
444.19208	1.6
444.29858	18.2
445.20337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01021	0.3
55.05499	0.6
56.05029	0.3
56.21061	0.3
57.05797	0.4
58.06580	0.5
60.04509	0.5
60.05367	0.5
60.05642	5.8
63.66895	0.3
67.05508	0.4
69.03416	0.4
69.07056	9.7
69.82829	2.2
70.06580	22.2
71.04968	0.9
72.08147	2.8
76.02203	0.4
79.05466	0.8
81.03393	0.5
83.04912	0.3
84.04469	0.9
84.08121	0.7
84.82790	0.3
85.02867	0.3
86.09693	100.0
87.10026	0.9
91.05460	1.0
95.01299	0.4
97.07592	0.3
105.06993	0.4
107.08587	0.4
112.08707	3.5
112.09425	0.3
113.07127	0.7
114.10300	0.4
115.08698	3.8
116.07069	8.2
120.08086	0.6
128.10699	15.4
128.11705	0.7
129.10161	0.4
130.09740	3.1
131.11769	0.4
133.06383	0.4
133.09705	0.6
137.05916	0.4
137.91011	0.3
151.03860	0.3
155.11711	0.5
156.10173	1.1
156.11316	7.8
156.13794	0.4
157.10873	0.8
158.09222	6.0
161.06032	0.4
175.11880	16.1
179.04832	0.4
183.14923	0.4
187.10803	0.7
215.10297	0.3
226.15457	0.7
228.17055	0.4
229.15529	0.6
269.18594	1.1
271.17584	7.8
288.20212	0.6
364.67084	0.3
396.07700	0.3
401.28220	0.4
425.17847	0.5
425.28629	0.8
443.29718	73.3
444.29935	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	443.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	12.5
55.01846	10.3
55.05503	25.5
57.03421	25.1
61.02653	3.6
61.02918	37.2
67.05490	68.3
69.03416	42.2
69.07064	16.4
70.06567	12.9
70.26434	10.2
71.04966	10.4
73.02909	21.4
77.03903	2.9
79.05483	100.0
81.03406	39.2
81.07046	63.3
83.04970	15.4
83.08605	13.9
85.02888	62.3
85.06522	5.8
85.69791	3.5
87.04441	5.1
91.03953	18.3
91.05461	82.0
93.07027	92.5
95.04958	37.8
95.08593	40.0
97.02874	41.8
97.06494	12.3
97.10141	3.4
98.84707	2.7
99.04420	10.3
101.02345	11.3
103.03919	7.9
103.05435	3.2
105.04434	4.4
105.07002	56.2
107.04943	15.2
107.08574	30.1
109.02862	11.4
109.06476	11.2
109.10120	10.9
114.68623	2.7
115.05413	4.7
117.06992	20.6
119.08564	41.6
121.06465	8.9
121.10133	12.9
123.04388	7.3
123.08035	11.5
125.09635	3.1
126.97891	3.1
127.03886	27.6
128.06146	6.3
129.05460	3.9
129.06987	34.8
131.04886	6.5
131.08556	16.8
133.06479	6.7
133.10115	18.5
135.07994	6.5
135.11644	4.4
137.05928	4.1
141.06889	5.1
143.08530	17.6
145.04912	5.9
145.06438	6.2
145.10107	21.4
147.08028	10.8
147.10564	5.1
147.11665	57.0
151.07494	7.8
155.08571	3.2
157.06451	3.9
157.10098	3.7
159.08008	6.1
159.11639	6.4
161.06049	2.9
161.09535	7.5
161.13202	20.5
163.07590	3.8
163.11055	4.4
165.05457	2.9
165.09084	5.1
167.07027	14.6
167.08250	3.3
169.10013	3.2
171.08171	4.0
171.11678	44.3
173.13136	3.0
175.07503	10.3
175.11215	3.3
179.14449	2.9
181.10152	3.1
183.06496	4.2
185.09607	3.7
185.13065	3.2
187.11125	2.9
188.10666	3.7
189.12711	21.7
191.10667	6.4
195.10056	4.0
201.07533	3.9
207.13782	49.4
221.15274	5.5
225.14725	4.7
225.80098	3.0
248.08360	3.2
259.16931	3.8
264.66476	2.7
269.15298	5.8
281.14536	5.5
281.17447	96.4
282.17929	3.0
287.16318	9.1
295.18921	6.1
305.17130	3.5
309.17014	7.6
339.12180	9.1
343.18896	3.1
351.11859	4.1
353.09995	3.2
361.20071	5.8
383.14719	10.5
425.21545	6.1
443.22897	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	443.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.9
67.05488	1.8
69.03386	1.2
69.07053	1.0
70.05373	2.8
70.06570	1.4
75.63023	0.6
77.60925	0.5
77.68916	0.5
79.05490	3.3
79.05854	0.7
81.07038	2.0
84.08129	0.8
91.05456	2.4
93.07031	1.8
95.04926	1.2
95.08588	1.8
105.03448	0.6
105.06990	1.8
107.04950	3.8
107.08581	0.9
109.10111	1.5
111.04404	0.7
115.05466	1.5
117.07007	0.9
119.08565	0.8
119.76614	0.6
123.11671	0.7
128.06177	1.1
129.06996	1.9
131.08534	3.1
135.08040	0.7
137.05945	1.7
141.06970	4.1
144.05682	1.1
145.10129	1.2
147.11739	0.8
149.09612	0.7
151.07520	1.5
153.05446	1.1
153.07030	1.0
155.08559	0.8
156.05739	0.8
157.06447	2.9
158.07266	2.4
159.08020	4.3
161.05966	0.9
165.06992	0.9
165.09096	8.7
167.07021	6.3
168.05664	0.7
169.06468	2.1
170.07248	2.7
171.07997	0.7
173.09518	0.7
175.07506	1.1
178.07845	1.1
179.07060	0.9
183.08052	0.8
185.05867	0.9
186.06773	4.8
187.07524	2.1
190.07806	1.4
191.06964	0.9
191.08542	1.7
191.10588	0.7
193.06432	1.0
194.07375	0.7
195.08270	0.8
200.08318	2.2
201.09082	5.1
202.06120	0.8
202.07762	3.2
203.08582	2.5
204.07716	0.8
204.09442	0.7
205.06390	2.1
205.08488	1.7
205.10284	1.0
205.12202	1.1
208.05174	1.1
211.07526	1.2
214.06323	1.1
215.08664	1.1
217.08542	1.8
218.07266	2.5
219.08090	8.5
219.10101	0.9
220.08820	4.7
222.06773	0.7
223.07457	1.0
223.11098	1.2
229.06384	0.9
229.08578	12.8
230.07210	1.9
231.08011	8.0
231.10205	2.3
232.08849	2.9
233.05922	1.9
233.09549	4.5
234.06706	2.4
234.10280	2.1
235.07396	1.5
235.11151	1.9
236.08246	0.6
237.09012	2.1
244.08875	1.1
245.09669	3.2
246.06654	2.1
247.07504	10.8
247.09694	5.4
248.08282	9.4
249.09038	2.9
250.06274	2.6
251.07002	1.2
251.10678	1.2
258.06857	1.6
259.07483	3.7
260.08240	1.4
261.05389	1.4
261.09030	4.6
262.06354	1.5
262.09854	4.3
263.06909	1.5
263.07440	1.2
263.10663	10.9
264.07770	2.4
265.08499	5.3
267.06378	1.1
269.08041	2.1
273.09128	1.8
274.06247	1.1
275.06992	7.1
276.07730	8.8
277.05270	1.3
277.08554	5.0
278.05685	1.5
278.09280	1.0
279.06631	1.9
279.10132	4.0
280.10751	1.4
282.08868	1.1
287.06961	0.8
289.08472	2.1
289.11014	1.4
290.09332	6.5
291.06821	0.7
291.10068	14.4
292.07214	4.9
292.10736	1.7
293.08093	11.0
294.08749	2.6
295.05945	1.0
303.06400	1.0
304.07239	2.7
305.08026	3.9
305.11581	2.3
306.05389	0.8
306.08774	2.2
307.06100	1.4
307.09564	8.1
308.10309	7.7
309.11002	1.9
310.08276	0.7
315.08582	6.8
318.08798	2.1
319.09549	10.6
320.06665	1.6
320.10522	1.9
321.07535	6.5
321.11139	2.5
322.08221	2.7
322.11972	1.7
323.09109	1.3
323.12653	11.0
325.10590	2.0
326.11395	1.3
330.10965	5.8
333.11282	1.0
335.09030	2.3
335.12671	0.8
336.09924	6.4
337.06897	0.6
337.10654	9.7
338.07739	2.1
339.12076	1.0
343.11621	1.0
350.11383	2.6
351.12195	20.3
352.12939	3.8
353.10141	11.3
354.10782	0.9
368.12521	11.8
369.12927	1.2
383.14828	100.0
384.15176	5.2
443.17236	2.7
443.27963	0.9
447.52802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01852	1.3
55.05488	1.7
55.50950	1.0
61.02917	1.2
67.05496	2.0
69.03400	1.4
70.06578	2.4
70.94727	1.0
70.95069	2.1
78.04678	1.0
79.05458	3.0
81.07040	2.7
84.08134	2.6
85.02887	2.3
86.09692	1.7
91.05481	5.8
92.27041	0.9
93.07018	1.7
95.04968	1.2
95.08607	2.0
102.46053	0.9
105.06997	2.1
107.04926	2.8
109.10210	1.1
115.05473	1.8
121.06492	1.0
123.04427	1.7
124.05197	1.5
128.06192	1.1
129.07013	2.7
131.04944	1.6
131.08528	2.3
133.06412	1.4
133.10091	1.2
137.05942	2.3
137.07005	1.5
141.06960	4.3
144.05721	2.1
149.09485	1.2
151.07524	2.2
157.06471	4.2
158.07248	2.2
159.08051	5.7
165.05571	1.1
165.06906	1.5
165.09053	1.4
167.07054	8.8
168.05652	1.0
169.06470	2.6
170.07233	2.5
171.04474	1.2
171.07887	1.2
175.07529	1.3
179.07053	1.2
185.06010	1.7
186.06747	7.0
186.50021	1.1
187.07497	3.2
189.07013	1.2
190.07678	1.8
191.08488	2.8
192.09377	1.5
194.07289	0.9
200.08235	2.4
201.09041	4.7
202.07814	3.6
203.08543	4.2
204.09415	1.2
205.06499	3.0
205.08310	1.4
206.07268	1.8
207.08093	1.6
208.05125	1.7
208.08926	1.3
209.05951	1.3
215.08649	1.4
217.08511	1.6
218.07283	3.3
219.08060	10.2
219.10068	1.4
220.08772	4.6
229.08533	12.5
230.07181	2.1
231.08096	8.0
231.10141	1.7
232.08789	3.5
233.06000	2.6
233.09613	6.6
234.06726	2.3
234.10342	1.5
235.07503	2.2
235.11174	2.1
236.08311	1.6
237.09090	1.8
244.08894	1.9
245.09726	4.9
246.06824	1.7
247.07515	12.2
247.09709	5.3
248.08279	13.0
249.05423	1.1
249.09009	3.9
250.06163	2.5
251.07014	1.2
253.08359	1.0
254.05753	1.1
258.06772	2.5
259.07510	4.1
260.08176	2.3
261.05560	1.8
261.09091	6.2
262.06451	1.9
262.09872	7.8
263.06891	1.7
263.07736	1.6
263.10641	11.1
264.07736	3.0
265.08539	4.1
269.07990	1.9
272.08179	1.3
273.09000	2.4
275.06967	8.4
276.07742	10.3
277.05536	1.5
277.08542	5.8
277.11179	1.0
278.05600	2.6
278.08804	1.2
279.06592	1.6
279.10046	2.9
280.10898	1.1
282.09012	1.6
285.03928	2.6
289.08261	2.1
290.09381	7.9
291.06818	2.0
291.10095	17.8
292.07230	5.9
292.10379	1.9
293.08029	12.1
293.11426	1.9
294.08646	1.4
295.06067	1.2
299.09164	1.5
303.06476	1.3
304.07239	2.4
305.08051	6.1
305.11642	2.8
306.08798	1.9
307.09479	8.2
308.10330	6.9
309.10953	1.2
310.08316	1.9
315.08609	8.1
317.07742	1.1
318.08771	3.1
319.09695	11.4
320.06812	1.6
320.10324	2.3
321.07504	6.2
321.11084	2.8
322.08130	4.1
322.11938	2.5
323.05453	1.6
323.12701	13.0
325.10675	2.6
330.10928	8.2
333.11093	1.4
335.09164	3.0
336.09811	7.5
337.10684	10.9
338.07712	4.0
339.12125	1.8
350.11536	1.5
351.12213	24.8
352.12891	4.8
353.10196	11.1
368.12540	13.0
369.12903	1.7
383.14838	100.0
384.15103	4.7
443.17084	1.8
443.22189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03451	4.3
55.04239	4.5
56.96542	0.8
69.03403	1.4
70.06576	2.1
70.39401	0.7
71.04987	0.9
71.69212	0.7
72.01477	0.8
73.02901	0.8
80.05002	1.3
81.04531	22.5
82.05315	8.7
85.02877	2.9
87.04479	0.6
89.90844	0.7
97.02853	1.5
98.97567	1.7
109.02874	0.8
110.07187	1.2
116.98578	1.1
117.77751	0.8
122.07133	100.0
123.07918	99.5
123.08860	1.2
124.08247	1.3
144.04787	1.0
146.99643	1.1
160.04231	2.6
161.02733	1.0
165.07658	3.4
172.04251	1.4
177.64847	0.7
237.02812	1.1
273.04016	1.7
274.04382	1.1
281.10629	58.5
282.10861	1.4
299.05518	0.9
300.99359	0.9
303.04950	1.1
304.05264	0.8
392.13675	0.8
443.15887	74.3
444.16211	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	443.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64401	2.4
55.12983	2.4
71.21026	2.7
71.68629	3.8
93.45197	2.9
98.97612	4.8
106.52129	2.6
114.17231	2.4
116.98601	6.2
119.01894	2.8
121.01662	2.4
124.32101	3.1
130.25934	2.8
210.63704	2.8
213.29518	2.4
216.98807	3.1
219.01968	7.2
221.01883	5.1
234.96474	3.7
234.99977	12.1
235.99945	2.9
240.98988	3.6
241.34203	2.8
250.97827	5.4
252.97475	5.9
259.00027	28.7
260.00134	6.3
260.99911	7.2
261.03006	7.2
263.02948	9.5
264.98782	3.8
274.97720	10.1
275.98093	3.4
276.97583	9.6
277.00998	39.3
278.01053	6.6
279.00851	5.5
282.99915	48.6
284.00156	8.2
284.99963	4.4
285.99893	3.9
292.98773	3.3
294.98880	2.8
298.97803	5.6
299.09695	12.3
299.97675	4.2
300.09830	4.3
300.97614	11.6
301.00949	100.0
301.09622	16.0
302.01123	19.5
303.00940	12.3
316.65637	3.0
316.98749	9.2
317.10513	3.3
317.98776	5.2
318.98624	17.9
319.01831	6.0
324.02481	5.4
359.00034	2.9
383.00034	2.8
401.01135	9.4
402.01031	3.0
403.00882	10.4
404.00909	5.6
407.00397	7.7
413.00854	2.8
418.97791	16.2
419.97641	3.8
425.01309	18.4
443.02725	61.7
444.02222	9.6
460.99606	24.7
466.03531	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	443.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15154	4.9
55.05507	4.7
56.96549	24.0
57.03423	6.5
58.99844	7.8
60.33794	4.6
65.03951	6.7
67.05477	13.6
68.00423	4.0
69.03417	9.8
70.06569	7.7
71.69012	6.9
73.02899	13.1
74.08218	4.5
75.04457	12.1
77.00889	16.4
85.02891	11.9
91.02428	14.4
93.03380	10.7
95.04946	6.6
97.02885	7.1
98.97565	18.5
101.00867	12.3
103.02441	40.4
103.05479	5.3
109.03487	12.5
110.07201	6.7
115.02386	11.1
116.98594	9.5
117.03992	27.8
117.04698	4.3
119.01909	60.8
120.08082	40.5
121.02728	6.3
121.03524	37.0
125.04480	17.1
128.98582	9.1
130.03665	4.3
131.01901	23.0
133.03442	89.5
134.99608	6.9
135.05026	33.8
136.06114	6.0
137.02914	13.0
141.04013	6.1
143.01898	5.3
145.03442	60.2
146.99663	7.7
147.01343	17.1
147.04764	4.1
149.02939	65.7
151.04492	18.6
153.03964	33.3
156.05029	5.1
156.27206	4.5
156.99823	5.0
157.03426	8.7
158.99696	5.4
159.04968	6.1
161.02908	12.3
163.04478	19.9
165.02463	14.8
165.06096	5.6
167.03955	22.9
167.05360	8.4
169.03477	12.1
170.99779	5.2
171.01422	7.9
171.05005	74.9
173.02933	5.3
175.00908	50.1
175.04497	100.0
176.04611	6.2
179.01903	14.3
179.05495	10.0
181.03412	10.1
181.04938	6.7
183.01498	5.1
183.04999	7.7
185.02896	5.0
185.06564	10.1
187.04453	10.3
189.02310	4.7
189.06055	7.2
191.03929	5.0
193.01900	23.0
193.05499	18.6
195.04987	15.7
197.02942	57.7
197.06557	34.1
198.06093	9.1
201.02408	8.8
203.04041	5.8
207.03471	17.8
211.04492	10.4
215.03972	33.4
217.01865	24.0
219.01732	8.1
219.03661	7.1
221.05048	6.9
223.04485	15.0
225.00729	8.1
225.06042	15.8
229.05522	6.7
240.03433	5.0
241.03212	5.4
241.05539	13.1
242.52536	4.8
245.01387	13.2
245.05257	4.8
249.02499	8.9
251.03998	7.2
257.04971	8.6
259.02960	33.5
259.05347	4.8
267.03537	28.8
273.03799	6.2
277.04044	53.7
279.03168	5.1
283.57260	5.8
285.04532	43.8
299.06104	4.9
303.05356	15.4
304.05402	6.5
309.04660	5.7
313.04181	7.0
327.05399	14.2
334.03000	6.9
339.05530	13.4
345.06815	7.6
355.04968	66.8
357.06531	9.7
373.06155	13.9
376.87457	4.8
383.04059	24.1
385.11386	5.0
397.06186	11.6
400.74548	5.0
415.07214	36.9
443.10159	5.1
443.15991	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	441.3719
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.09897	3.2
53.03923	3.2
55.05495	34.3
57.07050	11.4
59.04980	5.4
62.51336	3.1
63.81802	3.2
67.05492	31.1
69.03419	4.6
69.07056	43.1
69.45151	35.5
71.04985	4.5
79.05488	23.1
81.07040	56.2
83.08596	24.0
91.05453	22.5
93.07023	54.1
95.08587	100.0
97.06524	14.5
97.10149	17.8
99.08052	5.9
105.07007	48.0
107.08575	85.9
109.10133	70.3
111.11713	3.8
117.06998	7.4
119.08553	67.8
121.10112	91.2
123.11673	34.0
127.11160	13.6
129.58498	3.7
131.08540	17.9
133.10101	71.7
135.11668	50.0
137.09546	4.5
137.13216	11.5
139.11188	5.5
141.09041	5.0
143.08498	5.5
143.10629	6.6
145.10078	35.2
147.11673	50.5
149.13228	32.6
157.10112	11.2
159.11647	37.0
159.43254	4.1
161.13229	31.6
163.14746	18.6
169.10123	7.1
171.11658	11.6
172.18736	3.8
173.13225	24.5
175.14746	20.4
177.16400	10.8
183.11685	4.4
185.13255	10.9
187.14745	23.9
189.16324	31.4
191.17863	21.0
197.13155	4.1
199.14772	15.7
201.16330	44.1
203.17897	39.1
205.15854	5.8
211.14751	6.1
213.16356	6.3
215.17920	14.7
217.19412	17.4
225.16495	6.2
227.17950	7.3
229.19286	5.8
241.19395	7.2
249.18628	4.1
253.19482	7.5
267.21021	29.5
281.22943	3.7
285.22165	9.4
295.24158	4.2
297.25684	4.9
303.23154	40.2
303.26343	5.9
339.46509	4.1
405.35095	9.7
423.36127	49.4
441.37244	82.0
442.37469	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	441.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.2
57.03417	4.0
57.07063	20.6
65.03927	3.2
67.05499	20.2
69.07056	76.5
71.04990	3.4
71.08603	5.1
71.71378	3.9
71.71735	5.8
71.79626	3.4
74.42127	3.5
79.05473	6.6
81.07038	42.7
83.08607	53.3
91.05471	12.2
93.07022	22.7
95.08590	63.7
97.06545	3.8
97.10159	22.9
105.07005	25.7
107.08572	29.9
109.02916	3.4
109.10131	50.0
111.11708	8.2
117.06950	4.7
119.08570	28.8
121.10111	25.1
123.08061	7.3
123.11698	18.8
125.09642	3.8
128.06146	4.1
131.08545	10.9
133.10117	44.5
135.11684	14.3
137.09647	3.5
137.13245	11.6
141.09070	9.6
143.08539	10.3
145.10095	23.5
147.11685	18.4
149.13220	9.5
155.08553	7.6
157.10091	16.3
159.11662	20.7
161.13243	18.8
163.14774	7.0
169.10109	10.8
171.11690	18.2
173.13179	18.0
175.14822	8.4
177.16466	4.7
179.01208	3.3
183.11681	13.6
185.13177	9.9
187.14799	12.8
189.16400	4.4
191.17877	5.8
195.11632	5.5
197.13239	16.2
198.20634	3.7
199.14804	9.8
201.16359	11.0
203.17940	4.6
209.13318	6.2
210.14088	3.9
211.14767	14.4
213.16426	7.3
215.17900	5.6
225.16371	8.9
227.17868	5.7
231.20927	4.4
239.17885	8.4
241.19341	5.1
243.20741	3.0
253.19572	5.4
260.92413	3.5
267.21030	70.3
271.23880	4.0
275.20029	3.9
281.22644	5.8
285.22119	21.3
289.21518	7.0
295.24017	6.8
301.21576	10.5
303.23132	100.0
304.23560	3.9
331.26245	11.7
405.34915	10.8
423.36523	15.8
441.37125	42.0
459.74219	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05505	36.4
57.07073	21.6
60.21202	3.1
64.04434	2.9
65.64726	3.1
66.09167	2.9
67.05492	29.0
69.03397	4.2
69.07060	72.4
69.89384	3.1
70.22762	16.1
71.08617	5.1
79.05467	11.5
81.07038	44.0
83.08611	38.3
91.05477	12.3
92.56750	3.6
93.07023	27.1
95.08596	60.1
97.06467	4.1
97.10148	20.6
105.07019	29.2
107.08566	37.6
109.10136	46.6
111.08129	3.9
111.11682	7.4
117.06973	7.1
119.08569	36.7
121.10128	30.1
123.08036	6.4
123.11705	15.7
127.11153	3.4
131.08534	16.6
133.10118	47.1
135.11636	17.3
137.09590	3.5
137.13231	7.1
140.64717	3.5
141.09052	11.5
143.08554	8.5
145.10085	20.0
147.11665	25.2
149.13242	13.0
155.08519	7.2
157.10088	15.1
159.11726	25.6
161.13210	18.9
163.14795	9.8
165.79451	3.2
169.10112	12.2
171.11676	17.7
173.13245	16.7
175.14760	7.1
177.16411	7.5
182.10893	3.5
183.11678	12.3
185.13269	19.3
187.14780	13.2
189.16312	8.3
195.11613	4.2
197.13187	16.8
199.14781	14.4
201.16362	15.7
203.17955	6.0
209.13135	4.4
211.14783	12.9
213.16377	9.8
215.17882	9.3
217.19461	4.1
223.14848	5.4
225.16331	12.3
227.18031	6.3
229.19493	3.8
237.16417	4.9
239.17981	10.4
241.19421	4.0
251.17851	3.5
253.19553	6.9
267.21060	70.3
268.21408	5.6
285.22177	26.0
285.25217	4.6
289.21667	4.4
295.24109	3.9
301.21445	9.7
303.23169	100.0
304.23508	4.0
313.25250	4.4
331.26196	14.6
405.35025	14.3
423.36209	25.0
432.00027	3.7
441.37201	61.7
442.37695	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	441.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
54.82561	1.7
54.90466	1.6
55.05502	28.9
57.07069	29.2
61.73608	1.6
67.05492	21.9
69.03406	3.9
69.07057	65.4
69.69768	1.8
69.99268	11.5
71.08621	4.0
79.05475	10.2
81.03471	1.7
81.06610	2.4
81.07046	30.2
83.06646	1.7
83.08608	55.5
91.05468	11.9
93.07027	12.6
95.08593	46.3
97.06484	2.2
97.10153	17.5
105.06995	20.7
107.08563	19.5
109.10143	41.8
111.11700	5.0
117.06984	3.3
119.08558	20.6
121.10124	29.0
123.08044	4.4
123.11698	17.6
129.06969	2.6
131.08546	13.6
133.10109	33.7
135.11661	10.9
137.09573	3.8
137.13240	10.4
141.09042	7.4
143.08534	12.1
145.10098	17.1
147.11673	17.4
149.13226	8.4
151.14810	3.4
155.08505	7.4
156.09326	3.3
157.10074	11.2
159.11656	14.2
161.13211	11.7
163.11147	2.1
163.14755	7.7
169.10095	11.8
171.11691	13.0
173.13223	11.3
175.14772	5.4
177.16356	3.3
181.10048	2.2
183.11639	13.8
184.12540	1.8
185.13271	12.2
187.14803	8.1
191.17891	3.5
195.11632	4.9
196.12430	2.8
197.13216	12.9
198.13985	3.4
199.14801	10.3
201.16322	9.5
201.88712	1.8
203.14230	2.1
203.17969	3.9
209.13255	3.3
211.14766	12.7
213.16327	6.7
215.17953	3.6
223.14691	2.4
225.16272	11.0
227.17923	4.6
229.19542	2.1
231.17357	2.4
237.16328	3.5
239.17894	7.1
241.19534	3.8
243.17500	2.1
243.21194	2.8
245.18942	2.3
253.19455	5.7
255.21065	3.0
257.19125	3.0
257.22632	2.4
265.19427	2.5
267.21054	66.7
271.20813	2.8
271.23907	2.4
275.19995	3.1
285.22061	23.5
289.21515	4.3
295.24133	4.2
299.23581	3.8
301.21570	10.5
303.23145	100.0
304.23477	4.8
311.23605	2.4
317.24597	2.6
329.24680	2.5
331.26285	10.2
394.33325	2.0
405.35245	10.8
423.36200	10.0
441.31134	3.4
441.37189	44.9
442.37732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05493	20.0
57.07050	8.8
61.07392	5.3
67.05488	32.5
69.07053	32.7
71.04994	4.8
71.89971	4.7
73.46086	4.7
73.96268	6.1
77.99000	6.4
78.16502	5.2
79.05475	21.2
81.07044	58.1
83.08589	12.7
91.05468	19.2
93.07010	35.4
95.08594	100.0
96.06524	5.2
97.10151	10.9
98.20572	11.6
99.08054	7.9
105.07014	41.0
107.08574	69.4
109.06491	7.8
109.10140	77.5
117.07040	10.2
119.08556	64.5
121.10132	64.6
123.11676	24.0
127.11175	21.6
131.08557	11.9
133.10120	64.4
135.11685	40.3
139.11108	12.6
143.08487	6.3
143.15846	5.6
145.10078	28.7
147.11658	38.7
149.13252	21.8
159.11668	50.3
161.13210	37.6
162.35962	5.8
163.14796	9.4
171.11702	13.7
173.13228	23.4
175.14783	26.5
177.16374	12.8
179.17746	6.8
187.14824	27.7
189.16367	34.1
191.17912	12.7
193.15761	6.5
199.14816	11.8
201.16365	53.7
203.17973	30.6
205.15765	10.5
207.17514	7.7
215.17860	27.7
217.19473	17.4
221.18829	6.3
229.19461	10.0
392.81573	5.8
405.34973	7.1
423.26230	5.7
423.36176	81.1
441.37485	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	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05502	37.1
55.63881	3.0
57.07064	32.6
67.05501	19.5
69.03404	3.9
69.07056	77.0
71.08604	4.1
76.04391	3.2
79.05482	7.9
81.07040	51.6
83.08607	81.1
83.37199	2.9
91.05460	12.8
91.85539	3.1
92.28869	2.9
93.07030	18.7
95.08592	49.7
97.06536	3.4
97.10150	16.7
104.14608	2.7
105.07022	22.6
107.08580	32.7
109.06503	2.7
109.10133	45.6
111.08032	2.8
111.11745	2.4
117.06992	4.1
119.08552	28.7
121.10107	23.9
123.08049	5.1
123.11704	21.8
129.06989	4.7
131.08577	13.6
133.10101	38.6
135.11684	15.3
137.09679	4.9
137.13235	11.4
141.09103	7.4
143.08543	9.2
145.10107	22.2
147.11650	17.6
149.13229	13.8
151.14790	2.8
155.08533	5.4
156.09322	3.3
157.10155	10.9
159.11655	12.8
161.13217	15.5
163.14792	12.6
169.10129	11.2
171.11592	13.5
173.13231	14.3
175.14844	5.7
177.16159	3.0
183.11681	14.7
185.13216	14.1
187.14787	13.8
189.12721	3.0
189.16405	4.0
191.17914	4.8
197.13240	16.3
199.14751	13.2
201.16301	13.5
203.17970	9.1
205.15804	3.3
209.13286	3.9
211.14775	17.8
213.16324	9.3
215.14359	3.2
215.17931	7.5
223.14775	3.4
225.16386	9.3
227.17941	6.5
229.16016	4.7
231.17365	4.8
231.21066	3.4
237.16382	3.4
239.17929	5.4
239.82599	2.8
241.19582	3.1
243.17525	2.8
243.20915	3.4
251.17958	3.4
253.19490	8.0
255.21014	3.7
267.21042	69.0
268.21320	3.6
269.22702	3.5
271.20605	3.6
275.20001	6.0
281.22665	3.8
285.22223	18.1
286.22723	2.9
289.21509	6.5
295.24066	4.8
301.21585	8.6
303.23138	100.0
304.23538	4.8
317.24875	4.9
331.26178	7.8
405.35120	12.5
423.36243	19.1
428.64133	2.9
441.37250	52.0
447.21545	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	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03942	3.0
53.92646	2.3
55.05493	12.2
57.07052	8.6
67.05506	15.6
69.03430	2.6
69.07063	33.8
71.08619	5.2
75.66509	2.1
79.05474	14.3
81.06609	3.6
81.07047	47.8
83.08629	13.9
91.05463	9.5
93.07028	27.8
95.04967	2.1
95.08010	3.8
95.08598	57.5
97.06469	2.3
97.10156	9.0
98.20631	4.0
103.94285	2.0
105.07021	36.1
107.08581	45.1
109.10146	42.6
111.08015	2.5
111.11687	3.2
117.07019	3.6
119.08565	45.6
121.06521	4.5
121.10125	38.3
123.08080	5.2
123.11688	22.9
131.08551	17.2
133.10115	33.4
135.11690	25.2
137.09569	3.0
137.13214	7.6
141.09099	2.9
143.08545	5.0
144.09317	2.3
145.10095	27.3
147.11671	27.7
149.09567	2.9
149.13216	20.0
151.11208	3.4
155.08531	4.0
157.10107	10.2
159.11673	34.3
161.13242	19.7
163.14775	10.9
165.12727	3.1
167.10707	2.5
169.10121	6.2
171.11653	10.8
173.13257	17.2
175.14816	17.7
177.12767	6.8
177.16388	4.3
179.34613	2.4
181.12206	2.3
183.11696	5.5
185.13208	7.1
187.14787	13.0
189.16388	14.2
191.17941	8.9
193.12228	6.7
193.19485	4.2
194.59671	2.3
195.11774	3.3
196.12408	2.8
197.13216	4.5
199.14864	7.0
201.16367	7.9
203.14372	4.2
203.17979	4.7
205.15875	6.5
205.19485	7.7
209.13197	4.2
211.14850	5.6
213.16443	4.1
215.17883	7.3
217.15826	3.9
217.19475	8.7
219.21114	5.7
223.14879	3.8
223.16899	3.1
225.16318	3.3
227.18083	2.8
229.19496	4.3
231.17587	3.8
231.21043	11.6
235.16852	5.4
237.16348	3.1
239.17955	7.7
241.19514	2.9
243.21196	2.9
245.19347	2.7
245.22627	18.4
251.17970	3.1
255.21100	3.8
257.18884	4.6
257.22641	2.4
265.19513	2.5
269.22662	3.1
271.24146	8.7
275.20004	2.4
279.21066	3.8
283.24112	4.1
284.81046	2.5
285.25739	4.0
287.27280	5.1
293.22635	3.4
297.25604	3.3
317.90915	2.7
355.33417	4.3
405.35144	23.0
423.36133	51.6
424.36591	3.9
441.37250	100.0
442.37833	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	24.7
57.06955	1.2
61.51773	1.4
68.96618	1.2
71.69661	1.7
71.95231	1.5
84.05882	1.2
84.95994	9.3
85.02866	1.5
98.97568	100.0
110.97559	28.3
112.99067	1.8
116.98611	50.4
118.50306	1.4
124.99124	2.7
127.00695	2.7
128.98590	36.0
131.00171	1.9
134.99629	13.9
136.88652	1.4
140.00200	2.3
140.98553	10.3
143.00157	15.2
143.01871	1.4
145.00720	3.2
146.99643	20.2
149.01163	1.7
152.98573	5.0
155.00137	1.7
158.98378	2.9
158.99628	40.2
160.01311	1.9
160.51352	1.6
161.01195	16.4
165.00729	3.6
170.99631	28.0
171.01036	0.9
173.01212	2.2
173.02998	2.3
174.99211	2.0
177.00691	38.3
177.04155	1.6
179.02310	1.7
181.51840	1.3
182.97142	1.8
182.99603	16.6
187.51860	1.4
189.00684	32.8
190.52452	1.7
194.99820	1.4
195.01698	3.3
201.00676	63.2
207.01714	7.9
212.02695	2.1
213.00728	5.7
219.01723	54.8
231.01700	6.3
232.53477	2.7
233.03462	3.8
235.10031	1.5
237.02791	25.1
242.03470	2.4
243.01743	21.8
255.03836	1.7
261.02789	96.7
262.03088	4.0
271.18845	1.4
273.02686	7.1
279.03848	65.5
280.04263	1.3
291.03839	16.0
297.04880	3.7
302.05319	3.0
309.04895	2.8
321.01523	2.0
321.04871	40.0
333.04700	4.0
351.05948	5.0
381.07071	3.9
399.07965	3.2
441.09177	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	441.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01851	1.5
55.05495	12.4
57.03416	3.0
57.07070	6.5
64.60477	1.5
67.05495	12.9
69.07053	21.1
69.51235	11.0
69.51646	2.6
71.04982	3.1
71.08634	9.8
79.05481	9.2
81.07040	21.9
83.04951	4.4
83.08594	11.2
85.06527	1.7
91.05473	8.5
93.07030	13.1
95.04972	2.1
95.08592	21.6
95.47145	1.4
97.06480	3.0
97.10147	3.8
98.20648	2.4
99.08066	8.8
99.20676	1.3
105.07008	9.0
106.28400	1.3
107.08560	13.0
109.06493	11.0
109.10159	10.1
111.08077	4.6
117.06944	1.4
119.08547	12.6
121.06482	1.3
121.10140	11.7
123.07146	1.6
123.08039	33.5
123.11701	3.4
125.09648	1.9
131.08539	3.1
133.10135	10.3
135.08018	7.4
135.11667	5.3
137.09581	3.4
137.13216	2.5
145.10086	4.5
147.11639	4.6
149.09589	4.5
149.13239	2.8
153.12753	5.3
159.11673	3.9
161.13239	2.2
163.11136	1.5
163.14838	2.2
165.12692	2.0
167.14217	1.6
173.13210	3.3
175.14848	2.6
177.12724	2.6
179.14281	47.8
180.14586	1.8
187.14845	1.6
189.16377	2.2
191.14230	3.6
193.15913	3.2
197.76013	1.6
205.15717	2.0
233.18906	1.6
251.19940	12.2
275.20108	2.5
293.21005	7.0
293.28357	3.9
303.26697	13.7
321.27731	2.4
331.26251	53.9
332.26764	2.0
349.27319	61.1
350.27777	2.0
405.29987	4.9
423.31006	100.0
424.31326	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	440.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.0
56.96526	2.4
57.03425	18.1
59.04987	4.7
60.04499	3.2
60.83346	1.9
61.02913	2.1
67.05479	5.9
69.03423	67.0
69.07056	61.0
70.06571	5.5
70.30206	9.7
71.04953	3.6
73.02897	3.7
73.70569	2.0
74.75169	1.9
75.04462	2.8
79.05476	3.9
81.03388	4.5
81.07047	11.2
85.02897	66.1
87.03957	2.5
87.04458	45.1
91.05448	3.2
93.07035	4.6
95.08597	3.8
97.02877	54.9
98.97553	15.2
99.04429	2.5
105.07008	3.0
107.08582	4.6
109.02847	3.9
109.10122	3.7
111.04440	2.3
111.11707	18.1
115.03914	68.9
116.98605	7.8
119.08518	3.9
121.10204	2.7
121.93945	2.0
127.03951	10.6
127.04732	2.0
133.04955	68.2
134.05327	2.3
135.11668	4.2
143.08530	2.2
145.04933	16.4
150.07584	11.0
151.11252	2.2
158.99683	4.8
162.38400	2.6
163.05975	4.9
177.00716	6.1
200.54442	2.0
201.95534	2.1
203.05231	7.8
220.10338	18.9
220.60521	3.0
227.09349	1.8
229.10939	6.7
240.57471	2.0
241.07050	2.7
258.09711	2.0
259.08105	2.7
277.09177	3.4
285.03946	3.2
295.15640	3.6
337.16641	3.0
440.22946	3.3
441.24557	100.0
441.30777	4.7
457.21005	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	440.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27825	1.3
55.01847	1.4
56.96548	1.4
58.99578	6.7
66.13309	1.2
70.06571	4.1
70.69020	4.7
72.08122	1.5
76.02219	10.0
79.53284	1.2
79.93394	1.2
84.04502	2.7
84.08091	1.3
85.02900	1.6
86.99043	1.6
91.05464	2.7
98.97569	3.0
100.02196	8.0
115.03916	1.3
116.98658	1.3
122.05982	1.3
124.49480	1.3
134.38675	1.2
136.07503	2.4
137.07074	1.3
138.05490	2.1
146.02684	7.7
153.01895	1.9
163.03894	7.0
170.09651	2.1
172.07471	3.6
175.08707	2.3
186.09137	4.1
187.12238	2.0
188.03716	3.5
189.10170	2.7
196.07559	3.8
198.09158	6.5
200.07143	1.9
213.10139	9.7
214.08551	3.2
215.08173	1.7
215.11813	3.9
217.09720	5.3
226.07240	2.8
227.11794	3.2
231.11247	3.2
235.10742	8.8
237.02884	1.7
239.08179	1.8
240.08852	5.2
241.09691	35.0
242.05048	2.3
242.08081	3.3
242.10323	2.6
243.09021	2.0
243.11290	23.0
245.04419	1.8
254.10516	2.4
255.11201	8.1
257.12830	1.5
258.12393	10.5
259.10736	27.5
260.08969	2.4
261.04016	2.4
271.09045	1.4
273.03784	4.7
273.06714	2.2
273.12274	3.0
274.04254	5.0
276.02692	1.6
277.03082	4.7
277.11661	2.0
278.03552	2.4
283.10782	8.4
284.09253	1.7
284.13797	1.7
285.12280	13.4
286.09409	3.2
289.03305	9.3
290.03745	18.9
291.04327	1.6
296.06311	1.4
299.08475	4.1
301.03381	1.6
301.11792	33.7
302.03589	4.4
302.09988	2.9
303.04797	1.6
303.13379	5.4
309.06738	1.8
316.05304	2.5
316.11258	1.5
317.13623	27.2
318.12851	4.9
319.04468	4.5
319.12988	7.4
320.04788	13.4
326.07242	1.6
327.07529	3.2
330.06711	2.3
344.04712	5.9
356.04831	2.8
360.13882	2.1
362.11639	9.7
363.09970	5.3
368.04675	1.7
374.05844	3.9
386.05713	5.3
404.06891	6.5
404.12640	23.1
405.11157	11.7
408.66348	1.4
422.08603	4.6
422.13736	100.0
423.12866	11.2
440.09546	3.2
441.11237	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	439.2298
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05486	0.5
67.05496	0.7
69.07048	0.4
70.06572	1.6
70.30445	1.7
79.05457	0.8
79.44083	0.4
81.03407	0.6
81.07037	1.7
86.09670	0.5
87.32712	0.4
91.05459	1.2
93.03137	1.4
93.07004	0.7
95.08568	0.6
97.02867	0.4
105.06989	0.8
107.08566	0.5
109.10102	0.5
120.08014	0.6
121.10121	0.6
123.11642	0.7
133.10060	0.6
137.13304	0.4
155.08376	0.4
158.66115	0.4
161.09651	0.5
165.09038	0.5
174.74051	0.4
182.54135	0.5
191.07957	0.4
201.03645	2.0
203.05217	10.4
203.07019	0.7
259.16672	4.7
261.18240	4.0
264.87805	0.4
289.03305	0.9
319.04520	0.9
343.04343	0.6
353.15662	0.5
438.28250	0.4
439.22964	100.0
440.23285	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	439.3563
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.82096	1.0
55.01869	0.9
55.05519	5.0
55.05722	0.9
55.30095	0.9
57.03428	1.1
57.07061	1.2
59.04983	1.5
67.05494	12.5
69.03422	6.4
69.07060	17.2
71.04995	2.3
71.08591	0.9
71.63174	1.5
79.05474	3.2
81.07043	17.0
83.07797	1.1
83.08609	4.5
86.39774	1.0
91.05467	2.8
93.07015	5.4
95.08588	28.1
97.06538	1.9
97.10155	2.7
105.07014	8.4
107.08594	8.3
109.10134	25.1
111.11681	1.1
111.17390	0.9
117.07059	1.6
119.08555	7.8
121.10138	8.4
123.08051	6.5
123.11698	5.5
129.06981	2.1
131.08563	4.3
133.10104	12.0
135.11653	3.2
137.13190	1.2
141.09088	12.3
142.07799	1.9
143.08551	4.9
145.10086	5.2
147.11644	5.8
148.35344	0.9
149.09633	1.2
149.13168	2.0
151.14792	2.0
155.08490	2.2
156.09438	1.1
157.10068	6.6
159.11646	8.7
161.13266	3.0
163.14821	1.7
165.16269	1.3
169.10100	4.3
170.10892	1.3
171.08041	3.5
171.11699	5.1
173.13258	3.7
175.11128	1.1
175.14822	2.9
177.16449	2.8
181.10158	1.7
183.11615	5.0
185.13284	6.0
187.14848	3.2
189.16342	1.9
195.11745	4.6
197.13214	4.6
199.14771	2.8
201.16399	3.7
203.18057	0.9
207.11647	2.0
209.13243	4.0
211.14809	4.4
213.16339	3.1
222.14014	1.1
223.14890	3.2
223.17316	0.8
225.16464	2.9
227.18001	1.7
237.16400	4.7
239.17853	1.8
241.19493	1.4
251.17825	2.3
253.19511	1.3
255.17432	3.0
257.19183	1.2
267.20895	1.4
273.18515	8.2
275.20331	1.8
279.21161	1.3
283.20648	1.0
287.20013	7.0
288.20370	1.2
289.21738	1.5
293.22641	1.2
301.21393	2.3
309.22180	1.3
315.23120	1.5
327.22827	1.3
329.24860	1.2
339.30536	1.4
365.28525	2.0
383.29181	1.0
403.33362	4.8
421.34689	3.4
439.35733	100.0
440.36069	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	439.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.57652	0.7
55.01851	1.1
55.05495	3.2
57.03414	1.0
57.07061	0.9
59.86920	0.6
65.03905	1.0
67.05492	5.3
68.99800	0.8
69.03419	6.4
69.07045	3.1
70.06568	2.8
71.71040	1.1
79.05486	5.5
81.03391	3.4
81.07054	7.7
83.05000	3.6
83.08581	1.0
84.08160	1.3
85.02876	3.9
85.06540	0.8
86.09673	1.4
91.05471	7.7
93.07039	4.9
95.04967	4.9
95.08591	2.8
97.02876	2.3
97.06509	1.4
98.09667	3.1
99.04420	1.0
100.07597	0.8
100.11247	2.0
103.05465	1.1
105.01804	0.8
105.07023	10.0
107.04922	3.7
107.08584	19.1
109.02891	1.8
109.06488	3.2
109.10145	6.4
111.04436	3.2
115.05454	1.1
117.07031	1.9
118.07812	1.0
119.08576	4.6
121.02797	0.7
121.06493	2.9
121.10132	10.3
122.07265	5.7
123.08054	1.6
127.03915	3.1
129.06984	1.0
131.08556	3.6
133.10114	100.0
134.10458	2.6
135.08034	7.5
135.11691	1.8
137.05957	1.4
137.09598	51.1
138.09955	1.1
141.67204	0.8
142.12238	1.2
143.08540	1.5
145.10130	3.4
147.07980	0.8
147.11639	2.4
149.09598	7.8
149.13243	8.5
158.10928	1.6
159.11673	1.2
161.13252	1.3
163.14845	1.8
168.13835	1.5
170.11794	1.4
170.15385	2.6
173.13264	6.8
175.11188	1.0
178.04921	1.1
182.15387	1.5
185.09518	1.0
191.14281	39.1
192.14769	1.2
196.13205	1.4
198.14897	2.8
203.05223	1.7
210.14906	2.6
213.03940	1.5
217.05014	0.9
233.15175	0.8
243.15973	1.3
259.16714	0.7
261.18106	1.0
273.03864	1.3
285.03824	0.9
285.09372	1.1
289.03543	1.8
299.16360	0.8
313.03424	1.5
314.04248	1.0
396.28568	1.4
422.30057	1.4
439.10382	1.2
439.23636	12.0
439.32605	1.6
441.88477	0.8
449.11206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13937	1.4
50.92436	1.7
51.22417	1.5
56.96555	24.8
70.06567	5.0
71.70050	2.4
74.80743	1.6
84.08133	3.2
84.96048	2.4
85.02908	4.3
97.02843	2.3
97.42155	1.6
98.34138	1.6
98.97564	100.0
103.03932	2.3
110.07163	2.3
110.97557	4.7
116.98602	61.4
121.02782	1.5
128.98572	10.4
134.99628	30.5
136.06187	2.3
140.00137	3.0
143.00195	2.7
144.98102	3.2
146.99603	10.3
147.03262	2.4
149.01248	2.5
158.01161	2.0
158.99622	33.7
161.01187	4.6
162.99158	3.6
163.02831	1.6
165.04349	2.8
170.99655	5.5
171.03265	3.9
174.15099	1.6
177.00671	53.3
189.00806	4.0
189.04286	13.7
195.01662	1.9
200.02342	4.6
205.00223	2.7
207.05420	5.1
217.04964	2.1
219.01721	15.2
231.05386	3.0
237.02747	31.8
241.04895	2.0
243.02974	2.6
245.04485	7.3
255.03537	2.2
259.02283	2.9
261.03741	4.8
273.03888	14.0
275.90466	1.8
276.02560	3.8
277.03250	4.8
283.02274	1.7
287.01852	2.1
287.05319	2.8
289.03384	56.0
290.03677	1.9
291.07413	31.0
297.03781	3.0
301.03345	4.7
309.08514	94.2
311.05484	3.3
315.04800	10.8
319.04465	31.6
332.10123	7.5
343.04416	19.7
351.09552	23.6
355.04532	5.4
363.09390	2.7
367.04547	7.8
373.05554	6.3
385.05411	5.6
385.26724	2.0
389.07498	2.0
403.06622	6.7
421.10312	14.4
439.11215	52.7
440.11496	3.0
451.95410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62151	0.9
55.01854	1.3
60.18715	0.7
70.73360	1.9
70.73722	1.7
85.02892	2.5
97.02892	1.4
103.03981	1.3
109.02853	1.5
110.66428	0.9
123.00807	1.6
125.96696	0.8
151.04161	0.9
165.01791	0.9
169.01338	2.7
169.02705	1.0
171.04419	1.0
179.30486	1.0
185.00882	1.0
189.05524	0.9
199.03885	1.4
213.05190	1.3
215.03276	1.2
217.04973	1.5
225.05380	1.0
227.03438	1.7
231.02899	2.0
235.02350	2.4
241.04890	1.7
243.02917	1.4
245.04453	5.1
261.03842	4.2
261.88412	1.1
269.04425	3.5
271.02225	1.1
273.03888	22.0
276.02646	5.9
277.03354	7.3
279.01260	1.5
285.03882	1.6
287.02213	1.5
287.05472	7.9
289.03387	100.0
290.03870	5.2
297.03864	2.2
301.03439	12.9
301.06754	1.4
303.04971	1.3
311.05435	2.6
313.03342	3.7
314.04083	1.4
315.01395	2.1
315.04953	21.8
317.02573	1.3
319.04443	53.6
320.04459	1.5
327.04858	3.1
329.06448	7.2
339.04935	4.4
342.98071	1.1
343.04440	30.2
355.04446	15.2
357.06021	1.8
367.04480	11.7
373.05444	10.4
385.05466	14.4
403.06537	12.2
421.07617	4.4
439.08588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
62.27649	1.2
69.03423	1.9
69.63848	8.9
81.03382	1.7
85.02885	7.3
86.65394	1.0
97.02901	2.2
98.21486	1.9
99.04415	1.0
103.03902	2.3
109.02918	1.4
137.02286	1.2
145.04901	1.2
148.17897	1.2
153.01799	2.7
161.06006	1.1
165.01845	1.7
171.04370	1.5
189.05412	2.2
197.00812	1.0
199.03937	1.8
203.03357	5.6
213.05460	1.4
215.03423	3.3
217.04979	7.8
221.04375	1.3
225.05516	1.4
227.03392	4.0
229.04980	1.4
231.02875	8.2
233.04449	2.8
235.02312	1.3
241.04945	4.9
243.02898	6.5
244.03571	4.7
245.04417	15.6
253.04832	1.6
255.02902	5.2
255.06497	1.9
256.03671	1.1
257.04462	6.6
259.02301	11.2
259.06113	2.1
261.03958	12.0
268.03720	1.2
269.04294	7.6
271.02368	5.9
271.05676	1.0
272.03180	5.5
273.03900	37.6
274.04141	1.5
276.02631	9.5
277.03400	73.8
278.03622	1.6
281.04443	1.5
283.02374	4.8
283.05859	1.9
285.03931	2.6
286.04703	1.3
287.01840	5.6
287.05502	13.2
289.03384	100.0
290.03857	4.8
291.04935	4.6
297.03848	8.5
299.02121	1.2
299.05447	4.1
300.02484	2.4
301.03445	17.5
301.06729	1.3
303.04947	3.4
309.03860	2.0
311.05457	6.7
313.03345	4.4
314.04034	1.3
315.04938	21.0
319.04440	68.3
325.03513	3.6
327.04938	4.6
329.06519	5.0
339.04865	5.2
343.04401	37.4
344.04749	1.8
349.03101	1.3
355.04367	14.5
357.06171	2.2
367.04459	14.9
373.05487	14.0
385.05487	20.5
403.06577	16.5
421.07538	5.6
439.08545	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	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02952	0.9
51.87897	1.0
55.01867	1.9
57.03435	2.2
61.01062	0.9
61.02888	1.1
68.99801	1.3
69.03434	1.5
70.06583	2.1
70.53567	3.8
81.03392	1.0
85.02888	6.3
91.05459	1.8
103.03928	1.6
107.01303	1.2
109.02847	1.7
110.07185	1.4
110.12324	1.0
120.91400	1.0
121.02843	4.3
122.75259	1.2
133.06546	1.0
145.02850	1.2
153.01819	1.3
161.02318	1.1
165.01793	1.6
171.04469	1.4
175.03828	1.4
177.01869	1.2
187.03801	1.5
189.01787	1.2
191.03334	1.3
195.02829	2.0
203.03320	1.9
207.02927	1.9
215.03398	2.1
217.04915	3.8
219.02707	1.1
227.03407	2.9
231.02896	3.7
234.11565	1.1
241.04938	3.4
243.02966	2.7
245.04387	6.7
247.02365	1.6
249.03979	1.2
255.02838	3.6
257.04501	2.9
259.02377	5.0
261.03925	12.5
269.04514	3.8
272.03195	2.9
273.03885	21.1
274.04575	1.9
276.02615	22.1
276.05536	1.8
277.03366	15.7
283.02408	3.7
283.05896	1.7
285.03900	1.9
287.02191	2.0
287.05515	3.5
289.03366	100.0
290.03979	7.4
293.04318	1.2
295.05957	3.7
297.03979	6.6
297.06812	1.2
301.03397	20.5
301.06537	0.9
302.04117	1.8
303.04901	5.4
307.06000	3.4
308.06854	1.3
311.05499	3.8
313.03455	3.2
314.04108	1.4
315.01501	1.3
315.04941	15.5
317.03162	1.3
319.04431	67.6
320.04825	1.4
321.07620	1.5
322.08057	1.5
325.06937	9.0
327.04950	2.1
329.02957	1.5
329.06454	7.8
331.04495	1.7
339.04977	3.7
341.02954	1.5
343.04395	30.8
349.06021	1.2
355.04468	10.2
357.06125	4.8
365.10236	2.8
367.04410	5.4
373.05444	18.5
375.08273	1.4
379.08047	1.3
385.05493	16.2
391.08243	3.1
393.09378	1.2
403.06613	19.4
421.07684	23.7
439.09131	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	438.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.0
57.60803	9.9
60.57601	11.9
61.61068	10.9
64.38797	10.9
67.05486	29.4
69.07058	27.1
69.73312	59.8
69.73725	28.1
79.05490	27.9
80.79660	10.3
81.03465	11.9
81.07017	56.3
86.36228	15.4
89.06010	65.2
89.70327	10.8
91.05483	26.0
93.07039	24.8
95.08626	21.1
96.31918	10.4
97.06491	11.9
105.07040	26.2
107.04967	11.5
107.08555	15.3
109.06507	26.8
119.08598	22.0
133.08611	34.0
133.10141	16.5
147.11578	17.6
239.14880	39.4
247.20578	15.1
275.19998	100.0
307.22806	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55775	3.0
51.72641	2.9
52.03576	2.8
54.73335	3.0
58.99863	4.6
60.55528	3.3
67.69745	2.9
69.73631	2.9
71.27519	6.1
84.76723	3.3
101.00859	13.3
103.02419	5.2
115.02433	4.7
117.03980	20.1
119.01909	57.9
119.21147	3.2
120.01904	3.3
121.03490	4.4
126.98769	3.5
127.02351	5.7
131.01883	13.4
133.03418	14.4
135.05046	18.1
137.02946	14.2
143.01859	15.2
144.99785	8.9
145.03444	82.4
147.01357	5.2
147.04999	11.6
149.02878	3.7
157.03447	9.1
159.01326	4.0
159.05014	13.7
161.02980	16.6
163.00830	4.3
163.04527	27.1
169.03410	16.3
171.01379	15.4
172.99339	8.0
173.02951	11.5
175.04462	8.3
185.02934	12.1
187.00830	14.0
187.02725	4.3
187.04456	35.4
189.02414	26.7
191.00432	7.0
191.03938	4.1
195.01358	20.1
199.00885	6.0
199.04486	7.7
203.03984	12.5
205.01932	8.9
207.03484	7.5
210.06155	3.5
213.02415	51.2
215.00313	12.7
217.01915	8.1
217.05589	7.8
219.03491	5.2
227.04080	4.5
229.01962	4.7
231.03419	17.3
239.00378	9.2
241.01897	16.0
243.03569	5.2
245.05182	15.5
247.04958	7.2
251.02448	13.1
255.98346	3.1
257.01309	18.0
257.05121	5.9
259.02954	5.7
261.04495	4.8
266.99814	7.6
273.04514	13.5
275.02377	14.0
289.03741	6.4
289.33398	3.1
299.02423	8.0
301.00439	20.8
301.03763	5.3
315.05551	9.9
317.03586	7.4
329.00015	4.1
333.02982	17.5
333.06473	5.4
343.01208	3.8
359.04797	4.3
361.02457	100.0
362.02682	7.3
377.05594	3.4
391.03183	3.5
403.03625	6.3
406.61115	3.0
421.04791	7.3
439.13638	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	437.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18576	1.8
53.03938	11.5
55.01856	8.6
55.05503	21.9
57.03429	7.0
57.07071	2.4
65.03931	4.3
65.05165	1.9
65.51761	1.9
67.05494	61.8
67.35641	1.9
69.03416	16.9
69.07053	21.3
71.04985	7.3
71.52701	4.6
79.05486	48.1
81.03405	36.1
81.07043	100.0
82.03709	2.4
82.07355	2.1
83.04974	5.9
83.08613	15.1
84.84473	1.6
85.02907	13.7
85.06510	5.0
86.81578	1.8
91.05470	38.8
93.07032	38.6
95.04958	16.4
95.08591	33.6
97.02857	10.6
97.06509	10.5
97.10158	4.2
99.04443	6.4
99.08049	2.9
105.07020	34.3
107.04938	13.7
107.08575	23.4
109.02843	12.5
109.06501	39.1
109.10147	23.7
111.04392	4.0
111.08091	5.9
116.14431	1.9
117.07018	12.8
119.08564	27.9
119.71579	1.8
121.06513	9.4
121.10129	19.9
123.04428	3.9
123.08060	7.9
123.11713	2.8
125.09634	2.9
127.03909	23.4
127.07494	2.1
129.06993	7.0
131.08539	16.5
133.06497	3.2
133.10110	22.1
135.08032	7.0
135.11676	18.0
137.09624	5.1
137.89999	1.8
142.07716	2.8
143.08545	3.0
145.06494	3.0
145.10103	18.0
147.08022	5.3
147.11674	16.3
149.09537	10.0
149.13287	11.7
150.62903	2.0
151.11195	2.8
157.10110	4.4
159.08022	4.0
159.11687	9.9
161.09596	3.0
161.13237	5.9
163.11183	20.2
165.12724	5.8
169.10062	4.1
171.11707	3.7
173.09578	2.5
173.11839	2.1
173.13248	6.3
175.11160	4.3
177.12819	3.0
179.14241	3.0
181.12198	2.4
185.13225	3.1
187.11198	3.4
191.14397	3.4
193.12198	3.3
195.13802	2.0
197.13310	2.1
205.15921	2.3
207.13737	2.2
209.98376	2.0
211.14883	1.9
227.12733	18.6
229.19534	4.3
233.15308	2.5
247.20540	8.5
257.18976	6.5
275.20010	66.2
276.20337	3.2
282.44577	1.9
289.03494	3.2
293.21054	3.2
317.21051	2.7
383.22217	3.6
401.23203	2.4
419.24002	10.3
437.25031	21.0
438.28537	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	437.144
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03932	0.7
55.01860	1.1
67.01844	0.3
69.03408	0.3
70.06555	0.6
71.70259	0.6
78.78757	0.3
79.05466	1.4
80.80196	0.3
81.03391	0.7
81.07035	0.5
83.04984	0.3
84.08129	0.7
84.41084	0.3
85.02900	1.8
86.09675	0.5
91.05497	0.7
95.04960	0.8
97.02892	1.0
103.03927	0.7
105.04459	0.3
107.04938	100.0
108.05268	1.8
109.02865	1.0
119.04947	0.5
121.02850	0.7
121.06503	0.6
123.04423	0.9
124.07591	0.7
127.03906	0.6
131.04906	0.9
133.10135	0.3
135.04405	0.4
139.03864	2.1
144.13843	0.5
145.06439	0.3
147.04346	1.8
148.04729	1.2
149.05948	1.6
151.03882	4.6
152.04172	0.3
161.05969	0.4
163.03880	2.3
165.05493	0.9
167.07077	0.4
169.04936	0.9
173.05956	0.7
175.03831	0.6
177.05450	0.4
181.04921	4.8
187.03810	0.5
189.05486	0.8
191.03455	0.4
193.04950	7.7
193.32687	0.3
204.10208	0.5
204.12091	0.3
205.04945	2.7
207.06514	1.5
211.05983	4.4
211.09612	0.5
217.04892	1.0
229.04924	1.4
231.06422	0.4
235.05988	6.4
241.05037	1.1
247.06044	2.9
254.71036	0.3
259.05945	2.6
275.09076	2.4
277.07101	1.3
287.05688	0.5
287.09070	5.2
289.03452	0.9
295.08093	0.4
299.09113	2.7
311.08984	0.3
313.03201	0.4
317.06500	0.6
317.10153	5.5
335.09097	0.9
341.10190	8.3
347.09460	0.3
353.05838	0.5
353.10132	7.8
354.10654	0.5
355.11813	0.4
365.10284	3.5
366.10294	0.4
371.11240	0.5
383.11078	2.0
383.91135	0.4
401.12219	0.9
437.21405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1073
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
52.33930	1.0
70.18153	5.1
72.88438	1.1
81.03427	1.2
85.02885	2.4
97.02876	1.5
98.21402	1.9
108.00211	1.1
109.02857	1.6
110.19349	1.0
127.93050	1.1
135.81627	1.2
150.19867	1.1
205.38274	1.3
228.04118	2.6
229.04379	1.2
232.56757	1.4
233.04335	2.1
242.05820	1.3
243.06372	2.1
244.03641	2.6
245.04375	1.3
254.05363	1.3
256.03693	8.5
259.05933	1.7
266.05560	1.3
270.05197	4.7
271.05966	13.4
272.03140	23.8
272.06146	1.8
273.03799	3.4
274.04697	4.2
275.05411	6.1
282.05124	2.8
284.03064	4.0
284.06598	2.5
285.04193	2.5
285.07532	5.9
287.05466	100.0
288.05899	7.9
294.05118	1.8
298.04642	8.8
299.05542	9.9
301.07108	1.9
302.04123	3.5
309.07523	3.8
310.04626	2.0
311.05414	3.6
312.06274	3.2
313.03430	3.4
313.06931	22.2
315.04858	1.3
317.06528	60.7
318.06891	2.9
322.04797	2.2
325.06921	2.4
327.08551	9.7
337.06952	4.5
341.06534	37.9
342.06723	2.2
353.06567	17.6
355.08051	2.6
365.06601	11.6
371.07660	13.2
383.07480	18.1
384.07837	1.6
401.08670	17.0
402.09164	1.4
419.09848	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	437.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77642	2.1
51.01784	2.7
56.96552	8.4
58.99861	7.1
70.75916	7.6
70.99849	5.7
73.01439	3.0
77.00877	4.8
89.00896	2.8
91.02459	7.8
98.97586	7.0
99.65465	2.2
101.00314	2.3
101.00836	12.1
109.03515	3.8
115.02396	3.7
116.98622	5.9
119.01901	39.9
128.98663	2.6
131.01878	11.4
133.03456	20.1
143.01921	4.0
144.99846	3.7
145.03409	4.1
149.02942	40.2
151.04500	4.1
156.99828	5.5
157.01353	2.2
157.03432	2.4
159.01385	5.8
159.04979	3.8
161.01155	2.3
161.02968	7.4
163.04514	11.5
167.03993	5.4
171.01407	8.8
173.02977	3.3
175.00877	100.0
176.00986	4.0
177.02452	4.6
181.05518	3.5
185.03043	2.9
186.99208	2.6
187.00844	6.1
189.02483	27.5
191.04008	6.6
193.01955	28.9
197.12654	2.3
205.01941	6.0
207.03464	12.8
212.04060	3.0
215.00418	3.5
217.01917	8.5
219.03581	6.1
221.05029	5.5
224.98804	20.0
229.01843	6.9
231.03442	12.1
235.03145	4.2
242.99843	65.6
245.01395	3.6
247.03001	10.9
249.04594	3.6
257.01425	13.2
259.03009	11.2
261.00992	8.8
261.04697	5.3
270.99368	11.5
271.99435	2.7
273.00732	3.0
275.02609	13.9
277.03967	8.5
279.09213	5.4
281.02118	2.7
285.00879	23.0
289.03699	5.0
303.02036	40.2
305.03516	3.6
306.52045	2.5
313.00473	8.4
315.01758	2.3
317.03601	25.1
331.01364	10.8
334.95596	2.6
335.04688	12.9
345.02960	40.0
347.04776	3.8
363.04013	32.0
384.59528	2.5
386.05051	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	436.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	7.6
58.06599	1.6
64.20856	1.8
67.05478	3.3
69.07077	2.4
69.51221	3.8
69.51630	12.5
70.06583	18.5
71.08608	2.5
71.44344	1.3
79.05467	2.8
80.42466	1.4
81.07072	3.5
87.99663	1.3
88.07618	21.3
91.05497	2.7
93.07024	2.0
99.75102	1.3
102.09177	13.1
103.01788	2.8
109.10087	1.7
135.04408	6.2
153.05434	1.9
159.09019	1.6
163.03867	75.9
163.04958	5.8
164.04099	1.9
207.06496	85.3
223.09657	1.6
256.26306	55.3
256.28949	2.9
327.06866	1.5
345.24161	1.8
436.30563	100.0
437.30872	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	436.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57745	0.3
54.33780	0.3
54.43649	0.4
56.05031	2.9
57.07060	1.4
60.08154	20.5
69.35326	3.8
69.35731	0.5
70.06583	0.4
71.07363	14.6
71.08618	0.8
75.64684	0.3
81.03385	0.5
81.07051	0.4
85.10179	0.5
86.09694	92.7
87.10032	1.0
91.05468	0.5
95.02028	0.3
95.08597	0.4
96.77883	0.3
98.20587	0.4
98.64291	0.4
98.97803	0.7
98.98452	13.5
104.10736	2.6
106.83833	0.4
119.08544	0.4
124.93394	0.3
124.99984	84.3
126.00373	0.6
143.01038	1.8
166.02657	0.6
184.07320	30.3
192.78722	0.3
230.28511	0.3
241.40166	0.3
244.59438	0.3
253.21341	0.3
315.41013	0.3
321.22711	0.4
343.40265	0.3
374.96887	0.3
436.35464	100.0
437.35757	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05492	1.7
55.64309	0.9
59.04992	1.4
66.20613	0.9
67.05502	1.6
69.03419	1.4
69.07047	2.6
69.44090	6.2
69.44515	3.0
70.06598	1.3
71.04978	12.5
73.06533	3.5
79.05468	4.0
81.03429	1.2
81.06606	1.3
81.07047	16.7
85.02878	4.2
86.09669	0.9
87.00803	2.1
91.05450	1.8
93.07033	10.9
95.04972	1.1
95.08578	2.0
95.18554	0.9
97.02888	2.0
97.06512	1.2
105.01844	2.8
107.08575	9.2
109.10122	2.4
119.08535	1.6
127.03868	2.0
135.11664	20.8
145.04955	1.0
153.12723	100.0
154.13048	1.6
177.05582	1.2
192.07693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.0
55.01842	6.9
55.05502	9.9
57.03420	7.9
57.06432	4.8
57.07076	5.1
61.02908	6.9
62.39958	4.7
67.05492	10.4
69.03412	37.6
69.07059	38.9
70.06570	8.6
71.04964	26.0
71.28954	12.2
72.08136	7.7
72.49112	5.6
73.02887	10.8
79.05479	16.2
81.03396	36.9
81.07048	34.5
83.04966	6.4
83.08614	10.1
84.04501	16.6
85.02888	92.7
86.09670	7.6
87.00806	48.1
91.05457	10.8
93.07034	30.8
95.04962	6.0
95.08600	12.6
97.02868	63.5
99.04428	13.1
100.11268	5.5
103.03905	8.2
103.05451	6.2
105.01840	56.9
105.07011	14.6
107.08588	27.6
109.02818	16.3
109.06479	12.9
109.10124	13.5
116.01624	5.5
119.08566	23.4
121.06514	10.6
126.05507	6.1
127.03890	62.3
130.04980	14.3
131.04857	6.8
131.08449	7.1
135.08035	5.8
135.11676	39.0
137.13235	5.8
145.04929	24.3
145.10069	6.7
153.12712	100.0
155.08556	6.6
159.02831	14.2
161.09872	7.4
162.02165	23.7
165.12735	17.0
167.07019	6.3
173.09645	11.3
177.12712	12.3
191.10745	7.9
195.13795	14.2
209.08157	5.1
210.14972	8.5
227.91296	5.2
231.04979	10.2
233.15321	7.8
243.13770	13.4
249.06026	9.7
261.14810	11.0
272.12952	10.5
275.71277	5.0
290.14276	13.3
296.44025	5.2
307.16666	5.2
361.17874	8.4
365.15891	8.4
383.16873	10.2
410.12408	5.5
447.78128	5.5
460.97681	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	436.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01313	2.3
55.05484	4.4
56.05038	3.2
57.03420	17.2
61.02895	3.2
62.03615	2.2
69.03400	4.8
69.57587	8.9
69.58011	12.4
70.06573	19.1
71.04981	92.9
72.08135	16.2
73.02876	4.0
73.08437	2.8
75.04457	7.2
81.03400	2.5
83.04957	9.9
84.08116	5.1
85.02380	5.4
85.02886	100.0
85.05273	2.4
86.09679	6.8
97.02865	9.5
103.04009	2.4
105.07017	5.7
109.02849	2.7
110.07177	2.4
111.04431	6.7
120.08071	7.4
124.03927	4.3
129.04575	3.3
129.05455	35.3
130.02542	2.5
133.06442	9.1
137.05954	18.5
145.04922	3.9
147.06471	16.7
151.03859	12.0
156.13860	7.6
163.03845	3.0
164.09120	3.8
165.09105	6.1
183.04449	2.6
183.10028	3.1
204.04196	2.8
215.03325	4.7
223.10551	3.3
229.04951	3.0
231.02789	3.2
231.27794	2.8
241.04848	4.0
242.05225	4.3
243.02837	3.5
256.06760	2.8
257.04440	6.1
257.13809	7.3
258.05051	8.3
259.02390	16.4
259.04947	3.2
261.03934	8.9
269.04318	7.3
270.04828	9.8
271.02451	3.3
271.05679	3.3
272.03217	3.4
273.03955	11.6
274.04346	3.2
277.03439	6.8
284.06265	3.8
285.03912	45.6
286.04211	73.6
287.01749	16.2
287.05032	10.4
288.05081	4.1
289.03375	52.3
289.06598	3.5
297.04086	2.8
298.04190	7.7
299.05365	8.4
300.05792	2.9
301.03555	3.2
303.04968	7.0
305.02890	4.9
305.62631	2.8
308.06317	3.8
311.05307	6.4
312.05737	19.7
313.03250	10.5
315.01331	5.8
315.04868	7.6
316.05255	18.8
317.02841	13.4
317.06100	4.1
326.07312	5.7
326.26910	2.8
327.04865	5.1
336.05585	3.1
339.04849	4.3
340.05182	26.6
340.60718	2.6
341.02808	10.9
341.06439	5.2
343.04272	3.9
352.05258	8.2
353.06091	3.3
355.04404	5.8
359.03683	5.0
364.05258	6.7
370.06253	8.9
373.05527	3.8
382.06238	11.8
400.07077	6.4
401.04678	5.6
418.25479	11.8
419.05191	3.5
419.09961	6.9
436.24640	4.2
437.07889	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	435.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
57.03406	4.4
57.07072	6.8
58.06520	0.6
58.57990	0.7
62.87144	0.6
67.05487	2.6
69.07054	2.2
69.61099	1.0
69.61504	5.3
71.08617	4.0
81.07047	4.3
83.08611	1.8
85.10168	2.4
95.08596	4.7
97.10132	0.8
109.10107	3.3
111.11707	1.6
113.00000	100.0
123.11726	1.1
127.86629	0.6
131.01010	1.3
137.13243	0.9
154.02625	1.1
169.02592	96.2
323.32980	0.9
329.59067	0.6
352.57614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03930	0.9
55.01854	0.5
57.03418	0.3
58.06549	0.2
65.03932	2.4
67.05166	0.2
67.05493	1.1
69.03419	1.6
70.06558	0.8
71.04980	0.4
71.69373	0.3
72.08121	0.5
78.03439	2.9
79.05458	0.2
80.04995	0.5
81.03405	2.5
84.08119	0.4
85.02888	1.8
86.09686	0.4
93.03385	0.8
93.07005	0.2
94.37508	0.2
95.01358	0.2
95.04948	0.9
96.04469	1.0
97.02866	1.2
99.04436	0.7
99.08091	0.4
105.03374	0.3
105.07003	0.2
106.02895	11.3
108.02084	1.7
109.02867	2.6
110.03648	0.4
110.07156	0.4
111.04414	2.5
120.08105	0.3
123.04428	0.3
124.03931	21.6
125.04266	0.4
125.05973	1.2
127.03870	1.6
136.01563	0.4
141.05446	2.8
144.91542	0.2
151.03880	100.0
151.04919	5.2
152.04214	2.5
152.05345	0.3
156.13808	1.3
166.05013	0.5
169.04897	0.8
199.85249	0.2
232.06114	0.3
250.07066	5.1
267.69571	0.2
268.08112	5.4
269.08478	0.2
270.04831	0.2
271.05865	0.4
272.03247	0.3
275.05350	0.2
285.03949	0.8
286.04196	2.1
287.05457	2.5
289.03452	0.4
298.04462	0.4
299.05286	0.3
311.05362	0.2
312.05862	0.5
313.07086	0.3
316.05161	0.4
317.06464	1.3
325.07196	0.2
326.07385	0.2
327.08771	0.3
340.05194	0.6
341.06531	0.5
353.06592	0.4
356.22183	0.2
365.06540	0.2
371.07361	0.5
382.06293	0.3
383.07605	0.5
400.10773	1.2
401.08795	0.4
418.11316	2.0
418.21899	0.4
419.09845	0.3
436.12305	2.4
436.22113	0.4
437.11179	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	435.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
57.03426	4.0
57.07069	7.0
67.05492	2.9
69.07049	1.6
70.40839	1.4
71.08615	4.9
73.91919	0.5
77.15282	0.5
81.07045	3.2
82.57198	0.5
83.08600	1.2
85.10166	2.0
89.07949	0.5
89.23376	0.5
95.08591	2.8
96.90176	0.5
97.10159	1.5
109.10136	2.0
111.11745	0.6
113.00000	100.0
123.11681	1.3
127.03882	2.1
131.01038	1.1
133.16269	0.5
137.20604	0.5
142.21915	0.5
154.02597	0.9
169.02592	84.1
169.37788	0.5
170.02959	0.8
192.30133	0.5
267.26511	0.6
306.08237	0.5
323.32852	0.6
375.24380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02365	0.6
53.03936	3.7
55.01855	2.0
55.05502	14.0
57.03425	3.6
57.07057	1.3
59.04995	2.9
65.03928	3.1
67.05494	100.0
68.05820	1.0
69.03417	1.3
69.07067	6.7
70.06578	0.6
70.06902	3.3
71.04972	3.3
79.05482	39.4
81.03407	5.2
81.07044	30.9
83.04967	6.0
83.08609	8.7
85.02909	0.8
85.06516	3.7
91.05465	33.9
93.07029	27.7
95.04381	1.1
95.04954	10.3
95.05515	0.9
95.08587	15.1
95.27573	0.6
97.02967	0.7
97.06514	1.6
97.10162	1.8
97.74541	0.6
99.08127	0.6
103.05447	0.7
103.62183	0.6
105.04520	1.1
105.07011	19.2
107.04929	3.6
107.08581	9.7
109.06492	3.8
109.10139	58.6
110.10483	1.1
110.44831	0.5
111.08028	2.7
115.05464	0.7
117.06998	5.2
119.08556	14.9
121.06490	1.7
121.10128	2.7
123.08087	3.7
125.09577	1.2
127.11237	0.8
128.06175	1.4
129.06992	8.0
130.07735	0.6
131.08568	3.3
133.06499	1.2
133.10129	6.0
135.11688	1.2
136.08534	0.6
137.09605	2.8
141.07008	0.6
141.09030	0.6
143.08545	3.8
145.06491	0.6
145.10095	5.7
147.08054	1.6
147.11665	18.9
149.09630	0.7
155.03014	0.6
155.10657	1.9
155.11929	0.6
157.10153	0.6
159.11726	1.4
161.09647	2.5
161.13223	6.4
163.11205	0.9
167.08466	0.7
171.11665	15.5
171.13065	1.2
173.11714	15.2
173.13071	0.7
175.11143	0.6
189.12704	5.2
207.13771	16.6
208.14175	0.6
225.14803	2.8
281.17502	1.2
285.03998	0.9
298.20819	0.6
343.22479	0.8
369.20682	1.1
399.21521	2.1
400.21640	0.7
417.22568	2.3
425.86621	0.6
435.27344	43.0
436.27612	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	435.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14236	0.4
65.23709	0.4
67.05508	0.5
69.03414	0.8
70.83701	0.9
76.25847	0.4
76.37342	0.4
81.03379	0.6
85.02883	1.0
91.05512	0.6
93.03381	0.6
95.04919	0.5
99.55920	0.4
101.45324	0.4
105.07014	0.6
106.04102	0.4
107.04923	0.5
109.02856	0.7
113.08460	0.4
118.93977	0.4
119.01923	0.5
121.06467	0.6
127.03896	0.6
137.05936	0.6
145.03543	0.5
149.05946	1.2
161.02893	0.7
167.03131	0.6
167.07021	1.3
175.03764	0.4
177.05457	0.8
181.04973	1.3
186.06442	1.2
187.04517	0.5
187.07280	1.0
208.05785	0.8
209.08170	0.9
219.86751	0.4
221.04681	0.8
226.06882	0.9
227.05225	2.3
250.06935	0.8
271.04245	2.4
285.03873	0.7
334.09003	1.7
349.12485	6.0
373.12479	1.4
391.13562	43.1
392.13879	2.2
435.12564	100.0
436.12952	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	435.0917
Annotation	Isoetin 2'-xyloside
Peak:m/z	Relative Intensity
51.29009	0.2
55.01845	0.4
56.05013	0.3
69.54655	2.1
70.06564	0.4
85.02865	0.7
97.02866	0.4
103.05429	0.3
107.01276	0.5
109.02866	0.5
117.03351	0.4
119.60994	0.2
121.02786	0.4
137.02296	0.3
139.39224	0.3
142.82372	0.3
153.01801	0.6
153.06935	0.3
155.04906	0.8
161.05916	0.3
163.03862	1.1
171.04410	0.3
173.06013	0.4
175.03931	0.3
181.06496	0.5
183.04391	0.4
185.05916	0.4
201.05452	0.4
205.06496	0.7
205.43019	0.3
209.05991	0.6
211.03740	0.4
213.05447	1.7
215.03569	0.3
223.07523	0.3
227.06944	0.4
229.04948	1.2
231.02763	0.6
233.05858	0.4
237.05403	0.9
239.03374	0.5
240.04077	0.5
241.04913	6.4
243.02846	0.5
244.03561	0.5
253.05229	0.3
255.06491	1.7
257.04407	2.1
258.05338	1.6
259.06027	0.6
261.05405	0.7
265.04941	0.7
269.04419	8.5
270.05057	0.6
273.03879	1.9
279.06595	1.4
281.04465	0.6
282.05182	0.5
283.06088	1.9
285.03900	100.0
286.04324	5.2
287.05481	2.2
295.06021	0.3
296.06790	0.4
297.03928	8.2
297.07312	0.4
298.04532	0.4
299.02051	0.5
299.05548	1.6
303.04904	0.3
307.05975	3.4
309.03940	0.8
310.04697	1.0
311.05457	24.8
312.05829	0.8
315.04947	19.2
316.05450	0.6
323.05359	1.9
325.03296	0.6
325.07025	7.8
327.04959	0.4
335.05554	2.5
337.06952	0.7
339.04953	25.7
340.05212	0.8
351.04980	8.0
353.06412	2.2
363.04910	5.9
364.05319	0.3
369.01639	0.6
369.06027	7.9
369.10654	0.4
381.01166	0.7
381.06006	13.3
382.06320	0.7
399.07095	7.8
400.07587	0.3
405.10748	0.3
417.07971	1.0
452.31308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03429	0.7
64.53432	0.3
69.55208	0.3
69.68555	1.7
69.68974	0.7
70.06570	0.7
76.46592	0.3
79.98937	0.3
81.03407	0.3
85.02885	1.0
86.09686	0.7
97.02832	0.4
103.05441	1.0
107.01305	0.4
115.05465	0.6
119.04848	0.3
120.08078	0.6
131.04890	1.8
132.05246	1.2
137.02312	0.3
137.05966	0.6
146.58215	0.3
153.01875	0.7
155.04880	0.9
161.05968	0.5
163.03914	1.4
163.07484	1.3
164.07898	1.3
178.46552	0.3
181.06372	0.4
181.08586	0.4
183.04372	0.4
186.18860	0.3
187.03990	0.3
195.04332	0.5
203.03357	0.7
205.06400	0.9
209.06007	0.7
213.05440	1.4
223.03992	0.5
227.06944	0.5
229.04997	1.1
231.02721	0.3
237.05467	0.7
241.04900	6.6
242.04962	0.3
244.03780	0.4
251.07057	0.4
255.06517	1.8
255.12187	0.7
256.12576	0.7
257.04443	2.5
258.05130	1.6
259.05884	0.6
261.05557	0.4
265.04962	0.6
267.02811	0.4
269.04401	9.2
270.04877	0.7
271.06024	0.3
273.03879	1.7
279.06461	1.7
279.09128	0.3
283.06018	2.4
285.03891	100.0
286.04288	4.4
287.05423	2.1
297.03857	8.3
297.07233	0.7
299.02048	0.6
299.05447	1.8
303.04953	0.4
307.05908	3.8
309.03882	0.7
310.04626	0.6
311.05429	22.7
312.05731	1.0
313.03464	0.3
315.04950	16.7
316.05493	0.4
323.05380	1.5
325.07034	6.2
333.04190	0.4
335.05511	2.7
337.03116	0.4
337.07031	0.6
339.04944	22.5
340.05209	0.9
340.09106	0.4
351.04910	6.6
351.08875	0.6
353.06345	1.8
363.04935	5.2
369.06012	7.5
381.01114	0.6
381.06012	11.4
382.06223	0.6
399.07031	7.7
400.07394	0.4
417.07803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	8.5
57.03411	4.5
58.99837	4.0
70.33987	17.5
81.04518	8.7
84.04486	4.6
85.02900	11.5
92.11534	3.9
97.01360	4.5
97.02878	8.5
98.97587	7.3
101.00864	38.3
110.97591	5.0
113.00856	8.6
115.02418	22.2
116.98630	5.4
117.03995	4.0
119.01909	100.0
122.07145	13.6
123.07441	5.0
127.02354	5.5
127.03954	4.2
129.00339	4.9
130.93301	13.7
131.01883	25.2
133.03444	64.1
137.02904	11.0
140.08160	18.1
141.01360	8.2
141.08539	5.5
143.01903	42.2
144.99800	10.0
145.03432	30.4
147.01408	9.1
149.00334	4.6
149.02960	10.9
151.04466	7.2
152.06989	3.7
153.01468	4.3
155.01884	11.7
157.03409	5.8
159.01382	17.0
159.04950	5.3
161.02943	64.9
163.04451	8.8
166.00275	5.8
168.99843	26.8
171.01349	20.7
171.05026	8.0
172.94366	15.8
172.99380	5.9
173.02908	25.4
175.00905	12.1
175.04515	5.5
177.02444	15.7
185.02930	12.9
187.00848	46.9
187.04498	10.5
189.02393	29.1
190.95389	18.4
191.03999	21.2
194.01746	4.8
195.01398	4.9
197.02960	10.5
199.00844	23.1
199.04498	5.2
201.02486	19.9
201.84351	4.4
203.00299	13.5
203.03938	12.5
204.96970	4.9
205.02124	5.0
207.03447	8.4
207.35806	4.3
208.96487	7.2
211.01009	4.3
213.02469	12.3
215.00381	17.7
215.04169	5.0
217.01933	51.2
219.03516	15.3
221.01472	6.1
221.05072	8.7
227.00391	8.6
229.01663	12.2
231.03410	27.5
232.96391	10.3
233.01428	26.2
242.99716	5.3
243.03239	11.1
245.01486	6.9
245.04968	6.4
247.02954	30.7
250.97621	7.0
251.02539	35.7
251.33731	5.1
259.03052	15.7
261.08258	8.9
265.04025	14.7
271.02737	8.2
273.00742	8.3
275.02469	30.3
277.04172	5.1
279.05844	5.5
279.09146	6.7
282.99283	5.3
289.04025	33.7
289.07349	6.4
299.02454	5.6
301.00491	7.7
302.13525	6.6
303.01465	5.3
303.13779	15.4
305.03586	12.0
307.05087	38.5
307.08353	6.0
308.05713	4.1
311.02640	4.6
315.01895	16.9
316.05548	4.8
317.03403	9.8
318.96301	10.2
319.01498	5.7
329.03384	5.0
331.01334	8.9
333.02808	12.9
342.96497	11.1
343.01566	15.1
345.02969	14.8
347.04642	10.8
359.04483	10.5
360.97604	14.5
361.02545	47.0
362.02884	4.6
363.03873	10.2
373.02542	8.1
375.04440	21.7
377.05441	8.0
387.03998	7.3
393.04874	13.2
403.03821	9.4
405.04840	7.8
421.04224	6.4
433.74393	4.6
435.07211	76.6
435.17557	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03427	2.8
68.99779	0.6
69.03416	1.1
70.06580	1.4
70.95370	2.0
72.08147	0.6
75.04463	1.5
78.33250	0.5
79.86887	0.5
81.03384	1.3
85.02898	4.4
86.09676	1.4
91.05473	1.3
93.07022	0.7
97.02842	1.3
98.21227	0.6
103.03922	1.2
103.05444	8.8
107.01273	0.8
107.04945	0.8
109.02897	0.9
109.06477	0.7
110.03658	0.9
110.05213	0.5
119.04920	2.4
120.08144	0.7
120.78608	0.6
121.06490	1.0
122.01896	0.6
123.04395	2.9
127.03910	1.0
131.04904	25.7
131.05901	1.4
132.05266	0.7
133.06502	0.6
137.05936	4.6
138.06744	3.5
145.06416	0.7
147.04416	0.7
148.05193	1.7
148.60367	0.6
151.07516	1.7
153.01846	0.6
155.04916	1.0
161.05896	1.7
163.03790	1.3
163.07515	18.6
164.07819	0.7
166.06203	4.8
166.94391	0.6
173.05862	0.8
179.06987	2.0
180.07796	0.6
181.08566	8.4
204.77681	0.8
205.06372	0.7
209.05960	0.7
213.05569	1.3
229.04906	1.5
237.05486	1.4
237.11235	3.9
241.04890	5.9
244.03716	0.6
250.65831	0.7
255.06451	2.1
255.12231	14.4
257.04367	2.0
258.05179	1.9
259.05978	0.7
261.30173	0.7
265.04803	0.9
269.04385	7.3
270.05255	0.7
273.03879	3.4
279.06482	1.8
281.04321	1.1
282.04883	0.7
283.05927	3.1
285.03888	100.0
286.04654	1.4
287.05429	2.7
297.03870	7.9
299.05515	2.2
303.04953	1.2
307.05994	3.6
309.03922	1.0
310.04651	0.8
311.05438	22.5
315.04956	16.6
323.05444	2.8
325.07007	5.3
333.04126	1.0
335.05359	2.3
339.04926	25.6
351.04980	6.9
353.06378	1.8
362.04105	0.9
363.04947	5.1
369.05997	9.5
381.05939	11.9
399.07034	9.3
416.23740	1.0
417.08136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09428	4.3
55.01846	8.5
55.05504	54.8
65.03932	6.0
67.05495	89.0
69.03437	5.6
69.07059	45.5
71.04964	5.8
71.14439	5.5
71.14771	11.1
74.01904	4.1
75.95937	4.7
79.05484	88.3
81.07043	95.3
83.04972	14.9
83.08609	33.5
85.06535	16.4
91.05460	100.0
93.07034	85.1
95.04947	16.9
95.08595	48.5
97.06509	16.0
97.10159	10.3
99.08056	6.9
103.05455	10.7
105.07015	80.4
107.04933	11.6
107.08594	30.9
109.06490	12.5
109.10159	26.3
111.08070	15.1
115.05457	8.4
117.07001	63.4
119.08578	48.5
121.06463	10.7
121.10111	26.1
123.08054	13.9
125.09632	8.3
128.06189	13.6
129.06995	73.4
130.07716	5.0
131.08536	92.3
133.06467	14.9
133.10077	23.1
135.08014	6.5
135.11678	15.2
139.11137	5.7
141.06972	24.7
142.07759	6.7
143.08534	52.3
145.06464	14.5
145.10100	38.5
147.08006	13.5
147.11679	14.3
149.09518	10.8
149.13202	8.2
153.06902	7.7
155.08521	50.7
157.06453	7.3
157.08788	5.5
157.10071	33.9
159.08006	8.8
159.11678	29.5
161.09602	7.3
163.11189	5.8
167.08513	17.4
169.10159	26.3
171.11673	21.2
173.09596	5.7
173.13220	6.6
175.11092	10.3
177.09108	5.6
177.12695	12.6
179.08572	6.1
181.10088	20.4
183.11711	20.1
185.09636	6.0
185.13199	16.4
187.11160	10.1
193.09933	7.1
195.11708	23.0
197.13202	18.0
199.11107	6.2
199.14714	6.4
203.14381	5.7
207.11719	10.6
209.13272	14.9
213.12653	5.9
221.13277	23.3
222.43523	5.1
223.14755	21.8
225.12749	8.0
233.13211	9.1
235.14810	12.8
239.14319	12.6
241.15974	7.3
247.16992	11.1
247.57434	4.6
253.15906	6.5
257.15372	7.6
271.16898	16.7
273.18488	5.9
285.18558	6.9
323.23602	12.0
333.22238	27.4
341.24829	12.8
351.23080	53.1
355.26477	7.6
369.24173	25.9
383.25739	14.4
401.26938	38.4
415.28320	9.3
433.29874	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	433.1123
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01852	1.9
55.48831	1.0
57.03424	2.5
61.02910	1.8
62.47108	1.1
62.49590	0.9
65.03922	2.1
67.01826	1.1
68.99772	4.2
69.03381	1.7
70.87426	3.9
79.01852	1.8
81.03384	2.7
82.72161	1.1
85.02865	3.2
91.05466	3.8
95.04945	2.1
103.03882	1.8
109.02824	1.8
111.04424	3.0
119.04927	11.4
121.02843	69.5
122.03161	1.5
123.04438	3.5
125.41081	1.0
135.04419	1.1
136.46941	1.1
139.03874	2.3
141.01747	1.6
145.02826	3.0
147.04370	1.7
149.02380	1.4
151.03838	1.6
153.01775	7.8
163.03868	18.3
165.01801	20.0
167.03360	3.3
169.43871	1.0
177.01811	6.6
179.03413	2.0
181.04900	1.7
183.02844	8.7
187.03929	2.0
189.01830	1.5
189.05469	1.2
191.03329	9.9
193.04918	3.1
195.02832	4.6
198.56160	1.1
205.04926	8.2
207.02826	1.8
209.04477	1.1
213.05540	2.3
215.03366	1.4
217.04846	5.2
219.02853	17.8
231.02759	2.7
235.06018	1.6
238.06433	1.0
239.07098	1.1
241.04932	1.5
243.02650	1.5
249.03935	7.3
250.90628	1.0
255.06555	4.4
256.07275	7.9
259.05951	2.3
261.03925	7.5
267.06400	5.5
267.24777	1.1
270.05093	3.0
271.05933	7.3
279.04861	3.9
281.08127	3.9
283.05951	90.1
284.06705	29.7
285.07355	4.0
295.05960	23.8
295.09320	2.4
297.06146	8.8
297.07285	8.7
307.06094	2.5
308.06787	2.7
309.07458	13.5
311.05679	1.8
311.49020	1.2
313.07001	100.0
314.07330	4.6
321.07410	1.8
323.05624	1.7
323.09021	14.5
325.06992	4.5
333.07394	1.3
337.06995	35.8
338.07455	1.4
343.08069	4.7
349.06940	6.7
351.08591	5.0
355.08069	3.7
361.06992	5.1
367.08054	31.7
368.08447	2.0
379.07962	19.0
397.09125	32.6
398.09537	1.7
415.10168	45.1
416.09824	2.5
433.11206	60.9
434.11490	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01878	1.8
55.05508	0.8
55.46783	0.6
57.03434	0.8
65.03926	1.4
67.05511	0.8
69.03428	1.1
69.40065	7.0
70.06573	1.5
71.04977	1.3
79.01836	1.5
79.05502	1.2
81.03416	1.6
81.07027	0.9
84.66574	0.6
85.02900	3.2
86.09689	1.1
91.05473	2.5
93.03427	0.6
95.04964	1.2
97.02841	1.3
105.03375	0.7
105.06990	0.9
107.04921	1.1
107.08573	1.0
109.02862	1.6
119.04949	3.4
120.08082	0.8
121.02848	14.9
121.10159	0.8
123.04362	0.8
131.04935	1.5
133.06544	0.8
135.04359	1.0
137.05980	1.0
141.01752	1.5
145.02800	4.0
147.04358	1.4
149.02400	1.0
149.06006	0.8
151.03876	0.7
153.01805	0.8
156.13980	0.9
163.03822	3.6
165.01816	8.7
165.05469	0.9
167.03418	2.7
167.07059	1.0
177.01700	1.0
177.05351	0.8
179.03378	1.2
181.04933	6.8
183.02838	4.9
187.03908	1.3
189.01891	1.2
191.03351	1.1
191.37402	0.7
195.02905	1.2
199.03780	0.7
204.00893	0.8
205.04918	1.7
213.05438	3.6
217.04958	2.4
227.07097	1.2
228.07944	0.7
229.04887	0.9
239.06856	0.8
243.02966	1.2
243.06424	1.5
255.06502	4.0
256.07220	6.0
259.06036	1.5
261.03879	2.1
267.06491	5.3
270.05206	1.9
271.05997	7.7
273.03925	1.1
281.08044	5.0
283.05975	100.0
284.06726	25.2
285.07361	2.4
287.05478	1.2
295.06052	13.9
295.09293	1.7
297.07562	13.1
305.08072	2.0
307.05997	1.8
308.06705	2.7
309.04053	1.8
309.07510	13.3
311.05423	1.9
313.07013	78.6
314.07382	1.7
321.07483	2.1
323.05511	1.9
323.09073	17.7
324.09424	1.0
325.07040	4.5
327.08383	1.3
333.07529	2.4
337.07031	33.2
338.07498	1.7
343.08066	3.7
349.07123	7.6
351.08597	5.1
355.07788	1.3
361.06998	5.4
367.08047	21.7
369.45108	0.9
379.03214	0.7
379.08032	16.7
397.09109	29.3
411.03738	0.9
415.10193	32.7
416.10226	1.8
433.11194	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01846	0.1
55.05488	0.1
58.50368	0.1
67.01854	0.4
67.05504	0.1
68.99790	0.5
70.06567	0.2
70.83585	0.1
71.70190	0.2
79.05465	0.2
80.65430	0.1
81.07023	0.2
84.08129	0.1
85.02909	0.2
86.09692	0.2
91.05471	0.4
97.02863	0.1
103.05406	0.2
119.04929	1.8
121.02852	0.9
129.01811	0.2
131.04956	0.2
145.02847	0.6
153.01817	4.5
163.03880	0.6
165.01807	0.2
171.02872	0.5
206.72435	0.1
213.08826	0.1
225.05399	0.3
229.04950	0.3
243.06454	0.2
247.06136	0.1
270.05042	0.2
271.05978	100.0
272.06320	3.8
273.03665	0.2
283.05966	2.0
284.06702	0.4
295.05991	0.3
297.07370	0.1
309.07538	0.3
313.07074	1.8
323.09222	0.3
337.06857	0.6
349.07016	0.2
361.07010	0.3
362.77136	0.1
367.08240	0.3
379.08063	0.4
397.09061	0.5
415.10184	0.4
433.11353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1121
Annotation	Vitexin
Peak:m/z	Relative Intensity
68.99793	2.0
69.92405	7.1
79.01850	2.0
81.03393	1.7
83.72343	1.3
85.02882	1.9
90.56990	1.1
95.05002	1.6
97.02908	1.8
109.02863	1.2
110.88452	1.3
119.04921	4.5
121.02869	17.0
124.64375	1.3
130.29243	1.2
131.04909	1.3
145.02823	4.7
163.03859	4.0
165.01828	12.3
167.03365	2.8
177.01782	1.8
177.05449	1.2
183.02850	6.2
187.03908	1.7
191.03287	1.5
211.07677	1.7
213.05484	4.0
229.04938	1.8
233.04639	1.9
233.59511	1.5
234.60329	1.1
243.02928	2.1
243.06631	2.1
255.06557	6.0
256.07266	6.9
259.05981	1.7
261.03934	2.8
267.06494	6.1
270.05151	4.3
271.05966	5.3
279.06360	1.6
281.08054	4.5
283.05972	100.0
284.06720	29.1
285.07526	2.5
295.06024	16.5
295.09381	2.2
297.04385	2.3
297.07507	11.7
305.08020	2.5
307.06168	1.9
308.06833	4.1
309.07568	14.2
311.05539	1.7
313.07025	79.3
314.07199	2.0
321.07523	2.7
323.05353	2.3
323.09030	21.0
325.07065	3.2
333.07510	2.3
337.07028	28.5
343.07968	3.0
349.07217	8.9
351.08713	3.8
358.17532	1.2
361.07004	5.6
367.08032	18.9
379.08105	13.2
397.09076	24.0
415.10098	27.7
416.10431	2.2
433.11246	28.8
434.11670	1.8
444.18835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	24.6
56.91277	7.7
61.02909	11.3
67.05486	33.1
69.03416	18.7
69.07045	15.3
70.06566	16.5
71.70313	15.6
79.05467	29.0
81.03412	15.5
81.07037	100.0
83.08604	10.1
84.08152	10.1
85.02890	21.3
91.05463	23.4
93.07053	41.1
95.04951	9.2
95.08589	45.9
97.06470	8.9
105.07011	42.2
107.08579	31.8
109.10153	30.0
117.06995	6.9
119.08518	42.7
121.06468	8.0
121.10107	19.5
123.11706	32.6
125.09673	9.6
131.08565	11.0
133.10126	24.9
135.08066	8.9
135.11676	21.7
137.05936	7.9
145.10196	12.5
147.11699	21.5
157.10129	8.7
159.11639	10.8
160.78151	6.8
161.13235	30.5
189.16345	65.7
217.15906	13.7
235.16885	53.0
259.09628	12.6
283.05817	27.0
313.06979	24.2
342.72025	8.2
373.13733	11.5
432.79257	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	432.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01848	5.5
55.05504	73.6
57.03407	2.6
58.99576	11.8
65.03911	3.2
67.05497	50.6
69.03411	11.3
69.07050	18.8
70.06565	7.9
71.04966	4.1
71.54256	4.6
72.08137	5.3
76.02217	33.4
79.05479	41.1
81.03368	3.3
81.07043	63.9
82.06496	2.1
83.04955	10.7
83.08604	40.7
84.08115	5.5
85.02877	5.7
85.06545	3.7
86.09695	3.6
86.99019	6.1
88.03962	2.9
91.05454	20.0
93.07034	19.2
95.04952	6.3
95.08584	11.8
97.10156	81.7
97.13267	2.0
103.05425	5.0
105.00084	8.6
105.03367	2.3
105.07006	16.8
107.04897	5.1
107.08576	46.5
108.08912	3.7
109.06490	3.3
109.10127	6.8
111.08050	3.1
117.07014	5.6
119.08546	7.8
121.02839	6.2
121.10108	8.5
122.02706	100.0
123.11689	20.9
125.09611	64.8
129.10222	2.3
131.04901	8.5
131.08540	7.9
133.10089	7.3
135.08031	7.9
135.11661	3.3
137.06007	3.0
143.08539	2.4
143.10620	4.4
145.10081	10.7
147.11679	7.4
149.09604	3.4
153.09045	4.4
157.10098	2.4
158.16925	1.9
159.11639	3.9
161.06020	2.3
161.13243	2.3
167.07024	2.5
171.10161	2.2
173.11592	2.2
181.04951	11.4
181.12276	2.6
183.11681	3.4
189.11205	75.4
190.11385	2.2
195.13640	3.0
209.15198	3.5
225.10208	3.0
239.17926	6.0
240.10138	2.6
246.11560	9.8
249.18422	4.4
257.04776	2.1
257.19064	10.8
267.19598	2.7
271.05853	3.2
271.10880	10.1
274.11096	2.6
275.20016	55.5
281.08078	2.2
283.05981	13.2
284.06842	2.4
288.10495	8.8
293.20996	20.9
295.05954	3.0
301.07056	2.7
309.07474	4.3
311.22092	7.3
313.07101	13.6
323.09308	3.4
337.07071	5.8
367.07932	3.8
379.07974	2.8
397.09283	3.6
403.14011	3.1
415.09869	3.7
432.24127	14.8
433.10938	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	431.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
55.01878	15.4
55.05234	5.2
55.05503	94.8
57.03424	6.4
60.11988	3.4
61.70303	3.2
67.05497	62.6
69.03412	5.5
69.07062	20.3
69.49655	32.5
71.28792	2.6
79.05479	69.1
81.03414	3.6
81.06604	5.1
81.07046	58.7
83.04962	8.2
83.08610	35.8
85.06535	3.7
91.05463	29.1
93.07036	30.0
95.04962	5.4
95.08591	17.7
97.02855	3.9
97.06534	3.7
97.10153	76.1
98.99276	3.0
103.05423	18.9
105.07013	15.8
107.04968	3.3
107.08579	54.4
109.06502	4.6
109.10131	16.7
111.08053	5.5
113.00001	41.6
115.05466	7.2
117.07001	30.1
119.08573	10.8
121.10148	5.2
125.09614	100.0
128.06219	6.6
129.06981	26.5
131.04947	8.8
131.08553	18.4
133.06445	5.7
133.10127	8.2
135.08051	27.6
141.06999	8.6
143.08556	12.9
145.06479	10.1
145.10112	9.5
147.08052	4.3
149.09589	5.6
153.09094	22.0
155.08542	8.1
157.06503	6.1
157.10083	7.2
157.12244	10.3
159.11742	3.6
167.08589	4.3
168.09326	3.5
169.02586	36.8
169.10097	8.7
171.10191	6.4
171.11659	6.6
180.09221	4.2
181.10190	3.7
183.11627	5.7
185.13283	6.6
187.14772	3.8
195.11671	7.1
197.13217	8.8
203.12761	71.0
209.13307	5.3
213.12714	7.6
215.14278	51.8
216.14746	3.9
221.13322	4.8
241.12274	5.5
247.16872	7.7
257.15219	4.6
273.14893	12.8
321.22153	3.7
349.21616	27.7
353.24667	3.6
357.27835	4.3
367.22540	48.2
368.23276	4.3
381.24091	18.1
399.25296	91.1
400.25562	5.5
431.27740	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01860	6.3
55.05507	20.6
57.03429	23.6
57.07063	3.9
58.12129	2.3
58.42987	2.1
61.02921	29.1
65.03925	2.7
67.05136	4.0
67.05495	60.0
69.03419	28.2
69.07065	21.8
70.06563	4.8
71.01353	2.6
71.04987	8.7
71.70535	2.0
71.70908	2.8
73.02911	14.1
79.05481	40.4
81.03399	28.5
81.07045	89.9
83.04976	27.6
83.08610	13.4
84.08132	2.1
85.02896	35.8
85.06517	7.3
87.04457	3.3
91.03930	16.3
91.05465	30.8
93.07033	58.3
94.07309	2.4
95.04942	10.6
95.08595	30.0
97.02879	31.1
97.06507	12.1
97.10130	2.7
98.98483	2.8
99.04440	10.5
99.08067	5.5
101.02368	8.6
103.03941	4.9
105.07008	16.8
107.04954	6.9
107.08582	34.9
109.02870	10.1
109.06516	5.9
109.10141	8.6
111.04408	6.3
111.08062	6.8
112.57655	2.0
115.03936	3.5
117.07002	12.4
119.08583	12.6
121.06492	4.6
121.10157	16.9
123.08072	2.6
123.11706	4.6
125.09632	2.4
125.21902	2.2
127.03892	17.8
129.05475	11.8
129.06967	4.3
131.08559	14.4
133.10097	17.2
135.08063	2.8
135.11678	16.3
137.09576	2.7
143.08577	2.7
143.34984	2.4
145.04935	4.6
145.10133	3.6
147.11687	7.5
149.09602	2.3
149.13234	47.2
152.63928	2.0
159.06584	2.7
159.07971	2.5
159.11685	31.5
161.13286	2.5
165.12631	4.3
169.09956	2.6
171.11673	4.2
173.13264	2.5
177.12724	17.7
179.14247	4.3
183.06506	3.0
186.87106	2.3
195.13797	33.4
195.46216	2.2
201.07602	3.4
213.14850	3.9
223.15018	2.4
269.17438	100.0
270.17776	3.5
303.15820	2.6
311.18326	4.4
339.17764	2.8
413.21637	8.8
431.22806	4.7
431.27838	7.5
431.36523	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	431.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01863	8.2
55.05508	22.7
57.03429	34.9
57.07071	3.2
58.40276	2.4
61.02924	37.6
65.03934	3.3
67.05497	70.2
67.26569	2.7
69.03421	38.2
69.07063	22.3
70.06581	2.8
71.01337	6.9
71.04980	10.7
71.31604	5.9
73.02909	18.8
79.05486	37.6
81.03412	30.6
81.07045	99.1
83.04969	30.8
83.08624	17.4
85.02890	40.4
85.06529	7.0
91.03944	18.5
91.05464	36.9
93.07034	66.7
95.04958	11.7
95.08590	26.4
97.02879	30.6
97.06498	11.6
97.10153	3.1
99.04443	9.9
99.08064	4.9
101.02372	7.9
103.03928	7.3
103.71892	2.7
105.07010	19.5
107.04959	2.8
107.08569	29.7
109.02879	10.1
109.06499	7.2
109.10166	9.1
111.04429	8.3
111.08056	5.8
115.03930	3.0
115.05447	2.8
117.07005	14.0
119.08572	14.2
121.06500	6.0
121.10131	21.5
123.04421	2.5
123.11706	4.6
123.36825	2.5
127.03891	17.7
127.64204	2.4
129.05476	15.6
129.06984	4.1
131.04980	3.1
131.08560	16.9
133.06468	3.4
133.10103	17.0
135.07979	3.9
135.11676	16.2
141.06996	2.6
143.08539	4.8
145.04933	4.5
145.06488	3.2
145.10092	7.1
145.11266	2.3
147.11659	8.4
149.13246	49.0
156.13919	2.9
157.10062	5.7
159.11681	23.8
161.13249	5.1
164.56113	2.5
165.12679	4.8
167.07021	3.5
171.11671	5.3
173.09628	2.4
173.13266	4.0
177.12752	20.6
183.06612	5.3
195.13788	42.4
213.14806	4.9
234.95988	2.6
251.16429	3.5
269.17450	100.0
270.17972	4.1
271.16888	2.7
277.21454	3.4
297.16873	3.3
329.06265	4.6
339.17905	4.3
339.22839	3.1
357.05762	3.0
395.20908	3.4
395.29346	2.8
401.08643	24.2
413.21570	12.2
431.13483	25.1
431.22205	4.5
431.27426	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	431.2267
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
53.03929	7.2
53.97373	2.1
54.63160	2.5
55.01852	6.2
55.05281	2.0
55.05507	18.8
57.03427	27.1
57.07066	2.8
61.02923	29.1
67.05496	50.1
69.03425	29.8
69.07056	25.8
69.89456	17.2
71.04970	9.5
73.02896	15.0
79.05482	30.5
81.03401	32.1
81.07043	82.9
83.04971	26.3
83.08607	15.3
85.02887	32.9
85.06517	4.8
91.03938	20.0
91.05469	24.8
93.07025	59.0
95.04949	9.9
95.08614	21.8
97.02869	23.4
97.06491	8.9
98.20765	4.2
99.04441	10.5
99.08088	3.0
101.02365	6.7
103.03915	6.0
105.07006	10.0
107.04928	5.0
107.08577	24.3
109.02869	8.2
109.06461	5.9
109.10110	3.2
110.81703	2.4
111.04427	5.6
111.08064	9.3
117.06981	10.2
119.08543	5.2
121.06497	3.6
121.10124	17.3
123.11721	2.9
125.09611	2.8
127.03876	17.4
129.05435	9.3
129.06960	3.5
131.08536	7.7
133.10085	12.8
135.08018	3.0
135.11671	12.5
145.04932	6.2
147.11604	5.1
149.13251	37.8
159.11656	22.9
165.12801	3.6
175.85292	3.1
177.12689	22.8
182.44708	2.5
195.13765	35.7
211.03899	2.6
212.13579	2.9
213.14812	3.5
219.13872	3.7
251.16386	3.2
269.17447	100.0
270.17740	7.5
297.17117	3.4
311.64554	2.6
398.19809	2.9
413.21371	8.6
431.22794	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	431.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.9
55.01855	6.4
55.05505	20.1
57.03424	28.7
57.07060	3.5
61.02917	61.1
65.66286	2.6
67.05142	4.2
67.05492	72.5
69.03419	31.6
69.07056	25.5
70.05005	14.4
70.06566	5.4
71.01323	4.7
71.04966	7.7
73.02901	30.0
75.04411	2.1
75.19669	2.1
77.23782	2.5
79.05023	2.8
79.05477	39.8
81.03407	29.7
81.07047	100.0
81.15385	2.3
82.65544	2.4
83.04958	16.0
83.08608	17.5
85.02887	59.7
85.06523	7.1
86.09664	3.1
91.03944	33.2
91.05448	25.8
93.07030	69.6
95.04937	10.7
95.08586	25.5
97.02322	4.0
97.02884	47.6
97.06521	13.9
99.04440	13.9
99.08058	7.1
101.02354	14.2
103.03898	5.2
105.07000	10.3
107.08575	33.2
109.02873	17.1
109.06517	5.0
109.10139	2.5
111.04444	2.4
111.08028	12.9
114.79261	2.3
115.03920	6.3
116.75365	2.5
117.07005	11.0
119.08552	6.9
121.10117	25.1
123.04410	2.5
123.11691	3.3
127.03892	27.6
129.05435	6.3
131.04921	3.4
131.08589	13.7
133.10152	11.4
135.07996	3.3
135.11690	14.0
145.04927	9.9
147.11668	3.1
149.13229	68.6
150.13573	2.8
156.13791	5.7
159.06583	3.0
159.11665	29.7
177.12701	20.6
181.04843	2.4
183.06490	5.5
194.87976	2.7
195.12093	4.4
195.13771	50.5
201.07629	3.3
201.84152	2.2
205.08324	2.2
213.14890	8.2
242.20717	2.2
269.17450	93.2
270.17813	6.4
297.16785	5.3
311.18481	6.1
377.19434	3.3
413.21585	6.0
431.23007	7.8
431.30081	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	431.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01855	6.4
55.05501	26.1
57.03429	20.7
61.02908	12.1
64.58092	2.5
67.05493	64.5
69.03419	27.0
69.07052	19.7
70.06591	6.5
70.17292	7.4
70.17709	7.8
71.04975	9.6
73.02896	7.5
79.05486	39.8
81.03416	38.0
81.07043	80.3
83.04970	40.0
83.08611	13.7
85.02888	23.5
85.06541	5.8
91.03951	8.0
91.05444	26.7
93.07031	55.7
95.04967	12.3
95.08583	25.5
96.84662	2.6
97.02881	25.3
97.06508	11.7
97.10120	3.6
99.04431	4.3
99.08056	3.2
101.02367	6.9
103.03925	12.0
103.05423	2.7
105.07010	22.4
107.04929	6.0
107.08583	27.4
109.02866	11.0
109.06494	8.3
109.10169	6.4
111.04427	9.5
111.08071	8.4
113.05920	3.1
117.07000	10.7
119.08552	14.6
121.06504	3.1
121.10104	15.4
123.11665	4.3
124.71499	3.1
125.09621	3.4
127.03894	13.9
129.05453	24.3
129.07013	4.9
130.80833	3.0
131.08549	15.3
133.10100	19.4
135.07997	4.1
135.11705	13.4
137.05974	3.8
143.08482	4.6
145.04984	3.6
145.06453	2.8
145.10074	4.0
147.08186	2.9
147.11688	12.5
149.09619	4.0
149.13263	34.2
157.10107	4.9
158.52652	2.7
159.11662	28.9
161.05905	2.8
161.13240	9.1
165.12650	2.7
169.10196	2.7
177.12727	23.7
179.14253	4.7
183.06548	6.6
183.11670	3.5
193.12299	3.7
195.13756	15.6
201.05472	2.9
213.14894	3.2
219.13866	3.3
256.13876	2.4
269.17435	100.0
270.17798	3.5
275.16333	4.3
297.16931	3.7
303.15826	4.0
323.18268	3.0
339.23230	3.6
371.77496	3.0
372.82739	3.0
377.19376	4.2
401.16907	3.1
413.21603	5.2
413.30161	2.9
431.28049	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	431.2272
Annotation	Dendroside F
Peak:m/z	Relative Intensity
50.57688	1.8
52.97512	2.0
53.03936	9.2
55.01857	7.5
55.05507	23.6
57.03423	29.5
61.02919	54.2
65.03922	3.4
65.84327	2.0
67.05495	64.0
68.05833	2.2
69.03419	36.9
69.07059	25.6
70.06600	2.2
71.01344	3.5
71.04977	7.5
73.02910	21.9
75.04469	2.2
79.05482	40.0
81.03404	34.6
81.07045	100.0
82.07394	2.1
83.04961	22.5
83.08616	18.8
84.04476	2.3
85.02892	54.2
85.06538	5.5
87.04446	3.7
91.03943	34.9
91.05456	28.5
93.07030	56.9
95.04948	10.1
95.08595	28.6
97.02875	50.9
97.06509	10.7
97.10180	2.5
99.04445	12.9
99.08081	4.4
101.02351	12.4
103.03922	8.0
105.07024	16.5
107.04968	4.4
107.08578	31.6
109.02847	13.6
109.06501	5.4
109.10149	7.9
111.04405	6.9
111.08057	7.7
115.03922	4.4
117.06995	12.6
119.08553	8.3
121.06493	4.1
121.10117	21.7
123.08027	4.5
123.11694	7.6
127.03893	24.9
128.04305	1.9
129.05492	11.2
129.06976	3.6
131.04868	4.0
131.08539	14.3
133.10112	24.2
135.08035	5.0
135.11665	16.3
137.05956	3.5
143.08571	2.1
145.04922	6.9
147.11673	9.4
149.09526	2.1
149.13223	46.9
149.25557	2.0
151.07539	7.7
151.11153	3.2
159.11661	26.8
161.05986	3.2
161.13231	3.0
165.12714	3.5
167.07109	4.3
167.14294	3.7
177.12730	19.1
183.06490	2.8
183.55284	1.9
193.08487	2.0
195.13779	39.4
213.14793	13.3
269.17450	89.2
270.17685	3.8
297.16946	5.0
299.05618	3.4
339.17761	4.0
395.20535	2.8
413.21567	9.3
431.13467	2.9
431.22971	10.5
431.36606	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	430.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.13250	0.4
55.01846	1.0
55.05494	2.6
56.05014	0.7
57.03419	1.6
58.06589	3.7
67.05486	5.2
69.03396	1.6
69.07051	5.7
69.64752	1.5
69.65183	2.0
70.06577	2.6
71.04970	2.4
71.08620	7.9
71.17850	0.3
72.07760	0.7
72.08139	9.7
76.07616	1.6
78.26428	0.4
79.05467	2.7
81.03412	2.5
81.07042	6.0
82.03749	0.4
82.38117	0.4
83.04964	1.0
83.08602	0.8
84.04492	1.1
84.05601	0.4
84.08128	3.8
85.02881	1.8
85.06526	2.4
86.09702	3.5
87.04407	0.4
90.09153	0.7
91.05436	3.0
93.07034	3.0
95.04937	1.2
95.08601	2.1
96.05314	0.6
96.08089	0.6
96.30117	0.4
97.02884	2.5
97.06483	2.0
97.10110	0.4
98.06037	3.4
98.09679	0.6
98.21586	0.4
99.04437	0.6
99.06815	0.5
99.08080	11.2
105.07000	2.3
106.07279	0.6
107.04919	0.6
107.08575	3.2
108.08142	0.5
109.02851	0.9
109.06496	0.9
109.10169	3.4
111.04423	0.8
111.08043	0.6
112.07590	2.3
112.11214	3.2
113.76229	0.4
114.09203	0.4
115.07511	1.0
117.06983	0.6
119.08635	0.7
121.02867	0.6
121.10120	1.3
123.08032	0.6
123.11679	0.8
124.07559	0.7
125.09601	0.6
126.09140	1.1
127.03928	1.0
128.10686	1.9
129.10226	0.6
131.04939	0.7
131.08545	0.5
133.10110	3.7
135.11647	1.7
137.05988	0.6
138.09119	0.6
149.13185	0.6
151.11148	2.1
153.12755	0.5
154.12268	2.3
155.15436	0.6
156.13812	58.0
157.14223	2.4
163.03738	0.5
170.11890	0.4
170.15401	2.7
172.13283	8.5
180.13846	0.9
181.12227	0.5
182.15294	0.7
186.14890	1.1
187.13315	0.9
198.14934	0.9
201.72168	0.5
208.16924	3.5
210.18468	3.7
211.13152	0.9
212.13715	0.7
222.18503	1.1
225.19707	0.4
226.17989	15.2
227.18492	0.8
227.21144	1.9
228.19545	6.9
229.19810	0.5
240.19537	1.9
243.15932	1.3
244.19032	5.0
244.23770	2.5
258.20578	0.7
269.17496	1.1
299.05524	1.4
311.05612	0.9
324.25433	0.5
325.06976	0.5
353.06522	1.3
361.02316	0.5
394.34128	0.9
395.33081	0.7
412.35117	8.9
413.08578	0.5
413.33728	1.2
430.36340	100.0
431.18695	1.4
431.30325	0.7
431.36642	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	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.05490	1.1
57.03428	8.1
57.07064	5.2
57.35179	0.8
58.05931	1.0
59.04982	2.4
61.02931	1.0
63.04477	8.2
67.05469	1.0
68.70257	1.0
68.99789	1.5
69.03419	26.4
70.05598	2.2
70.06013	3.2
70.06577	3.9
72.08128	1.5
73.02898	2.0
75.04469	1.1
79.05457	1.0
81.03401	2.0
84.04484	1.9
84.08127	2.1
85.02886	21.7
86.06048	1.1
86.09692	12.7
87.04449	17.4
91.05383	1.1
93.07029	1.0
95.04964	1.0
97.02875	21.6
105.07047	1.1
107.08591	3.1
109.02851	2.3
109.06554	1.2
109.10090	1.3
110.77113	0.9
115.03912	27.1
116.07065	1.6
119.08548	1.0
119.10670	35.2
121.02882	2.6
121.10093	1.3
123.04356	1.2
127.03893	2.7
129.10236	1.1
130.05055	0.9
133.04944	27.7
135.04384	3.0
135.08041	2.0
137.02286	5.8
141.01834	2.3
145.04971	2.1
149.09581	2.3
150.07608	3.0
151.11241	1.0
161.02402	2.2
163.03897	2.7
165.01823	14.1
167.03479	1.1
176.10463	0.9
179.03345	1.4
181.05022	1.4
183.02823	6.3
187.03874	1.5
191.03427	2.7
191.14314	1.6
205.04916	1.2
208.34601	1.0
215.03464	1.4
215.13953	1.1
233.04297	1.0
250.18021	2.0
261.03867	1.4
261.14529	1.9
268.19131	6.3
271.06171	1.4
283.05981	2.3
285.03992	1.2
286.04529	1.0
287.05475	6.0
287.10211	1.5
295.05844	1.6
297.07495	9.7
299.05450	100.0
300.06100	1.4
300.14151	1.0
311.05554	8.5
311.08813	2.0
313.07013	4.0
321.07501	2.1
323.05347	2.8
324.06287	2.3
325.03448	1.6
325.07004	31.9
327.04880	1.5
329.06592	3.1
337.06934	3.3
339.08557	15.0
349.07025	5.2
353.06506	48.9
365.06543	11.9
367.08163	2.6
377.06586	11.1
383.07568	19.2
395.07596	18.7
413.08588	20.0
430.24100	3.2
431.09628	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	430.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01860	11.3
57.03430	6.2
60.04506	2.1
61.02915	8.7
61.86548	1.0
63.43412	1.1
68.04857	1.1
68.99776	4.4
69.03421	35.0
69.89027	2.7
69.89452	4.1
70.15871	1.0
71.04981	5.5
71.55627	1.0
73.02901	8.7
81.03400	38.0
84.04447	1.2
85.02892	100.0
87.00813	38.3
87.04450	1.4
91.03944	2.8
97.02876	40.4
98.06065	1.9
99.04438	19.7
105.01136	1.5
105.01848	30.8
108.04442	10.4
109.02860	38.5
117.01859	5.6
124.05236	1.6
126.05505	4.9
127.03895	76.1
127.82898	1.1
129.01825	3.5
132.62692	1.0
137.05989	3.0
145.04933	39.1
147.02837	3.2
159.02864	29.3
165.09093	1.5
169.16743	1.1
177.03903	2.5
189.03865	1.2
189.09056	3.1
207.10197	2.5
213.03944	4.8
230.06451	3.3
231.04938	14.4
231.10275	1.5
240.87968	1.0
248.07597	3.9
273.10864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05389	2.0
55.01861	12.6
56.96548	8.6
57.03424	12.0
59.04988	2.7
61.02897	3.4
61.46912	2.1
61.47279	2.2
70.06579	7.6
70.16087	6.4
70.16499	4.8
71.01337	5.6
71.04988	4.9
73.02908	11.5
75.92752	2.7
83.01315	4.9
84.04479	3.5
84.08129	2.8
84.95942	3.0
85.02875	6.0
86.09692	2.8
87.04453	10.9
89.02391	5.6
91.05788	11.2
95.01292	2.1
97.02879	2.1
98.21187	5.7
98.97579	4.8
101.02369	23.5
111.00775	9.8
115.03906	32.8
116.98566	3.5
127.00294	2.1
127.03911	3.4
128.98592	4.3
129.01820	34.2
133.04988	4.9
136.06134	17.9
143.03389	19.5
157.01300	28.7
158.99692	2.3
159.02881	2.3
159.77924	2.1
161.04430	21.2
167.05550	5.5
171.02890	12.6
175.02296	3.1
189.03918	100.0
207.04968	9.6
237.02701	2.4
317.04941	2.7
335.05957	4.2
359.06436	10.5
360.02878	3.7
373.04337	3.6
377.07132	19.1
395.08109	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05488	2.6
57.07069	19.4
67.05502	4.7
69.07072	4.7
69.51978	6.8
71.08618	11.4
72.58511	0.7
79.05470	2.0
81.07040	6.9
83.04969	0.8
83.08600	2.3
85.10169	5.8
91.05469	2.6
93.07003	2.7
95.08602	6.5
97.10138	2.1
105.07005	2.9
107.08601	6.3
108.14389	0.7
109.06548	1.0
109.10129	6.6
111.04328	1.1
111.11683	1.3
114.94933	0.9
117.06964	0.9
119.08581	4.2
121.06477	1.5
121.10107	2.9
122.07254	1.5
123.08066	1.1
123.11703	1.2
126.46407	0.9
131.08522	3.5
133.10092	1.8
135.08028	6.0
135.11635	2.5
137.05933	0.8
137.09604	10.3
139.07480	2.2
145.10123	1.6
147.11700	1.0
149.09604	13.2
151.07530	1.2
159.11658	2.9
160.08911	1.0
161.09654	1.2
162.06773	1.7
163.11166	19.1
164.08191	0.9
164.11543	1.1
165.09094	100.0
166.09439	2.2
172.08780	0.9
173.09595	1.5
173.13213	2.7
175.07487	1.0
175.11143	6.7
176.08315	1.8
177.09099	11.8
177.12694	2.2
179.10609	1.4
186.10445	1.1
187.11122	2.6
187.14590	0.9
189.12791	1.4
190.09836	1.1
191.10648	10.4
191.14249	0.7
201.12750	3.1
203.10677	2.3
203.14275	1.0
205.12228	9.0
215.14299	2.1
219.13760	4.6
233.15302	2.4
247.16908	1.4
261.18518	1.0
275.20145	0.8
289.21542	2.5
297.77850	0.9
303.23022	1.7
317.24823	1.7
359.29541	1.3
373.30911	1.6
393.68973	0.8
401.33923	2.1
411.36130	1.6
429.37250	35.6
430.37567	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28518	3.0
50.59592	2.7
53.03926	12.0
55.01865	12.8
55.05498	19.7
57.03425	39.2
58.06581	3.5
61.02917	28.9
67.05498	52.5
68.77448	3.2
69.03415	26.3
69.07049	14.3
69.39855	35.3
70.06571	12.6
71.01330	10.7
71.04992	7.6
72.08133	8.3
73.02907	12.8
74.67272	2.9
79.05485	39.9
81.03405	100.0
81.07039	33.2
83.04977	13.1
83.08604	17.8
84.04469	6.4
84.08114	5.9
85.02878	46.3
86.09692	10.3
87.04418	3.8
91.03934	13.8
91.05413	43.8
93.07024	26.7
95.01295	4.6
95.04949	96.9
95.08591	14.9
97.02869	44.5
97.06509	7.1
97.10124	10.7
98.21461	6.7
99.04423	7.9
99.08074	9.7
101.02366	4.6
103.03931	19.0
103.05426	7.0
105.07008	33.9
107.04955	24.7
107.08568	18.5
109.02845	24.5
109.06510	14.9
109.10149	9.6
111.04429	12.3
111.08056	7.3
112.11237	3.6
113.36127	3.2
115.03904	3.7
115.05503	3.9
117.06995	17.4
119.04874	8.1
119.08586	28.2
121.02852	6.1
121.06480	12.7
121.10122	13.2
123.04406	43.7
123.08041	5.5
125.09599	3.7
127.03894	14.7
128.06241	4.3
129.07019	17.1
131.04919	7.5
131.08565	17.5
133.06470	11.4
133.10112	15.5
135.04382	5.1
135.08054	10.4
135.11678	13.2
137.05972	10.8
143.08533	4.8
145.04926	3.2
145.06415	4.9
145.10103	16.0
147.04391	11.1
147.07997	11.2
147.11661	17.2
149.05948	8.5
149.09621	10.7
151.03835	3.3
151.11105	3.4
153.09048	4.0
156.13817	21.1
157.10098	11.8
157.14146	11.8
159.08054	4.0
159.11710	4.3
160.05185	4.1
161.05934	10.3
161.09627	6.4
163.03889	6.3
163.11159	26.1
165.12788	6.1
167.05652	6.3
167.07014	18.2
169.06427	4.2
171.11662	6.0
172.13303	5.6
173.05975	5.0
173.09628	10.2
175.07523	25.3
175.11162	13.9
177.05394	4.1
177.09004	4.2
177.12689	4.1
180.13805	4.9
185.13208	3.5
187.07545	9.8
189.05424	6.1
189.12740	9.5
191.07028	4.3
191.10699	6.1
193.08630	13.5
193.12206	40.7
193.13776	4.4
199.11198	4.5
201.09161	4.0
205.12131	6.1
207.13762	13.6
207.15491	3.5
208.16972	9.7
209.17267	10.3
211.13271	29.6
217.12180	6.2
222.18678	3.2
223.04277	3.8
223.13307	6.3
224.16490	3.9
225.16841	4.7
229.62601	3.3
235.13257	81.6
235.15479	5.9
247.13309	5.2
249.14804	11.5
253.14363	7.0
255.13853	5.0
259.13254	20.6
267.15900	35.6
273.14822	31.3
277.14465	6.7
283.13245	5.2
285.16949	7.6
289.14197	3.9
301.14313	26.8
309.16925	37.6
319.15378	9.2
345.16797	4.6
355.15286	8.1
359.02798	5.0
375.17853	21.8
393.18958	16.3
410.33612	7.6
411.20264	14.6
411.34119	49.6
428.34457	3.9
429.11679	7.9
429.21136	35.9
429.35147	40.3
430.36520	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	429.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01868	3.6
55.05497	15.6
57.03428	17.2
57.23309	1.6
57.30450	1.4
61.02901	2.7
62.25539	1.5
63.41431	1.6
67.05494	20.7
69.03413	31.0
69.07045	6.1
70.12543	7.6
71.01341	1.9
71.04976	6.9
73.02870	3.9
73.04751	2.0
79.05474	14.4
81.03400	96.4
81.07041	21.5
83.04969	21.7
83.08597	21.0
85.02900	22.0
85.06520	2.1
87.97136	1.7
91.05433	18.4
93.07038	16.1
95.04958	23.0
95.08573	8.0
97.02255	2.8
97.02874	49.5
97.03466	3.0
97.06494	2.8
97.10157	3.6
99.04433	6.7
99.08083	2.1
101.02356	1.9
103.03962	2.3
105.07015	17.6
107.04937	6.7
107.08582	8.8
109.02863	13.3
109.06506	3.9
109.10122	3.1
111.04446	8.1
111.08061	11.9
117.07001	2.4
119.08557	15.4
121.06535	2.9
121.10129	10.1
123.08044	3.9
123.11668	2.2
125.09647	2.1
127.03879	12.6
129.05452	4.5
129.06964	8.4
131.08525	11.2
133.06485	2.9
133.10136	6.5
135.07968	2.4
135.11641	2.5
137.09634	1.6
142.07773	2.8
143.08568	1.7
145.10188	2.4
147.08046	3.1
147.11658	15.0
149.09607	7.4
153.12807	1.8
155.08568	1.6
157.06519	2.8
157.10104	11.2
158.10600	1.7
163.11131	3.8
165.12775	4.6
168.09258	1.8
169.10150	1.9
171.08034	2.0
175.11172	16.1
181.10115	1.8
181.12180	2.7
183.08011	2.0
189.11235	2.0
191.10712	2.0
193.12202	68.8
201.07697	1.7
211.13255	100.0
212.13647	1.9
221.13165	1.7
227.12679	4.4
229.14412	5.7
235.13321	4.0
249.14836	7.3
267.15863	2.5
285.16885	23.8
313.16312	2.9
337.21704	5.3
355.17587	5.6
375.17496	1.7
393.19110	2.6
411.20078	4.6
411.29123	2.7
429.21179	62.5
429.26465	14.7
430.21484	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01855	4.8
55.05500	13.5
57.03426	16.8
61.02908	3.4
65.03945	1.1
65.70070	0.9
67.05487	19.0
69.03417	30.9
69.07041	5.1
69.29054	1.0
69.53131	8.4
71.01335	2.2
71.04980	8.0
73.02898	3.5
73.04746	1.3
77.59986	1.0
79.05476	17.5
81.03403	94.0
81.07040	19.3
82.03743	1.0
83.01319	1.7
83.04964	21.4
83.08607	20.7
84.68789	0.9
85.02891	22.3
85.06525	1.8
87.04468	2.3
91.03947	1.2
91.05438	20.1
93.07034	11.8
95.04955	25.2
95.08595	8.0
97.02877	48.4
97.06510	3.7
97.10162	4.9
99.04435	4.9
101.02367	2.9
103.03930	2.3
105.07016	14.3
107.04930	6.3
107.08571	8.0
109.02861	12.5
109.06518	4.4
109.10139	2.4
111.04422	9.3
111.08061	13.0
113.05261	0.8
113.06013	1.5
117.06973	2.3
119.04939	2.2
119.08563	14.9
121.06457	2.6
121.10136	8.5
123.04410	3.7
123.08048	2.6
123.11668	1.7
125.09612	3.5
127.03899	13.5
128.06216	1.6
129.05478	6.5
129.06978	9.0
131.04903	1.4
131.08542	11.0
133.06471	3.7
133.10098	9.4
135.08043	2.0
135.11682	1.9
137.06004	1.4
137.09613	1.9
142.07721	1.9
143.08508	1.0
145.04968	1.9
145.10143	3.1
147.08040	2.9
147.11647	14.9
149.02316	1.6
149.05978	1.7
149.09576	5.3
151.03894	0.9
151.07486	1.0
153.12769	1.4
157.10098	10.5
163.11172	3.0
165.05443	1.0
165.12767	3.5
167.05591	1.4
171.11551	1.1
175.11162	14.8
181.12224	2.1
183.06551	2.7
189.11133	2.4
189.12709	1.7
191.10690	3.4
193.04973	1.4
193.12202	62.9
194.12640	2.0
201.07494	1.5
203.06989	1.1
211.13261	100.0
212.13576	3.6
217.12309	1.3
227.12701	5.4
229.14334	4.5
235.13275	4.3
247.13139	1.1
249.14758	8.1
259.13409	1.4
265.14389	1.4
267.15988	2.7
273.14981	1.4
277.14426	1.3
285.16885	17.7
301.14209	1.4
309.16718	1.8
313.16458	2.2
319.15396	1.6
337.16235	2.1
355.17328	4.4
359.02789	1.3
369.28290	1.1
393.19040	3.1
411.10748	1.2
411.20010	2.3
429.11911	2.0
429.21158	50.6
430.21521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2114
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.08958	0.7
53.03938	6.2
54.04763	0.9
55.01872	4.6
55.05505	12.6
57.03432	13.0
58.50725	0.8
60.08674	0.7
61.02912	1.3
65.03931	1.1
67.05501	13.4
69.03421	22.6
69.07047	4.0
69.51981	2.0
69.52403	6.2
71.01335	1.4
71.04973	5.0
73.02892	2.2
79.05475	13.5
81.03407	78.8
81.07047	14.0
83.04971	15.6
83.08608	18.2
85.02893	19.9
85.06541	1.3
91.05463	15.9
93.07034	9.6
95.04952	21.5
95.08567	4.5
97.02881	44.3
97.06493	2.5
97.10159	4.5
99.04446	3.7
101.02358	2.5
103.03918	2.2
105.07011	12.7
107.04944	5.4
107.08567	5.9
109.02861	9.5
109.06496	4.0
109.10159	2.5
109.84303	1.0
111.04425	8.5
111.08070	8.2
113.06009	1.2
113.73861	0.9
117.07015	1.8
119.04992	1.0
119.08566	12.1
120.12138	1.0
121.06482	2.7
121.10143	6.5
123.08054	2.1
123.11692	1.4
125.05972	1.2
125.09582	2.9
127.03899	11.8
129.05453	4.5
129.06985	6.7
131.08540	7.0
133.06471	3.1
133.10092	5.5
139.03886	1.0
139.24329	1.1
142.07777	1.2
145.05016	1.5
145.10133	2.0
147.04407	1.0
147.08025	1.9
147.11659	13.8
149.09595	5.2
153.09113	1.3
157.10078	10.4
163.11194	2.2
165.12752	2.1
175.11166	13.2
181.12207	1.6
183.06535	2.2
189.11249	1.8
191.10667	2.7
193.12221	63.0
194.12553	2.6
199.11021	1.1
201.07553	1.4
211.13266	100.0
212.13594	3.0
227.12767	3.1
229.14301	5.2
235.13280	2.6
244.95477	1.0
249.14850	7.4
265.14447	1.5
267.15851	2.2
277.14212	0.9
283.15265	1.7
285.16937	20.7
285.20068	1.3
301.14539	1.4
303.26260	0.9
309.16629	1.0
313.16476	3.3
319.15353	2.1
337.16437	2.0
351.18161	1.9
355.17590	3.5
393.18918	3.2
411.19897	4.3
429.21155	65.8
430.21509	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	429.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17437	2.8
55.01855	3.9
56.96554	3.1
57.03420	3.1
61.02903	2.8
65.03922	3.0
67.05486	10.7
68.05859	2.9
69.03403	6.1
69.07056	3.7
70.06568	4.2
71.09475	5.7
71.09830	4.5
75.30500	2.4
79.05476	7.0
81.03396	8.3
81.07021	10.5
83.08605	3.8
85.02901	5.6
86.09645	3.1
91.05377	5.3
91.05821	6.6
93.07022	10.2
95.04967	5.7
95.08572	10.7
97.02886	4.8
103.05434	3.9
105.07011	11.0
107.04942	6.0
107.08570	3.3
109.10147	6.2
119.08545	6.1
121.06466	3.2
121.10139	6.6
123.11673	3.6
127.03897	4.2
129.06938	3.4
131.08577	4.3
133.06450	3.4
133.10098	3.6
136.05188	9.5
137.05943	8.1
138.06705	3.4
143.08534	3.3
145.06487	3.4
148.05222	6.8
151.03883	5.5
151.07532	22.1
157.10098	3.0
159.07994	8.0
159.11684	3.4
161.05997	7.2
165.05418	4.0
166.06245	35.4
167.05531	4.4
167.06906	2.9
173.05925	3.4
176.08345	3.6
177.05353	3.3
178.06174	3.3
181.08582	90.9
187.07513	8.6
188.08377	5.6
191.10669	7.0
199.11159	2.8
201.05432	4.0
201.08974	3.0
202.09904	14.3
203.07010	6.5
204.07832	11.4
205.08545	3.3
205.12141	3.0
209.08092	8.0
218.09358	5.9
219.10155	20.9
221.04416	5.4
221.07996	8.2
223.09590	3.9
227.06934	3.5
231.10152	8.1
233.11690	4.0
240.07648	2.6
241.08557	11.9
254.09329	6.1
255.06441	5.1
257.08096	6.6
261.11206	10.4
263.07053	3.4
263.10599	3.6
265.08463	3.4
267.10052	5.5
269.08051	17.1
270.08890	4.4
271.09689	7.9
275.05426	6.1
275.10648	3.5
277.08435	3.3
278.09308	5.2
279.10092	4.0
281.08081	3.7
284.10413	31.3
285.07477	15.9
285.10687	5.9
291.10138	8.1
295.09613	4.2
297.07446	5.3
299.09036	7.5
300.09906	15.8
300.78406	2.9
301.10785	3.7
305.11606	7.5
306.12405	5.2
307.09616	11.7
309.10941	4.7
312.09897	8.7
313.10623	12.7
314.11548	9.8
315.12195	14.5
319.09500	6.8
321.11209	8.2
322.11899	10.3
323.09265	4.4
325.10461	3.3
327.12170	6.6
328.12988	7.1
329.10092	3.7
334.11792	4.8
335.09012	3.4
336.13553	5.7
337.10446	5.4
337.14191	8.2
338.11627	3.2
339.12070	7.2
341.09970	8.9
343.11731	38.8
349.10544	4.4
349.14322	14.3
350.11374	9.0
353.13742	12.2
358.14066	100.0
359.02747	9.2
359.14780	21.5
365.13745	24.8
367.15097	5.4
368.16068	8.6
369.13174	5.7
371.14758	28.8
379.15314	6.0
380.16147	43.0
381.13257	8.7
396.15561	9.5
399.17841	7.6
411.17947	71.4
411.29129	5.5
412.18686	4.9
429.19196	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	428.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03421	0.5
58.06592	3.6
67.05516	2.0
69.03398	1.0
69.07056	2.0
70.06578	2.1
70.68161	0.9
70.68529	0.9
71.04971	1.2
71.08244	0.7
71.08620	11.2
72.07775	0.5
72.08147	8.3
79.05477	2.6
81.03376	0.5
81.07036	2.5
83.04976	0.9
83.08627	0.4
84.04480	0.7
84.08135	3.1
85.02908	0.6
85.06527	0.7
86.09670	0.4
91.05462	0.9
93.07041	2.4
95.04929	0.8
95.08584	1.1
97.02888	0.6
97.06506	0.8
98.06034	3.7
98.09677	0.7
98.20747	0.4
99.08078	19.1
105.07013	0.8
107.04913	0.8
107.08577	2.2
108.41323	0.5
109.10143	0.9
110.06036	0.4
112.07563	0.4
112.11233	3.6
115.07539	0.8
119.08550	0.7
121.10120	1.4
122.97655	0.4
123.08101	0.4
124.07590	0.7
126.09124	1.6
126.84116	0.4
128.10657	2.3
131.08560	0.6
133.10107	0.5
135.71153	0.4
149.09579	1.4
151.11093	0.4
154.12230	1.9
155.15306	0.5
156.13814	100.0
157.14180	1.8
167.10675	0.7
168.13860	0.6
170.15411	0.6
172.13316	3.5
180.13834	0.9
182.04945	0.9
186.14944	0.6
196.13277	1.0
208.16917	2.6
224.16479	3.8
226.17957	2.9
227.21182	1.5
235.13448	0.4
238.17978	6.5
242.29633	0.4
267.11804	0.5
295.23666	0.9
297.03787	0.6
312.26407	1.2
314.28098	0.6
392.32626	1.9
393.30954	1.9
410.33707	67.8
411.34189	2.9
428.34781	45.6
429.21228	0.8
429.35043	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05496	3.3
56.05023	1.3
57.03413	2.0
58.06590	3.2
62.73267	0.5
67.05493	7.5
69.03423	2.4
69.06689	0.7
69.07053	12.5
69.96792	3.2
70.06577	6.0
71.04980	2.1
72.08144	9.7
73.06541	1.8
76.07619	1.0
78.97423	0.5
79.05462	3.1
80.93374	0.6
81.03401	4.7
81.06605	0.6
81.07040	6.7
83.04961	1.9
83.08596	1.4
84.04488	3.0
84.08123	5.1
85.02891	2.8
85.06524	1.8
86.06055	0.8
86.09702	1.5
91.05408	3.3
93.07030	2.9
95.04955	2.0
95.08580	1.6
97.02905	3.7
97.06529	3.7
98.06037	10.3
98.09682	1.6
99.04447	0.9
99.06794	0.7
99.08074	1.0
100.07628	1.2
103.05446	0.9
105.07011	4.6
107.04918	0.9
109.02862	1.0
109.06490	1.7
109.10123	4.1
110.06026	1.3
110.07159	0.5
110.68506	0.5
111.08078	0.7
112.07591	3.3
112.11222	3.5
114.09141	1.1
115.07539	5.8
116.06927	0.5
117.07019	0.5
119.08537	1.4
120.08169	0.8
121.02882	0.6
121.10130	1.2
123.04388	0.7
123.11688	1.6
124.07558	2.8
125.09643	1.0
126.09126	4.1
127.03891	1.1
128.10733	1.1
129.07001	0.8
129.10217	1.1
129.13806	0.6
130.05049	0.7
131.08531	0.9
133.06445	0.6
133.10101	4.1
135.08026	0.9
135.11650	1.1
136.07590	1.4
136.95305	0.5
137.06026	0.6
138.09119	0.9
143.11827	1.0
145.10124	0.7
147.11662	1.0
149.09573	1.4
151.03618	0.6
151.11185	1.8
152.10683	0.6
152.14452	0.5
154.12250	5.8
156.13835	2.6
161.09489	0.5
167.05496	0.9
168.13828	3.2
171.14900	1.2
172.13293	29.9
175.11195	0.8
180.13812	3.7
182.13217	0.5
185.16518	0.9
186.14822	4.3
189.12828	0.6
193.12175	3.2
198.14873	2.6
204.08791	0.9
208.16927	15.4
209.17322	0.6
211.13197	3.3
222.18404	0.6
225.19579	0.7
226.17978	35.3
227.18262	1.2
240.19656	1.4
242.18552	0.9
243.20641	1.1
249.14862	0.5
257.04510	1.4
260.23309	1.1
285.03818	3.7
285.16818	1.1
297.03888	0.8
297.25439	1.1
298.47012	0.6
299.09088	1.0
303.05029	2.0
305.08484	0.5
314.24564	0.7
314.28021	1.4
315.36743	0.6
325.06900	0.6
330.24069	0.8
344.26129	0.7
359.02866	1.3
384.24976	0.8
392.32401	0.7
401.12369	0.9
410.33774	5.6
411.32043	1.5
428.34778	100.0
429.11826	1.4
429.21375	3.3
429.35025	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.2
57.07067	5.5
63.02832	3.5
67.05486	25.8
69.07045	19.5
70.41368	17.5
71.04978	15.3
72.41546	3.9
77.68302	3.5
79.05478	27.1
81.07042	73.3
81.51079	3.9
83.08604	13.3
89.20008	3.7
91.05460	45.1
93.07030	67.9
95.08591	86.3
97.10181	5.0
99.08080	10.0
104.49954	3.9
105.07005	100.0
107.08580	78.0
109.06516	4.7
109.10137	74.3
114.66882	3.4
117.07012	11.4
119.08554	84.9
121.10113	62.5
123.08125	3.8
123.11682	24.7
125.09653	4.8
127.11165	45.5
129.06987	5.1
131.08524	33.9
131.37660	4.0
133.10106	81.1
135.11673	55.3
137.13168	4.3
140.94759	3.3
141.12532	3.4
143.08578	7.9
145.10110	46.9
147.11664	98.6
149.13235	29.8
155.08598	5.2
157.10104	14.5
159.11668	53.0
161.13248	59.8
163.14830	25.5
163.16022	3.9
165.12910	3.9
171.11705	11.0
173.13271	38.7
175.14772	28.7
177.16411	4.9
185.13284	7.9
187.14804	32.0
189.16357	71.2
191.17938	9.8
199.05592	3.7
199.14732	7.6
201.16351	44.7
203.17926	33.4
205.15909	7.4
207.17375	6.2
213.16376	10.6
215.17931	31.6
216.18303	4.5
219.17508	9.9
227.17801	5.2
229.19493	15.5
233.18983	20.8
241.19603	5.9
299.62177	4.4
323.27344	7.1
341.28363	8.5
391.33606	16.2
409.34622	65.8
427.35721	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37014	0.2
55.01848	0.2
57.04542	0.6
69.81743	1.2
70.06564	0.6
72.08149	0.2
73.52825	0.2
75.71367	0.2
84.08105	0.2
86.09670	0.2
94.04029	1.7
99.14885	0.2
106.03983	0.2
112.05051	0.3
121.02812	0.2
121.05080	0.2
123.04407	0.4
123.06670	0.9
133.05026	0.3
137.00806	0.2
137.02254	0.4
137.04596	0.1
139.03864	0.5
149.97606	0.2
150.07721	100.0
151.08209	1.1
160.73135	0.2
172.89368	0.2
178.78464	0.2
188.93948	0.2
191.17723	0.2
200.69246	0.2
205.04610	0.2
247.06075	0.2
257.04425	0.4
259.05182	0.3
260.05417	0.2
263.04462	0.2
265.07401	0.2
273.03729	0.2
274.04211	0.2
275.04419	1.2
276.04840	0.4
277.04968	0.9
282.11981	0.8
287.05289	0.3
295.11444	19.2
295.99628	0.2
296.11697	0.5
301.06006	0.4
305.05563	0.3
306.05981	0.3
307.06055	0.5
329.05493	0.4
346.54761	0.2
361.07501	0.2
373.06839	0.4
391.07886	0.4
409.09048	0.5
427.10431	0.2
427.19296	0.8
428.14566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02562	0.7
51.79998	0.7
53.03936	1.1
53.04281	0.8
55.05508	1.3
56.23966	0.7
58.38666	0.8
65.50155	0.8
67.05495	1.9
69.03423	1.2
69.07037	1.3
69.40672	8.8
70.06560	0.9
79.05477	2.8
81.03406	1.1
81.07047	3.6
85.06511	1.0
90.80406	0.7
91.05456	4.5
93.07041	2.5
94.04177	4.4
95.04984	1.8
95.08582	1.3
103.05421	1.5
105.07021	8.7
107.04951	1.0
107.08569	1.6
109.06497	2.8
109.10123	0.7
111.46899	0.7
115.05436	4.1
116.98640	1.0
117.07010	0.9
119.08499	0.9
120.40261	0.8
121.06502	0.8
121.10138	1.4
122.03638	11.0
128.06178	3.0
129.06960	1.0
131.04861	1.0
131.08560	0.9
133.06477	4.6
134.59338	0.8
137.05956	100.0
138.06297	2.1
141.07010	1.5
145.06462	0.9
146.03600	3.0
149.05962	1.8
156.05742	1.2
156.13896	1.4
159.08052	1.4
161.05957	24.9
167.07054	1.9
171.08061	1.6
175.07541	1.1
183.11465	0.8
184.05162	2.7
187.07516	1.8
189.06995	1.1
191.08540	2.7
192.09406	1.0
199.07512	17.7
202.07698	9.0
203.08517	15.2
205.06430	1.0
215.08702	0.9
219.08005	5.2
220.08827	5.2
221.09500	1.3
231.08003	18.0
231.10112	1.4
232.08772	4.8
233.09343	1.0
235.07396	1.2
237.09203	1.8
247.07578	3.5
248.08293	10.8
249.08916	1.8
258.06702	0.9
259.07529	13.2
260.08249	5.3
261.08636	1.1
263.10629	7.8
265.08469	1.2
265.11072	1.4
275.07083	1.9
276.07816	5.8
277.08481	4.1
291.10107	43.6
292.10724	6.0
293.08023	1.4
295.13138	2.0
307.04333	0.9
308.10471	2.3
323.12714	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.98906	4.0
53.03928	6.4
55.05492	20.1
57.07064	4.3
67.05489	32.1
68.63192	4.4
69.07051	42.0
71.21409	7.0
71.21761	10.6
75.71992	4.4
79.05468	17.9
79.62593	4.7
81.07040	68.5
83.08597	16.8
91.05456	17.9
93.07032	56.3
95.08586	100.0
97.10135	9.5
98.94790	4.3
105.07003	40.4
106.67973	4.5
107.08569	72.0
109.10138	67.1
119.08572	54.6
121.10121	68.8
123.11703	21.6
131.08498	9.7
133.10098	42.3
135.11661	37.9
137.13196	12.8
139.11136	13.3
145.10074	25.6
147.11685	35.4
149.13226	29.5
152.60655	4.5
159.11687	19.4
161.13260	19.8
163.14815	16.7
173.13223	12.2
175.14789	22.2
177.16370	11.5
185.13274	6.6
187.14790	12.1
189.16374	20.1
191.17867	22.5
201.16315	24.8
203.17909	19.4
205.19533	6.3
211.23578	4.7
215.17928	10.1
217.19464	30.5
219.21039	5.6
231.20992	10.4
407.36697	40.4
425.32074	9.4
425.37695	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.66652	2.4
52.05276	2.2
55.05488	7.0
57.07073	4.4
57.18274	2.3
67.05489	17.1
69.07049	19.5
71.13246	3.0
71.13593	4.8
73.51636	2.1
77.89375	2.5
79.05460	8.0
81.07047	32.8
83.08603	4.3
89.06027	2.8
91.05467	5.7
93.07033	15.2
95.08004	3.8
95.08591	61.6
95.09190	3.9
97.06533	2.9
97.10172	3.0
105.07017	12.1
107.07901	3.7
107.08569	29.9
109.10140	46.3
111.11744	2.8
119.08556	17.9
121.10130	30.0
123.07993	2.4
123.11687	16.2
131.08575	3.5
133.10085	15.5
135.11668	24.0
137.13222	12.5
145.10118	5.0
147.11638	9.6
149.13274	13.4
159.11676	9.1
161.13208	11.4
163.14790	10.9
173.13269	7.0
175.14771	8.4
177.16371	4.6
179.14294	4.0
187.14815	5.9
189.16396	8.2
191.17902	16.7
201.16327	5.3
203.17908	11.4
205.19475	8.9
207.17415	3.8
215.17871	11.8
217.19481	6.4
227.17880	3.2
229.19518	4.9
231.21036	3.7
243.21181	4.7
245.22684	7.0
247.20587	10.1
249.14682	2.6
257.22723	2.7
261.22067	4.6
271.24149	4.1
277.80627	2.9
287.23715	3.3
301.25543	2.5
315.26877	2.7
407.36655	21.8
425.32092	4.7
425.37708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04472	0.5
59.73283	0.4
60.54041	0.6
69.53199	0.6
69.53448	1.1
69.53851	3.6
69.80083	0.5
70.89217	0.6
82.99862	2.0
94.99816	0.5
97.02840	0.6
98.20720	1.1
101.00871	9.7
109.02834	0.7
113.00854	1.4
117.32860	0.5
119.01907	21.3
122.24870	0.5
127.02407	1.3
131.01888	7.0
133.03416	0.9
137.02911	1.7
143.01878	20.9
145.03456	7.1
147.01392	1.0
149.02968	0.7
155.01869	8.6
157.03447	5.3
161.02940	43.6
162.03120	0.7
162.72015	0.6
163.04512	0.9
167.01877	5.1
169.03470	3.1
171.05003	1.2
173.02936	16.7
175.04491	1.3
179.01859	2.5
179.03949	0.7
184.04515	1.4
185.02940	29.1
186.03061	0.7
187.04538	3.5
191.04034	4.7
196.04596	0.6
197.02945	10.9
199.04584	0.9
203.03992	15.1
209.02931	1.1
215.03984	6.3
221.04991	1.9
227.03975	5.3
233.05006	0.7
239.03979	0.8
245.05042	100.0
246.05235	3.3
257.05023	5.0
263.06094	27.2
264.06284	1.3
275.06152	12.6
281.07272	0.6
286.07837	0.9
293.07123	3.7
305.07166	8.7
335.08240	2.8
365.09323	4.7
425.11484	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.05023	2.2
57.07063	1.1
60.08152	16.5
67.05496	3.0
68.05830	0.6
69.07061	2.2
70.05638	2.6
70.06577	0.8
71.06995	0.8
71.07361	11.9
71.08643	0.4
79.05478	1.4
80.43276	0.4
81.07048	2.7
83.04945	0.6
83.08600	1.4
86.09692	80.3
87.10023	0.9
91.05463	1.0
93.07032	1.7
95.04961	0.6
95.08595	1.3
96.63782	0.5
97.02904	0.6
97.06522	1.0
97.10130	0.7
98.20664	0.4
98.98452	10.1
104.10728	8.7
105.06989	0.6
107.08585	1.0
109.10134	2.3
111.08020	0.6
121.10097	0.8
124.99986	64.9
135.11661	0.6
143.01041	0.9
145.10106	1.0
175.36914	0.4
184.07318	32.0
218.11794	0.6
223.20517	2.2
226.05751	0.6
228.33105	0.4
257.04337	0.6
258.04828	1.4
261.03625	0.5
262.04352	0.4
272.06241	0.7
273.03952	2.8
274.04245	7.3
275.04526	0.9
284.39124	0.4
286.04135	0.7
298.04239	0.6
299.05267	0.5
300.02576	0.5
300.05704	2.0
303.04898	0.9
304.05225	4.1
314.07312	0.6
324.05844	0.7
328.05191	2.6
340.05362	1.3
352.05264	1.3
358.06320	0.9
364.28662	0.6
370.06451	1.8
388.07510	2.2
406.08536	0.5
406.27106	1.3
424.28165	100.0
425.28653	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	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93092	2.2
55.05494	14.3
57.07053	8.7
58.93319	2.1
64.80645	2.3
67.05501	22.6
69.07059	36.2
70.18831	8.8
71.08616	5.2
79.05479	15.2
81.07047	42.7
83.08595	9.3
85.06516	2.7
91.05456	8.4
93.07035	33.5
95.04949	3.5
95.08593	48.5
97.10146	3.0
105.07018	16.0
107.08582	41.9
109.06510	13.5
109.10141	34.3
111.08081	2.4
119.08568	22.9
121.10133	25.7
123.08046	30.3
123.11710	15.8
131.08548	9.8
133.10115	21.3
135.08069	5.5
135.11656	11.9
137.09596	3.2
137.13234	5.8
143.08537	9.5
145.10117	20.3
147.11684	14.2
149.13229	17.6
157.10100	9.0
159.11655	23.4
161.13223	8.8
163.14818	8.1
169.10149	4.7
170.10938	5.2
171.11676	11.5
173.13216	9.3
175.14835	11.4
179.14288	84.5
180.14627	3.7
183.11722	3.0
184.12469	5.8
185.13220	7.4
187.14827	18.1
189.16295	12.8
191.17860	6.9
197.13219	3.2
199.14775	40.0
201.16351	84.8
203.17975	3.4
205.15892	6.7
205.19446	3.9
211.14903	3.1
213.16347	10.1
215.17932	9.9
217.15846	4.3
217.19461	3.9
219.17453	7.0
225.16446	3.1
227.17975	3.8
239.17879	3.6
245.22603	5.1
262.86935	2.4
267.20932	2.6
275.20016	2.5
323.27414	3.1
331.26300	34.6
332.26645	3.4
349.27493	11.1
405.35092	64.1
423.30963	100.0
423.36264	28.9
424.31320	8.2
432.79236	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05503	11.8
57.07070	4.4
58.67148	1.1
65.03922	1.7
67.05494	21.5
69.07055	34.0
69.36530	2.6
69.36935	12.7
71.08621	2.4
72.04518	2.2
77.44100	1.2
79.05481	10.9
81.07047	37.9
83.08604	7.6
84.22334	1.2
91.05455	11.0
93.06446	1.5
93.07031	29.0
95.04967	2.6
95.08594	51.5
97.10168	3.8
105.07022	18.3
107.08578	37.1
109.06499	5.9
109.10141	34.2
111.11719	2.1
116.07080	4.4
117.06985	3.0
119.08565	28.5
120.08911	1.3
121.10128	21.8
123.08040	12.9
123.11695	13.2
129.06993	1.5
131.08548	10.4
132.41417	1.3
133.10109	18.3
135.08029	2.8
135.11688	12.9
137.09653	1.7
137.13251	4.4
142.07751	2.0
143.08578	8.8
145.10106	25.1
147.11671	12.7
149.13223	15.9
155.08540	2.4
156.09302	2.4
157.10118	12.0
158.10925	2.2
159.11682	22.2
161.13187	12.3
163.14769	6.7
169.10146	3.4
170.10855	3.6
171.11652	11.1
172.12428	2.9
173.13252	10.7
175.14821	11.2
177.16342	2.2
179.14296	20.2
179.15747	1.9
183.11679	4.7
184.12442	2.6
185.13229	8.4
187.14784	18.5
189.16399	10.9
191.17950	7.6
197.13255	5.2
199.14780	38.2
199.16464	2.4
200.15111	1.6
201.16357	100.0
202.16702	3.8
203.17958	6.4
205.15929	3.0
205.19405	1.6
209.13240	1.6
211.14757	4.0
213.16336	10.9
215.17955	12.6
217.15939	6.0
217.19444	6.9
219.17427	10.4
219.21384	1.3
223.14716	1.7
225.16399	3.6
227.18001	2.2
231.17546	1.3
231.21004	1.6
233.19017	1.5
237.16539	1.4
239.17996	4.4
241.19521	1.4
245.22652	2.9
251.18076	2.2
253.19464	3.1
255.21077	1.8
267.21054	1.7
273.03964	4.9
279.21182	1.7
285.03683	1.3
294.23117	1.7
295.24170	2.0
299.05646	1.8
303.05185	1.4
323.27298	2.0
331.26321	11.2
335.25836	2.3
337.28793	1.4
349.27466	2.9
405.35098	71.1
406.35355	6.5
423.30942	35.1
423.36234	33.1
424.31223	3.6
424.36530	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.2
57.07051	8.1
65.03914	3.8
67.05495	39.2
69.03425	3.6
69.07058	45.8
71.08601	3.1
79.05485	17.7
81.07044	61.9
83.04868	2.3
83.08614	17.0
91.05453	22.0
93.07030	35.4
95.04967	4.6
95.08006	5.4
95.08595	88.2
97.06522	5.5
97.10161	6.3
105.07008	44.4
107.08575	71.1
109.06466	4.4
109.10142	54.9
111.08060	3.8
111.11680	4.0
112.99987	9.2
117.06993	5.2
119.08561	61.3
121.10122	64.2
121.63490	2.3
123.08036	11.7
123.11692	23.5
125.09619	4.9
127.11182	3.6
129.06973	4.7
131.08554	19.8
133.10103	47.5
135.11671	34.5
137.13237	8.1
137.96935	2.6
139.11154	3.7
143.08514	11.9
145.10117	32.7
147.11674	36.3
149.13248	19.9
155.08536	4.3
156.09296	4.8
157.10107	21.1
159.11662	34.3
161.13222	22.6
163.14777	8.2
169.10088	12.0
170.10974	3.1
171.11685	11.5
173.13249	19.2
175.14850	12.8
177.16344	7.9
179.14296	14.9
183.11572	13.2
185.13202	24.3
187.14806	23.2
189.16360	16.9
191.17957	11.3
195.11618	4.3
197.13159	6.9
199.14828	15.6
201.16394	28.6
203.17879	21.1
205.15904	3.0
209.13208	4.7
211.14835	8.0
213.16371	9.4
215.17912	13.4
217.15686	3.1
217.19444	10.4
225.16382	11.1
227.17967	7.5
229.19470	4.5
239.17833	4.3
241.19626	5.9
243.20998	6.6
245.19110	3.8
251.18019	3.6
253.19571	5.0
255.21095	3.4
257.04370	9.9
257.22574	5.6
265.19489	4.0
267.21030	7.1
269.22482	4.5
271.05893	3.9
273.03928	44.8
274.04340	5.0
279.21115	5.1
285.21945	3.1
285.76031	2.7
295.24185	6.1
299.05490	9.2
303.05020	21.4
313.25278	4.9
327.05103	16.5
331.26239	7.2
339.04932	5.1
351.04947	4.3
357.05890	5.4
369.05673	4.7
387.07138	6.1
405.35080	54.2
406.35168	3.6
423.30890	17.0
423.36127	100.0
424.36679	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	423.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.4
57.03410	2.7
57.07059	9.1
67.05494	22.3
69.07055	29.1
71.08629	4.6
71.16418	5.4
79.05480	12.8
81.07035	41.0
83.04956	4.7
83.08601	12.3
85.06512	3.5
90.68772	2.2
91.05453	13.6
93.07032	22.8
93.76960	2.1
95.08582	45.4
97.06535	2.8
97.10145	4.6
99.08140	2.8
105.07005	20.2
107.08575	34.1
109.06503	19.3
109.10141	36.9
111.08043	12.6
111.11677	3.9
117.06989	3.6
119.08558	27.3
121.10114	23.2
121.13147	2.2
123.08047	43.1
123.08887	4.7
123.11658	13.7
125.09587	3.1
128.45419	2.8
131.08537	10.2
133.10126	20.4
135.08022	7.9
135.11717	14.4
137.13304	2.8
143.08533	5.8
145.10097	16.3
147.11638	15.4
149.09561	4.7
149.13249	9.3
157.10121	8.3
159.11674	15.2
161.13251	13.3
163.14804	2.7
165.09134	4.5
165.12654	3.2
169.10239	2.5
171.11609	6.3
173.13243	9.5
175.14854	3.6
177.12700	6.7
179.14273	53.9
183.11633	4.1
185.13243	6.3
187.14728	5.5
189.16367	4.7
191.17938	8.7
199.14746	4.3
201.16275	18.6
203.14133	3.6
203.17989	7.8
205.15771	5.4
209.13379	3.2
213.16412	4.0
215.17926	6.9
217.15909	3.0
217.19531	4.1
219.17470	9.9
231.17371	10.0
233.18944	5.7
239.18031	3.1
251.26880	2.5
273.01038	2.3
273.03900	8.9
297.25720	3.2
299.05652	2.8
303.04999	4.5
303.26794	4.0
313.25238	3.2
314.30182	2.5
320.46100	2.9
327.05023	4.1
331.26239	38.3
337.28970	4.7
349.27325	7.6
394.01245	2.5
405.34918	7.8
423.30893	100.0
423.36179	35.0
424.31384	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40232	1.7
55.05504	8.4
57.03423	2.8
57.07061	9.8
67.05491	14.2
69.07053	11.5
69.51879	5.6
69.52307	11.1
71.05003	1.7
71.08630	4.3
72.28239	1.6
79.05485	9.6
81.07041	23.2
83.04908	1.6
83.08601	3.7
85.06536	2.7
85.10021	1.7
91.05470	6.0
93.07023	12.1
95.04954	2.6
95.08594	19.9
97.06481	2.3
98.20644	2.9
99.08089	3.4
99.35717	1.6
105.07027	8.9
107.08585	11.6
109.06506	31.6
109.10131	6.1
111.08076	2.8
117.07023	1.9
119.08566	8.5
120.20756	1.6
121.10132	7.4
122.07257	3.5
123.08049	63.6
123.11696	2.0
131.08604	3.2
132.79764	2.2
133.10118	5.7
135.08040	13.3
135.11649	4.0
137.09665	2.5
137.13287	1.7
140.68103	1.8
145.10104	4.2
147.11652	3.7
149.09610	4.6
149.13222	2.7
161.13229	2.1
165.12631	2.9
175.14603	1.6
177.12694	2.9
179.14291	100.0
180.14526	2.9
184.93849	1.5
193.15750	2.5
199.91289	1.8
205.15907	3.9
257.04535	2.4
273.03854	9.5
275.20178	3.0
290.88586	1.7
293.21173	2.1
303.04810	3.6
303.26703	3.0
331.26273	25.7
349.27325	7.8
357.06015	2.3
423.30991	79.2
424.31308	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30376	1.0
55.01859	1.1
55.05512	5.6
55.16819	0.9
57.03415	2.3
57.07050	3.6
60.20389	1.0
67.05501	8.6
69.07059	8.9
70.19865	1.1
71.04947	0.9
71.08607	3.0
72.08139	13.3
79.05478	6.3
81.07050	13.4
83.04967	1.4
83.08600	3.2
85.06525	1.6
86.09676	2.7
86.45009	0.9
91.05479	3.6
91.59178	1.0
93.07035	9.9
95.08592	12.0
97.06503	2.2
97.10162	1.9
97.71553	1.0
105.07014	4.3
107.08567	10.0
109.06496	13.5
109.10145	3.6
112.99986	5.0
115.00386	1.4
119.08565	8.0
121.10146	5.5
123.08051	39.2
123.11704	2.5
131.08565	2.1
133.10124	4.5
135.08040	6.9
135.11665	3.6
137.09615	1.3
137.13261	1.3
145.10130	3.1
147.11668	4.2
149.13239	3.0
157.10126	1.1
159.11635	2.7
161.13280	2.6
165.12759	2.0
167.14336	1.4
175.14853	1.6
177.12775	3.1
179.14282	59.0
191.14240	1.5
193.15884	1.4
205.15947	2.4
263.20233	1.4
273.03870	6.9
274.04279	1.4
275.20047	3.8
289.25177	1.4
293.21133	1.4
303.04868	4.8
303.26816	2.9
327.05078	2.9
331.26300	35.1
332.26645	2.7
349.27292	10.2
351.04453	1.0
364.42191	1.1
367.24890	2.4
405.29816	1.8
423.31000	100.0
424.31424	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	423.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51773	0.8
55.05499	8.7
57.03416	3.0
57.07076	4.3
59.63984	0.9
65.03907	0.8
67.05179	1.2
67.05491	12.0
67.76115	0.8
69.07050	12.9
69.55227	6.6
71.04961	1.1
71.08612	2.5
75.04446	0.9
79.05482	7.3
81.07041	17.5
83.04967	1.6
83.08608	5.4
85.06507	2.2
86.09673	1.3
91.05469	5.7
93.07026	11.2
95.04964	1.1
95.08586	17.2
97.06493	2.6
97.10155	1.6
99.08087	1.5
105.06997	7.5
107.08574	12.0
109.06506	19.8
109.10138	8.5
111.08057	2.8
119.08555	8.5
121.10123	9.0
122.07274	0.9
123.08045	61.2
123.11668	3.0
124.08392	1.4
131.08543	2.9
133.10110	7.2
135.08022	10.1
135.11673	3.9
137.09581	4.0
137.13255	1.4
142.19505	0.8
145.10077	4.8
147.11635	5.1
149.09581	3.1
149.13161	4.0
151.11172	1.4
157.10072	1.2
159.11668	3.5
161.13188	2.8
163.11111	1.6
163.14774	1.2
165.12717	1.6
171.11768	1.2
173.13219	2.1
175.14758	1.3
177.12703	5.0
179.14282	54.0
180.14612	1.9
191.14230	1.0
193.15790	2.2
201.16328	1.7
205.15887	2.6
214.29997	0.8
219.17328	1.6
233.18982	2.0
245.12115	0.9
247.20546	1.5
263.19794	1.0
273.03958	1.7
275.20129	3.7
277.21817	1.0
289.25238	1.8
293.21075	3.3
297.57443	0.8
303.04895	1.5
303.26712	4.7
331.26257	37.7
332.26636	1.8
349.27298	11.3
367.24826	1.9
405.30093	1.4
423.30984	100.0
424.31381	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05502	4.4
57.03427	2.3
57.07062	5.0
58.95606	0.7
65.03945	1.0
67.05492	9.6
69.07063	8.1
69.86688	4.5
71.04972	1.5
71.08617	4.5
79.05473	5.5
81.07047	16.0
83.04974	1.2
83.08612	3.1
84.27725	0.7
85.06522	3.0
91.05462	4.4
93.07034	9.3
95.04921	1.2
95.08595	14.3
97.06530	1.3
97.10152	1.2
99.08076	2.5
105.07020	7.5
107.08574	8.6
109.06503	19.1
109.10136	7.7
111.08092	1.1
113.00016	1.7
117.07026	1.2
119.08570	6.9
121.06436	0.9
121.10135	6.9
122.07284	1.6
123.08049	34.1
123.11667	2.2
124.08424	1.1
130.22514	0.7
131.08560	2.5
133.10106	4.8
135.08035	7.1
135.11710	2.0
137.09607	2.3
137.13203	1.1
145.10103	3.6
147.11662	3.8
149.09613	1.8
149.13252	1.7
157.10133	0.8
159.11678	3.9
161.13260	2.1
165.12749	2.3
167.14323	1.0
171.11757	1.2
175.11298	1.2
175.14848	1.9
177.12730	2.1
177.16359	1.0
179.14285	87.1
180.14627	2.7
183.11667	0.9
185.13260	0.9
187.14833	1.5
189.16365	1.2
191.14371	1.1
193.15837	3.5
201.16397	2.1
203.17970	1.1
205.15866	2.6
215.17856	1.2
219.17464	0.7
229.04959	0.9
233.19019	1.1
247.20509	0.9
257.04422	2.9
260.03137	1.2
263.20181	0.9
271.06104	1.5
273.03885	16.9
274.04376	2.1
275.19955	2.6
285.03925	1.9
289.25189	0.9
293.21176	0.9
297.03992	0.9
299.02399	1.1
299.05273	3.9
303.04984	9.2
303.26776	2.1
313.06845	1.2
313.25046	0.8
327.05051	4.7
331.26260	37.5
332.26407	1.6
339.05042	0.9
349.27368	10.2
351.04843	2.6
357.05994	2.3
369.06070	2.9
387.07162	2.8
405.08517	1.0
405.30048	2.4
405.35187	1.8
423.31012	100.0
423.35855	4.7
424.31140	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	423.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01845	0.8
55.05499	4.9
57.03428	1.2
57.07064	4.6
57.93075	0.5
63.02362	0.5
64.74604	0.6
65.03893	0.6
67.05494	11.2
69.03408	1.4
69.07047	6.2
69.84062	0.8
69.84463	2.9
71.04948	1.0
71.08618	3.7
71.25992	0.6
79.05468	5.4
81.07043	13.6
83.08588	1.9
85.06516	2.3
85.41592	0.6
91.05452	4.9
93.07019	8.2
95.04932	0.9
95.08591	11.4
97.02853	0.6
97.06499	2.4
97.10089	0.8
99.08064	1.9
100.11952	0.5
105.07006	5.2
107.08566	7.9
109.06502	18.1
109.07677	0.7
109.10151	5.4
111.08045	1.3
113.58582	0.6
117.06985	0.9
119.08546	5.3
121.06490	0.7
121.10107	4.5
122.07223	1.5
123.08044	32.1
123.11649	1.3
124.08405	0.9
131.08548	1.6
133.10114	3.6
135.08026	7.3
135.11668	2.1
137.09576	1.1
145.10135	2.7
147.11642	2.4
149.09596	2.2
149.13226	1.5
151.14780	0.5
159.11646	1.9
161.13203	1.3
163.14758	1.0
165.12730	1.4
167.14273	1.1
173.11772	1.2
173.13184	1.1
175.14792	0.9
177.12704	1.7
177.16367	0.7
179.14279	83.6
180.14595	1.7
180.38217	0.6
187.14828	1.0
189.16415	0.9
191.14250	1.2
193.15849	2.5
196.02068	0.6
205.15785	3.5
209.23987	0.6
219.17436	0.6
233.18997	1.6
234.43233	0.5
239.17888	0.7
257.04483	1.5
261.03827	0.7
273.03900	11.1
275.20059	1.7
285.03946	0.9
299.05408	2.0
303.04935	5.4
303.26743	2.2
304.05283	0.8
313.06967	0.9
327.04938	4.0
331.26251	37.3
332.26559	1.8
339.04947	1.6
349.27393	1.4
351.04892	1.6
357.06006	1.3
367.24432	0.8
369.06085	1.8
387.07159	1.0
405.30237	0.7
405.99982	0.6
423.31003	100.0
424.31522	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	423.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05274	0.7
55.05502	5.7
56.58088	0.8
57.03417	2.5
57.07063	1.6
60.06993	0.8
67.05499	7.7
67.34582	0.7
69.07050	9.4
71.08616	2.0
79.05473	5.1
81.07040	10.2
83.08629	4.0
85.06527	2.0
91.05460	3.6
93.07018	6.4
95.04919	1.0
95.08585	10.6
97.06500	2.5
97.10134	1.0
99.08078	1.4
105.07024	4.8
107.08582	8.4
109.06499	10.7
109.10133	4.5
111.08038	1.5
119.08560	5.9
121.06444	1.0
121.10129	4.9
122.07227	0.9
123.08047	50.0
123.11664	1.9
125.09558	1.0
131.08548	2.0
133.10107	3.6
135.08043	8.1
135.11652	2.0
137.09584	2.8
137.13330	1.4
145.10081	2.0
147.11642	1.7
149.09599	2.7
149.13217	1.6
159.11623	2.3
161.09665	0.9
165.12746	1.3
167.14265	1.5
173.13255	1.2
177.12727	3.7
179.14279	31.2
180.14630	0.9
191.14243	1.0
193.15842	1.7
205.15894	0.9
214.05930	0.8
215.17821	0.9
229.53429	1.2
233.18997	1.1
247.20610	1.9
263.19992	1.3
273.03986	2.5
275.20071	3.5
293.21033	3.7
303.04959	1.8
303.26761	3.5
331.26239	36.4
332.26770	1.1
349.27344	10.6
367.24719	2.1
382.89380	0.9
405.29861	1.6
423.30975	100.0
424.31244	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
53.66736	0.6
55.01864	2.5
55.05500	14.0
57.03436	4.9
57.07062	2.7
59.05002	3.9
59.95782	0.7
61.94826	0.5
65.03929	2.6
67.05493	100.0
68.05847	1.5
69.03434	1.2
69.06681	1.1
69.07056	12.2
69.53942	0.6
70.23221	3.1
71.04987	3.4
73.02914	0.6
79.05022	0.9
79.05482	23.7
81.03409	2.1
81.07043	49.8
82.07366	1.2
83.04973	2.8
83.08603	10.6
85.02882	1.5
85.06523	3.6
88.24619	0.6
91.05464	14.6
93.05457	0.6
93.07026	26.0
94.07347	0.9
95.04957	3.2
95.08589	15.9
96.08978	0.8
97.06503	4.7
97.10157	1.8
99.04462	0.7
99.08078	1.5
105.07012	5.8
107.01265	0.6
107.08573	16.1
109.06493	2.9
109.10138	59.3
110.10471	1.3
111.08073	5.6
113.05988	1.1
117.07011	4.4
119.08563	7.7
121.06538	1.0
121.10123	10.2
123.08046	2.4
123.11691	2.3
123.65919	0.7
125.09615	1.3
129.06967	0.8
131.08575	5.1
133.10101	8.5
135.08075	1.2
135.11682	6.0
137.09592	2.8
139.11159	1.0
143.08525	0.8
145.10135	1.8
147.11636	3.2
149.13239	16.6
151.11185	0.9
153.01929	0.8
155.10632	3.6
157.10088	0.9
159.11656	7.1
161.13228	1.4
173.11723	18.8
173.13159	1.0
177.12732	3.6
177.16359	0.7
179.14212	1.5
187.14792	1.6
189.16481	0.7
195.13763	8.6
203.17973	1.0
211.03957	1.0
213.14757	0.6
225.05472	1.3
245.04437	1.2
257.04379	8.0
258.04898	0.7
260.03174	2.2
261.03876	2.1
263.01767	1.4
271.06027	3.6
273.03888	32.4
274.04419	4.8
281.04489	1.0
285.03860	4.1
285.06854	0.6
295.06140	0.8
297.03806	1.3
299.05435	7.5
300.05795	1.1
303.04938	18.6
304.05261	1.7
313.06924	2.4
323.05518	1.7
327.04962	11.8
328.05280	1.5
331.25931	1.6
339.04968	5.4
351.04916	3.8
352.05127	0.7
357.05942	3.8
369.05984	4.7
370.06290	1.0
387.07080	4.2
388.07156	1.4
405.08038	2.7
405.35376	0.7
423.27246	44.5
423.35315	3.3
424.27582	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80239	2.7
53.03935	9.5
55.01857	11.9
55.05505	23.6
56.96550	5.9
57.03441	7.5
57.07057	7.1
59.04985	3.4
59.38190	2.9
67.05495	100.0
69.03414	21.8
69.07059	21.0
71.01350	3.2
71.04974	8.7
71.71549	4.1
71.71911	3.2
72.38509	3.0
73.02877	6.6
79.05479	60.6
81.03403	21.2
81.07040	84.4
82.07384	3.8
83.04974	5.7
83.08604	11.1
85.02882	9.4
85.06522	6.3
85.63414	3.0
91.05463	39.9
93.07030	67.1
95.04976	10.7
95.08590	60.3
97.02885	48.9
97.06522	8.3
97.10128	3.9
98.97566	4.1
99.04446	28.6
105.07024	28.1
107.08575	40.9
109.02869	13.0
109.06512	12.6
109.10134	45.1
110.39366	3.4
111.08089	5.8
116.98551	4.0
117.06999	13.3
119.08561	24.7
121.06427	3.2
121.10125	41.5
123.08035	32.2
123.11714	10.8
127.03914	40.0
131.08563	19.9
133.10109	22.5
135.08038	6.8
135.11681	25.6
136.11977	4.2
137.09583	4.5
137.13332	3.2
143.08557	3.8
145.04886	5.6
145.10054	19.0
147.11665	16.1
149.09596	3.6
149.13252	19.3
154.40118	2.7
157.10178	3.8
159.10382	2.8
159.11639	14.4
161.09616	3.8
161.13264	9.2
163.14703	3.6
173.11710	8.1
173.13275	11.4
175.14799	5.1
177.12796	3.5
179.14290	59.2
180.14725	3.4
185.13292	4.8
187.14909	4.2
214.52347	3.3
221.15393	3.3
233.15195	3.4
240.67371	3.0
243.21071	8.0
245.04518	4.8
257.04391	17.2
259.20535	8.6
261.03763	6.7
261.22128	25.9
271.06052	6.7
273.03888	79.4
274.04404	10.2
275.19995	4.1
285.03922	8.7
297.13812	3.4
299.02237	5.3
299.05511	15.9
303.04892	36.1
304.05469	4.5
313.06940	5.9
327.04883	24.1
328.05191	3.6
331.26218	32.3
333.53162	3.7
339.04871	11.7
349.27386	10.4
351.04987	6.6
357.06131	9.6
369.06018	13.1
387.06937	8.2
405.08295	5.6
405.19943	4.4
423.14896	4.4
423.26932	41.1
423.31091	77.3
424.31604	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05370	3.1
53.03929	9.8
55.01849	5.0
55.05503	28.0
57.03422	11.8
57.07045	3.6
58.24130	3.2
67.05495	100.0
69.03422	41.3
69.07054	18.4
71.04976	10.4
71.70439	4.5
71.70827	5.1
73.02907	4.1
79.05481	59.0
81.03403	55.1
81.07047	97.1
83.04961	9.0
83.08615	10.8
85.02901	23.5
85.06522	6.2
91.05468	44.6
93.07035	76.8
95.04965	9.7
95.08595	55.1
96.36572	3.2
97.02876	16.4
97.06506	7.8
97.10162	5.6
99.04439	8.6
99.08136	3.5
101.67562	3.5
103.03989	3.5
103.41403	3.5
105.07015	34.7
107.04932	8.3
107.08564	37.9
109.02824	8.2
109.06519	11.0
109.10155	42.9
111.08112	5.5
113.96329	3.6
114.95458	3.3
117.06992	19.3
119.08576	34.1
120.53157	4.0
121.10109	34.2
122.01650	3.6
123.08058	21.6
123.11676	9.9
127.03927	7.8
129.06960	12.5
131.08539	26.7
133.06461	4.3
133.10136	23.2
135.07999	9.8
135.11652	20.6
137.09612	4.0
143.08565	7.9
145.10126	14.7
147.11676	15.7
149.09583	6.0
149.13232	22.4
157.10077	7.9
159.11687	16.1
161.09555	4.2
161.13263	12.2
163.14804	6.3
165.12723	3.5
169.10133	4.8
171.11693	4.8
173.11870	4.9
173.13268	15.0
179.14246	22.5
187.14775	5.6
199.14755	4.2
219.02933	3.8
239.96252	4.1
243.21297	5.0
245.04274	4.4
257.04388	15.3
259.20590	8.4
261.22098	21.2
271.06100	5.0
273.03906	62.7
274.04309	9.7
277.21616	5.4
285.03937	7.7
289.21655	6.1
299.05463	8.9
303.04950	36.1
303.23209	8.5
327.04965	18.3
331.26257	13.0
339.05154	4.2
346.06577	3.6
349.27264	5.0
351.04834	4.3
357.05780	8.2
369.05969	10.6
369.24286	11.0
387.07062	10.2
387.25156	12.5
398.72198	3.8
405.07578	4.0
405.26315	12.0
423.27032	19.7
423.32071	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	423.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02876	2.0
97.02880	0.7
98.20665	1.3
103.03938	0.7
109.02849	0.7
153.01775	2.0
171.04459	1.3
173.20717	0.6
201.05540	1.1
211.03859	2.0
217.04895	0.9
219.02940	1.9
221.05876	0.8
225.05478	2.4
229.04900	2.7
239.03404	1.2
243.02824	0.7
243.06575	1.2
245.04404	1.8
249.05557	0.8
253.04926	2.2
257.04428	16.6
258.04828	0.8
260.03055	3.3
261.03882	4.6
263.01855	1.8
267.02896	1.2
267.06241	0.7
269.04242	1.1
271.05978	7.2
273.03888	100.0
274.04480	5.3
277.04895	1.8
281.04419	3.0
285.03946	9.6
285.07178	1.0
287.01837	0.8
287.05350	1.0
295.06070	4.2
297.03949	2.2
298.04605	0.8
299.01859	2.3
299.05444	20.6
300.05673	0.8
303.04950	52.7
304.05215	2.7
310.04550	0.7
311.05463	2.9
313.03772	1.2
313.07001	7.9
323.05402	3.9
325.03540	1.3
327.04926	31.9
328.05276	1.4
339.04947	15.4
340.05032	1.0
341.06488	2.0
351.04977	11.3
357.05957	10.2
369.06018	16.2
370.06241	0.8
380.16730	0.7
387.07022	15.0
388.07635	1.1
405.08020	4.7
423.09521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0916
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
53.86142	1.0
55.01852	1.0
56.45147	0.9
60.64177	0.8
65.03925	4.2
69.68755	4.7
69.69186	2.3
85.02863	1.7
97.02887	1.1
98.21423	2.0
103.03891	1.0
107.01277	1.2
109.02838	1.2
111.04428	3.1
113.26486	0.9
121.02852	63.7
121.03928	3.6
122.03219	1.2
153.01825	3.4
155.04845	3.0
171.04398	1.2
173.05850	1.2
183.04401	2.3
187.03880	7.4
191.85841	1.0
197.05969	1.9
201.05495	2.6
211.03932	8.1
215.03354	3.5
216.63596	1.0
217.04810	1.3
219.02887	3.0
221.05836	1.6
225.05388	3.6
229.04926	6.6
239.03403	1.5
243.02930	6.5
245.04456	3.4
253.04988	2.8
256.03769	1.2
257.04425	46.7
258.04874	1.9
260.03186	5.9
261.03925	49.4
262.04337	1.8
263.01898	1.4
267.02896	3.2
267.06274	1.4
269.04547	1.0
271.03055	1.2
271.06021	8.9
273.03894	100.0
274.04486	7.2
277.04904	1.3
281.04349	4.2
283.05814	1.1
285.03915	44.7
285.07190	2.1
286.04468	1.2
295.05942	4.0
297.03970	4.0
299.01880	3.4
299.05392	24.7
300.05905	1.2
303.04959	65.5
304.05197	2.8
310.04736	1.6
311.05554	2.1
313.06985	7.4
323.05389	2.6
327.04959	33.6
328.05179	1.6
334.13095	1.4
339.04977	15.4
341.06461	2.4
351.04889	10.9
357.06039	9.8
369.06027	15.8
387.07108	14.1
387.27475	1.4
389.80444	1.1
405.08051	6.3
409.44266	1.3
423.09302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0915
Annotation	Mangiferin
Peak:m/z	Relative Intensity
53.96162	1.0
57.28711	1.0
65.69439	1.0
69.38146	1.2
69.38373	5.5
69.38790	6.3
69.39344	0.9
79.01836	1.2
85.02896	1.7
110.36776	1.2
113.90210	1.0
153.01790	1.7
153.88051	1.0
162.36511	0.9
187.03975	2.2
205.04883	1.7
211.03937	2.3
213.05350	1.2
215.03262	1.4
217.04984	3.3
225.05470	3.0
228.04239	3.0
229.04961	1.9
231.02875	4.0
232.03932	1.2
233.04460	3.8
239.03307	2.2
239.07034	1.6
243.02972	1.2
243.06342	1.7
244.03610	1.2
245.04390	7.5
246.05247	4.3
249.03867	5.8
253.04941	3.0
256.03687	3.3
257.04459	12.0
260.03064	5.6
261.03928	6.8
267.02829	2.0
267.06424	2.0
269.04410	2.1
271.05978	2.1
273.03903	100.0
274.04663	23.5
275.05292	1.8
280.03748	1.4
281.04349	2.4
285.03931	17.6
287.05426	9.0
295.05887	3.1
297.03860	2.0
298.04752	2.6
299.05414	11.1
301.03406	2.7
303.04965	75.6
304.05408	1.5
311.05685	1.6
313.06976	15.2
315.04965	2.1
323.05688	1.6
327.04947	31.2
327.08292	1.1
328.05005	1.3
333.06021	2.3
339.04922	4.6
341.06497	4.1
351.04797	4.9
351.80237	1.1
357.06015	17.5
369.06021	13.8
370.06598	1.2
387.07065	26.9
388.07275	1.4
405.08109	28.1
406.08344	1.3
423.09167	34.5
424.09558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03426	0.8
66.03119	0.8
69.75341	2.1
69.75759	2.9
76.60948	0.6
81.03407	1.5
83.93505	0.8
85.02895	2.3
89.14690	0.8
103.03941	1.2
107.01344	0.8
109.02868	0.8
121.02806	0.8
153.01801	3.0
158.34850	0.7
169.02782	0.8
171.04314	1.1
193.06503	0.9
197.05905	1.2
201.05453	1.5
211.03864	4.4
219.02852	2.0
221.05885	2.0
225.05408	4.0
229.04935	4.3
238.30542	0.9
245.04483	3.7
253.04918	2.6
257.04425	23.5
258.04810	1.8
260.03067	5.4
261.03909	5.1
263.01797	1.4
267.02902	1.7
271.02658	1.6
271.05981	8.2
273.03897	100.0
274.04404	6.6
277.04895	2.0
281.04456	3.6
285.03915	12.6
285.07138	1.2
286.04532	0.9
287.01923	1.2
295.06073	3.8
297.03857	4.2
299.01840	3.4
299.05383	22.5
300.06189	0.9
303.04956	52.1
304.05267	1.7
310.04541	0.9
311.05429	2.3
313.06992	8.4
321.04047	0.9
323.05502	4.9
327.04956	27.2
328.05273	1.8
339.04941	16.9
341.06174	1.0
351.04984	11.1
357.06000	7.9
369.05957	12.4
387.02631	1.1
387.07101	12.1
405.08072	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.091
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
55.01849	1.1
57.03413	0.5
61.02899	0.5
68.94662	0.5
71.60921	0.6
77.39799	0.4
77.89663	0.4
77.93946	0.4
81.03407	0.7
83.01257	0.4
85.02885	2.4
102.09502	0.4
107.01286	0.9
109.02873	0.9
119.04951	0.4
137.02321	0.4
153.01816	2.4
155.04907	1.0
169.02885	0.8
171.04362	1.1
183.04433	0.6
187.03955	0.5
194.96509	0.4
197.05971	1.1
201.05479	1.6
207.10013	0.5
211.03848	3.4
215.03339	1.0
219.02867	1.9
221.05937	1.8
225.05458	3.9
227.03398	0.8
229.04942	2.7
239.03357	0.7
239.06978	0.9
243.02763	0.9
243.06461	0.7
245.04367	3.0
248.65681	0.4
249.05441	0.6
253.04852	2.0
257.04407	23.2
260.03058	3.9
261.03989	5.4
263.01819	1.4
267.02802	1.1
269.04382	1.1
271.02426	1.3
271.05960	7.0
273.03885	100.0
274.04465	5.1
277.05002	0.6
281.04456	2.6
283.06006	1.3
284.03088	0.5
285.03912	11.9
285.07443	1.3
286.04297	0.7
287.02014	0.5
287.05392	1.0
293.04489	0.7
295.06033	4.5
297.03915	2.7
298.04608	0.6
299.01840	2.5
299.05411	22.3
300.05682	0.6
301.03503	1.0
303.04941	53.0
303.40683	0.5
304.05234	2.0
310.04538	0.6
311.05295	2.6
313.07034	7.3
323.05374	3.7
325.03244	0.6
327.04932	29.0
328.05270	1.3
333.03931	0.4
339.04935	16.0
339.09067	0.8
340.05234	1.1
341.06436	1.7
351.04895	10.0
357.05948	9.1
358.06345	0.7
369.05988	14.4
370.06421	1.1
387.01959	0.7
387.07031	13.9
388.07349	0.9
405.08160	3.7
423.09357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44979	1.9
53.03933	4.4
55.05491	9.9
56.68668	2.1
57.07061	4.4
57.80162	1.8
67.05187	2.8
67.05496	34.8
67.49840	2.5
69.07056	24.6
71.71475	2.8
71.71856	2.7
79.05486	21.7
81.06611	2.9
81.07044	41.2
83.02491	1.9
83.08606	8.6
91.05453	17.5
93.07028	34.3
95.04958	3.7
95.08008	4.5
95.08595	61.3
97.10093	3.2
105.07012	39.3
106.94974	2.0
107.08575	49.5
109.10144	48.3
112.01994	2.0
113.00003	58.2
117.06994	7.2
119.08575	53.5
121.06466	2.6
121.10120	27.0
123.11651	8.4
129.06979	4.4
130.07777	2.6
131.08557	24.7
133.10107	33.5
135.07997	3.5
135.11684	15.8
137.86401	2.2
142.07751	6.8
143.08530	14.2
144.09320	3.3
145.10095	39.0
147.11659	21.6
149.13234	9.1
155.08549	6.4
156.09317	9.7
157.08876	2.9
157.10115	36.0
158.10814	4.1
159.11665	33.6
161.09604	3.1
161.13271	20.6
163.14867	3.2
169.10068	13.8
170.10851	10.0
171.11664	29.1
172.12411	3.2
173.13234	24.6
175.14778	15.0
181.10068	3.5
183.11694	10.2
184.12401	12.6
185.13232	22.5
187.14796	32.0
189.16306	9.3
191.14244	2.2
195.11626	4.2
197.13228	7.7
199.14793	100.0
200.15256	4.4
201.16374	94.1
202.16733	2.8
203.17908	5.1
205.15851	3.1
209.13200	6.6
211.14763	10.3
213.16296	16.9
215.17931	8.2
217.15807	8.5
217.19507	3.6
219.17435	6.3
223.14836	6.1
225.16342	9.1
227.17853	3.1
229.19513	3.0
231.17400	4.6
232.33385	2.5
235.14911	2.6
237.16388	6.1
239.17934	8.0
241.19447	6.2
243.20987	4.6
251.17900	7.9
253.19563	2.8
265.19431	6.0
267.21005	3.5
279.21066	3.8
281.22690	3.8
293.22525	8.0
295.24197	26.6
313.25143	6.5
321.25687	4.9
333.25720	3.0
403.28369	4.3
403.33548	61.1
404.33942	6.1
421.29684	4.1
421.34622	47.4
422.34689	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.78754	2.3
55.05490	11.1
57.07056	4.3
65.03909	3.6
67.05487	36.7
69.07056	21.5
69.45617	24.0
79.05479	21.3
81.07041	49.7
83.08602	4.5
91.05447	16.5
93.07031	34.4
95.08592	57.1
105.07013	46.7
107.08578	42.5
109.10136	55.8
115.05412	2.5
117.07006	9.3
119.08552	38.5
121.10114	22.6
123.08029	3.8
123.11674	6.2
129.06996	5.2
131.08549	19.7
133.10086	27.5
135.08011	3.0
135.11676	18.4
142.07785	7.5
143.08511	13.7
145.10094	31.1
145.29553	2.6
147.11647	24.2
149.13239	6.0
155.08527	5.6
156.09293	8.4
157.10092	25.9
158.10835	3.7
159.11649	39.2
161.13237	22.7
169.10127	14.8
170.10857	8.6
171.11661	21.7
172.12431	3.7
173.13258	18.4
175.14824	9.6
183.11646	12.1
184.12457	10.6
185.13240	19.7
187.14799	20.9
189.16399	9.0
197.13232	10.3
199.14781	88.6
200.15224	5.8
201.16347	100.0
203.17825	2.9
205.15794	3.8
209.13246	5.0
211.14792	9.9
213.16328	22.6
215.17929	7.0
217.15880	11.0
217.19391	3.6
219.17442	4.4
221.13185	3.9
223.14760	7.4
225.16367	5.9
227.17950	5.1
228.51434	2.7
229.19479	2.8
231.17419	2.9
237.16214	5.9
239.17896	9.6
241.19446	4.2
246.91367	2.7
251.17964	5.3
252.18634	3.1
253.19514	4.8
265.19388	2.9
267.25586	2.7
274.36313	2.5
279.20990	4.0
281.22574	4.8
293.22583	7.7
295.24155	18.8
321.25620	6.6
326.59512	2.7
400.88162	2.6
403.33524	58.5
404.33679	4.7
421.29666	4.6
421.34625	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.0
55.05503	5.4
56.33679	1.7
57.07059	2.1
59.34937	1.3
64.25198	1.3
67.05492	10.8
69.03403	5.1
69.07066	9.2
79.05471	8.2
81.07037	20.8
83.08601	5.5
91.05441	8.8
93.07021	18.0
95.04966	2.3
95.08592	32.6
97.06506	15.5
97.10149	1.9
105.07010	18.9
106.07841	1.7
107.08574	36.8
107.09248	3.0
109.06493	6.1
109.10134	14.3
111.08039	2.4
112.99998	100.0
117.06992	3.3
119.08555	26.8
121.10125	28.3
123.08055	2.2
123.11671	7.3
125.09592	3.7
129.06892	1.5
131.08568	8.8
133.10101	22.7
135.08043	2.5
135.11667	14.3
137.09612	2.4
142.07715	1.7
143.08563	5.8
145.10103	16.0
147.11667	18.8
149.13206	7.3
152.84270	1.6
156.09395	1.6
157.10130	9.3
159.11679	20.4
161.13313	9.0
164.73489	1.6
169.02573	3.3
169.10034	2.0
171.11707	6.1
173.13269	12.3
175.14865	7.3
177.16396	2.9
183.11613	2.8
185.13199	4.4
187.14793	12.2
189.16393	6.1
195.07944	1.5
197.13277	3.5
199.14763	5.9
201.16367	24.3
203.17889	7.9
211.14830	2.6
213.16336	7.9
215.17963	8.2
227.17923	2.0
229.36615	1.9
255.21016	2.6
275.20020	4.8
403.33585	5.4
421.29147	2.4
421.34613	35.3
422.35028	2.0
423.12347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.7
55.05496	16.7
55.58019	1.4
57.03421	11.8
57.07065	10.9
65.42672	1.2
67.05490	26.0
69.03416	1.6
69.07056	33.4
70.01494	7.2
71.04993	3.1
71.08608	2.9
77.91309	1.3
79.05482	19.5
81.07040	36.7
83.04974	4.4
83.08597	11.1
85.06536	8.5
91.05474	11.4
93.07027	30.8
95.04945	5.7
95.08590	31.8
97.06514	11.0
97.10152	2.2
98.21453	1.9
99.08062	3.4
105.07013	13.4
107.04866	1.5
107.08574	32.4
107.09242	2.5
109.06497	18.3
109.10133	13.6
109.60035	1.2
111.04417	7.5
111.08067	3.6
112.99989	5.5
117.07027	2.1
119.08559	14.8
121.06475	1.4
121.10133	13.9
123.08047	14.4
123.11698	3.3
125.05983	6.0
125.09578	2.5
131.08551	5.1
133.10092	8.7
135.08046	21.4
135.10722	2.5
135.11649	16.9
137.05949	19.3
137.09586	3.2
137.13283	2.0
139.07536	1.8
143.08540	4.1
145.10124	5.9
147.11685	5.6
149.09618	4.1
149.13226	4.3
151.07481	9.2
151.11186	2.3
153.12708	4.6
157.10112	4.0
159.11664	3.4
161.09654	3.6
161.13242	3.6
163.11172	3.8
163.14795	2.8
165.09154	2.1
165.12776	6.5
167.14337	3.7
171.11671	2.5
173.13168	1.4
175.11176	3.3
175.14809	1.7
177.12733	4.9
179.14284	5.3
181.12244	8.1
185.13329	1.3
187.14787	3.9
189.16408	1.4
193.12296	2.0
195.13786	1.7
199.14862	4.6
201.16411	3.7
203.18033	1.4
205.15916	2.0
217.14240	1.5
219.13699	1.3
219.17520	1.8
221.18947	2.1
235.20584	5.3
237.99455	1.3
249.18513	3.2
263.20099	5.3
277.21613	1.3
287.23706	2.3
291.19562	1.4
300.34998	1.3
301.25311	1.6
303.19327	2.0
305.24689	86.0
306.25208	6.4
311.23602	1.4
319.26294	31.2
320.26682	2.6
329.21255	1.5
329.24667	6.7
347.25745	100.0
348.26233	7.8
365.26822	12.5
393.30048	9.3
403.28275	5.7
403.33212	2.0
421.29391	44.0
421.34717	10.3
422.29718	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	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68261	1.0
53.03920	1.0
55.01859	3.8
55.05502	8.4
57.03432	8.9
57.07066	38.9
66.01064	1.0
67.05492	15.0
69.07055	10.8
69.13416	0.8
70.40912	1.9
70.41322	3.3
71.04974	1.4
79.05467	10.0
81.07041	24.6
83.04965	3.2
83.08599	3.2
85.06532	18.1
91.05472	6.0
93.07030	14.3
95.04948	2.4
95.08583	18.7
97.06506	4.5
97.10141	1.0
98.53214	0.8
105.07010	7.6
107.08574	15.4
109.06508	17.6
109.10135	7.1
111.04425	3.5
111.08073	3.4
117.06989	1.1
119.08562	8.0
121.06503	1.3
121.10142	8.4
123.08052	11.5
123.11710	2.6
125.05990	3.5
131.08585	3.0
133.10081	5.6
135.08025	15.2
135.11665	5.0
137.05956	25.0
137.06993	1.5
137.09567	1.7
137.13286	2.1
139.07503	1.8
142.07808	0.9
143.08543	1.5
145.10107	4.2
147.08018	1.4
147.11694	4.1
149.09624	3.0
149.13246	2.7
151.07527	8.0
151.11159	3.6
153.12720	3.1
157.10039	1.8
159.11684	1.3
161.09631	3.6
161.13203	3.2
163.11180	1.8
163.14786	1.4
165.09102	1.7
165.12730	10.2
171.11678	1.1
173.13242	2.1
175.11162	3.4
175.14793	1.3
177.09174	1.3
177.12715	7.5
179.10689	1.6
179.14241	5.0
181.12193	0.9
189.12772	1.0
191.14285	2.8
193.12253	2.6
203.17883	1.4
207.13773	9.6
233.19006	3.7
241.15837	1.0
261.18472	0.9
263.19925	5.3
264.46887	0.9
277.18073	2.0
277.21683	0.9
277.58337	1.0
291.19485	1.2
301.25134	1.2
305.24750	2.5
311.23837	1.0
319.26230	13.4
329.21365	1.2
329.24536	5.0
337.27322	5.3
343.56396	1.0
347.25751	100.0
348.26138	7.0
365.26859	18.6
366.27032	1.5
393.29941	11.7
394.30301	1.2
403.28378	3.8
421.29453	57.1
422.29819	3.6
437.85818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01867	8.9
55.05502	18.5
57.03437	11.5
57.07073	18.0
67.05497	30.4
69.03425	3.0
69.07062	30.5
71.04985	3.5
71.08611	2.7
79.05486	26.1
81.03384	4.1
81.06606	3.1
81.07052	40.4
81.49738	1.9
83.04986	6.1
83.08607	8.3
85.02920	2.1
85.06526	8.0
91.05467	17.4
92.73273	1.9
93.07037	31.0
95.04975	7.3
95.08594	37.2
95.54466	1.8
96.08894	2.3
97.06522	14.5
97.10168	4.6
99.08085	3.7
105.07015	20.8
107.08582	32.9
109.06504	21.4
109.10149	17.3
111.04420	4.3
111.08092	6.9
112.99973	9.2
117.07036	4.3
119.08554	16.1
121.06498	3.7
121.10136	14.5
123.08060	16.6
123.11695	5.5
125.05997	7.0
129.07008	3.1
131.08574	7.4
133.10078	11.0
135.08034	74.1
135.09073	3.8
135.11656	16.7
137.05963	18.6
137.09616	4.6
137.13219	3.5
139.07497	2.9
143.08566	3.8
145.10107	13.4
146.10736	1.9
147.08051	3.6
147.11708	7.5
149.09607	10.7
149.13280	6.6
151.07561	6.9
151.11217	3.4
153.12738	4.6
156.09265	2.1
157.10037	2.2
159.07999	2.1
159.11725	7.1
161.09589	9.4
161.13210	4.5
163.21030	1.9
165.12767	5.6
167.14323	3.0
171.11729	4.6
173.09801	2.1
173.13260	4.9
175.11153	3.4
175.14841	5.0
177.12730	25.7
179.14319	4.3
181.12257	6.5
185.13284	2.8
189.12781	2.3
191.14331	4.0
193.12300	3.8
199.14851	4.0
201.16422	2.9
203.14339	2.9
203.17999	2.2
205.15906	3.6
207.13828	2.9
208.13307	1.8
221.18878	4.5
233.95609	2.0
235.20569	3.6
263.20090	3.2
305.21188	4.7
305.24686	57.6
306.25046	3.6
319.26291	21.2
329.24686	16.9
330.25092	1.9
337.27106	3.9
347.25793	93.3
348.26144	4.9
365.26910	8.7
366.32816	1.8
393.30121	7.4
403.28555	5.3
421.29544	100.0
421.34271	5.1
422.29742	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	421.294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28440	2.1
55.01855	4.1
55.05491	7.1
67.05480	12.3
69.07059	17.3
71.04977	2.6
79.05489	12.6
81.03390	3.7
81.07046	38.4
83.08595	3.6
91.05458	11.0
93.07023	9.9
95.04935	2.3
95.08601	11.6
97.06517	3.9
105.07019	10.9
107.04944	3.5
107.08559	8.4
109.06496	11.8
109.10132	5.6
112.99997	100.0
117.06969	2.8
119.08562	10.4
121.10171	3.1
123.08045	3.6
123.11708	3.1
129.06982	3.6
131.08556	5.5
131.79774	2.5
133.10094	6.8
135.08035	3.5
135.11685	3.5
139.07201	2.3
145.10083	6.4
147.11646	9.7
149.09616	4.1
159.11592	3.0
163.11217	4.0
169.02589	2.4
172.88724	2.2
173.13257	2.8
239.17880	3.1
275.20010	19.9
307.22546	5.6
314.78467	2.9
421.29114	3.4
421.34415	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	421.2577
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02362	3.2
53.03928	11.1
55.01860	8.0
55.05500	36.3
57.03433	13.2
57.07066	5.8
61.02900	3.0
65.03920	5.5
67.05495	84.5
69.03419	20.8
69.07053	29.5
70.06573	3.8
71.04977	8.9
71.71608	4.0
73.02895	4.7
79.05482	71.3
81.03401	29.2
81.07046	75.6
82.69736	2.5
83.04972	10.5
83.08595	13.8
85.02898	26.3
85.06522	9.3
87.04471	3.5
91.04920	5.6
91.05466	87.5
92.20095	2.4
93.07032	84.9
95.04951	24.5
95.08591	53.2
97.02899	18.7
97.06517	9.2
97.10131	7.8
99.04427	6.8
99.08069	3.7
103.05459	4.1
105.07014	100.0
106.07343	4.6
107.04924	8.3
107.08574	45.1
109.06496	11.3
109.10138	26.6
111.04433	8.6
111.08086	5.4
112.99989	8.1
113.10210	2.7
115.05452	7.7
116.06168	2.6
117.07000	44.8
117.59630	2.7
119.08563	72.4
119.09405	3.5
121.06491	9.3
121.10131	32.6
123.04449	5.3
123.08053	9.2
123.11685	5.7
125.05994	2.5
125.09624	3.8
127.03859	5.5
128.06178	6.8
129.07010	29.7
131.08556	65.3
133.06395	6.2
133.10109	56.9
135.08034	11.7
135.11662	21.5
137.09706	4.7
141.06999	11.3
142.07756	5.6
143.08566	29.3
145.06448	9.9
145.10107	50.7
147.07994	7.7
147.11673	42.1
148.12071	2.6
149.09592	7.1
149.13229	10.4
151.11099	3.3
153.06932	4.6
155.08498	14.3
156.09377	3.7
157.06465	4.4
157.10081	28.2
159.07999	6.0
159.11676	49.9
161.09637	12.0
161.13268	23.0
163.11174	6.8
163.14775	3.6
167.08565	4.8
169.10110	18.9
171.11674	29.3
173.09570	6.4
173.13237	29.0
175.07663	3.2
175.11154	7.1
175.14790	10.6
177.12735	5.7
181.10095	5.6
183.11731	13.8
185.09596	6.6
185.13194	25.5
187.11197	4.7
187.14793	9.5
189.12738	8.4
189.16344	4.1
193.10196	2.9
193.12195	3.4
195.08023	3.5
195.11673	8.0
197.09555	4.3
197.13240	9.9
199.11208	5.5
199.14764	14.3
201.12767	5.5
201.16386	5.0
203.14362	4.2
209.13222	2.9
211.11198	4.7
211.14781	4.2
213.12723	5.2
213.16429	5.5
215.17741	2.4
217.15865	4.3
223.11127	3.2
225.12758	3.0
225.16283	4.0
227.14368	4.6
229.15871	2.8
231.20970	5.7
239.17941	4.3
241.15652	2.8
241.19479	15.2
247.16801	2.8
253.19368	3.2
255.21086	3.6
257.18887	16.6
259.20554	43.9
265.19629	3.1
269.19009	4.0
271.20590	18.4
273.21991	6.3
275.20120	14.6
277.21744	4.8
283.20566	6.4
285.21930	4.3
287.20013	4.6
289.21545	11.1
299.20090	3.1
301.21683	31.0
307.20828	3.3
311.20074	4.4
313.21524	8.3
317.21176	3.9
319.22537	3.4
325.21597	4.0
329.21042	19.6
329.24780	3.6
331.22815	4.1
339.23178	7.8
343.22513	6.6
349.21634	8.5
357.24057	3.9
367.22647	37.1
385.23740	31.7
403.19305	3.2
403.24734	55.2
404.24811	3.9
421.25674	77.5
421.34433	3.8
422.25882	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.5
55.01860	17.6
55.05504	35.1
57.03419	14.7
57.07080	5.8
61.02891	9.0
65.03916	6.9
66.59629	5.7
67.05496	95.0
67.87704	6.0
69.03419	30.0
69.07056	24.4
70.06568	10.5
71.04974	16.5
73.02879	5.3
79.05486	84.3
80.16963	5.0
80.77264	4.8
81.03387	28.7
81.07054	81.8
83.04979	11.8
83.08617	11.2
85.02891	14.1
85.06505	10.1
91.05470	100.0
93.07027	85.4
95.04953	36.3
95.08599	68.8
97.02874	49.4
97.06543	8.1
97.10139	12.1
98.20747	12.9
99.04429	15.1
105.07021	85.8
107.04950	20.2
107.08575	48.4
109.02881	16.9
109.06509	12.2
109.10143	33.1
111.04418	9.0
111.08067	13.6
113.00043	28.6
117.07036	28.0
119.08583	75.0
121.06477	18.3
121.10130	31.3
123.08057	5.8
127.03872	32.4
129.06982	27.7
131.08546	48.9
133.10115	66.7
135.08043	14.4
135.11681	26.4
137.09619	7.2
141.06902	7.6
142.07790	6.5
143.08546	23.6
145.10109	48.5
147.07961	9.3
147.11656	34.6
149.09590	14.0
149.13254	18.1
151.11160	6.9
155.08517	9.2
156.13773	7.3
157.10094	21.3
159.11664	35.4
161.13235	18.4
169.10115	6.7
171.11667	22.4
173.09541	7.4
173.11789	8.0
173.13260	14.9
175.11227	11.1
177.12708	8.9
183.11681	12.2
185.13242	15.7
187.11255	8.2
187.14780	10.8
189.12738	9.4
197.13246	7.7
199.14771	6.4
203.14249	6.6
209.13274	7.5
229.12173	5.7
231.21040	7.8
241.19513	13.3
259.20538	56.6
275.20248	9.4
277.21637	9.5
301.21713	8.4
329.21085	32.0
367.22433	9.8
385.23636	17.7
403.24918	32.1
421.25812	69.0
421.35715	13.0
422.25839	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	421.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.5
55.01860	17.6
55.05504	35.1
57.03419	14.7
57.07080	5.8
61.02891	9.0
65.03916	6.9
66.59629	5.7
67.05496	95.0
67.87704	6.0
69.03419	30.0
69.07056	24.4
70.06568	10.5
71.04974	16.5
73.02879	5.3
79.05486	84.3
80.16963	5.0
80.77264	4.8
81.03387	28.7
81.07054	81.8
83.04979	11.8
83.08617	11.2
85.02891	14.1
85.06505	10.1
91.05470	100.0
93.07027	85.4
95.04953	36.3
95.08599	68.8
97.02874	49.4
97.06543	8.1
97.10139	12.1
98.20747	12.9
99.04429	15.1
105.07021	85.8
107.04950	20.2
107.08575	48.4
109.02881	16.9
109.06509	12.2
109.10143	33.1
111.04418	9.0
111.08067	13.6
113.00043	28.6
117.07036	28.0
119.08583	75.0
121.06477	18.3
121.10130	31.3
123.08057	5.8
127.03872	32.4
129.06982	27.7
131.08546	48.9
133.10115	66.7
135.08043	14.4
135.11681	26.4
137.09619	7.2
141.06902	7.6
142.07790	6.5
143.08546	23.6
145.10109	48.5
147.07961	9.3
147.11656	34.6
149.09590	14.0
149.13254	18.1
151.11160	6.9
155.08517	9.2
156.13773	7.3
157.10094	21.3
159.11664	35.4
161.13235	18.4
169.10115	6.7
171.11667	22.4
173.09541	7.4
173.11789	8.0
173.13260	14.9
175.11227	11.1
177.12708	8.9
183.11681	12.2
185.13242	15.7
187.11255	8.2
187.14780	10.8
189.12738	9.4
197.13246	7.7
199.14771	6.4
203.14249	6.6
209.13274	7.5
229.12173	5.7
231.21040	7.8
241.19513	13.3
259.20538	56.6
275.20248	9.4
277.21637	9.5
301.21713	8.4
329.21085	32.0
367.22433	9.8
385.23636	17.7
403.24918	32.1
421.25812	69.0
421.35715	13.0
422.25839	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	421.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68140	1.3
58.41028	1.3
58.99840	4.1
68.60808	1.4
71.04600	3.6
77.00889	3.5
82.55405	1.8
82.99827	3.2
89.00903	1.8
95.01979	2.1
97.02854	1.5
101.00861	29.0
102.00943	1.5
103.02424	6.2
109.01379	3.0
115.02430	8.1
117.03969	20.3
119.01898	90.9
120.02023	3.7
121.03467	2.9
126.98766	2.4
127.02409	11.7
129.03943	3.4
131.01895	13.7
133.03444	24.6
135.04985	14.2
137.02936	15.5
141.03947	3.4
142.03474	2.7
143.01889	11.7
144.99814	6.1
145.03439	100.0
146.03506	2.9
147.01349	6.7
147.04990	12.0
149.02902	3.9
151.04491	3.7
155.01938	1.8
157.03476	3.6
159.01401	4.9
159.04984	22.1
160.05197	2.2
161.02937	20.3
163.04510	32.1
165.02370	2.0
165.06067	3.6
168.05057	3.2
168.99756	4.8
169.03444	45.7
171.01360	21.8
171.05003	3.8
172.99315	5.7
173.02957	6.5
173.06592	2.4
175.00858	3.8
175.04506	5.0
177.02408	4.0
177.06079	5.6
179.03899	1.7
183.04996	3.3
185.02911	9.7
187.00909	13.8
187.04489	82.0
188.01129	1.8
188.04677	3.5
189.00696	2.3
189.02409	44.5
190.02650	2.6
191.00323	5.4
191.04015	5.3
195.01418	11.7
196.99184	1.7
197.02959	6.2
199.00844	8.6
199.02928	1.6
199.04474	10.1
201.02411	6.3
203.00313	2.3
203.04015	6.8
205.01944	4.0
207.03419	12.7
210.06050	4.5
211.04497	4.3
213.02422	40.2
213.05936	3.7
214.02496	2.3
215.00352	9.7
215.03976	8.7
217.01932	26.3
217.05472	11.1
219.03485	8.3
221.01407	1.8
221.05060	1.7
225.02435	6.1
227.04027	6.3
228.26430	2.1
229.01993	9.5
229.05518	3.9
231.03438	31.4
233.01382	5.4
236.04066	2.5
239.00339	7.2
239.03987	4.0
241.01859	8.4
241.05574	3.3
243.03488	7.9
245.01474	2.3
245.05006	9.6
247.02892	10.2
251.02499	8.1
253.01970	3.5
255.03444	5.3
257.01361	10.2
257.04953	11.0
259.02899	5.2
261.04523	5.2
265.04068	3.2
266.99841	3.2
269.01331	3.0
271.02878	2.7
273.04437	10.7
275.02515	26.6
275.05862	2.9
283.02774	2.6
285.01086	3.9
285.04483	5.1
287.02435	5.1
289.03891	3.5
293.03433	6.8
299.02432	5.2
301.00342	14.7
301.03976	11.2
302.00519	1.6
303.01907	3.5
305.03595	4.6
307.04947	1.8
313.00342	5.0
315.02115	3.0
315.05518	12.8
317.03522	5.4
319.05084	2.2
328.99753	3.9
329.03433	2.4
331.01474	5.4
333.02872	6.2
333.06650	9.8
335.04565	4.2
341.03363	3.6
343.01410	2.4
345.03043	5.6
347.00919	2.1
355.63824	1.7
359.04605	6.3
361.02469	22.8
362.02850	2.5
373.02780	4.9
377.05484	2.0
385.02521	2.6
391.03287	8.7
403.03580	8.0
421.04419	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	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39672	2.7
57.03418	22.1
59.04982	3.6
61.02901	3.2
63.12762	2.8
69.03039	4.4
69.03416	75.4
69.38172	33.9
69.38512	5.5
71.14835	2.5
73.02893	4.3
75.44888	2.8
81.03391	4.5
85.02891	44.9
87.04450	47.0
91.05463	100.0
91.06036	5.1
91.36105	2.9
92.05754	3.3
97.02872	64.7
98.21479	6.6
101.33317	3.1
105.07006	6.2
107.04938	5.1
111.04389	3.1
115.03912	78.8
127.03880	6.0
133.03943	5.4
133.04944	84.2
145.04935	11.9
150.07637	14.5
213.63814	3.4
223.09654	11.1
273.03885	4.6
277.09167	3.5
289.03418	5.4
315.04929	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01859	4.1
55.05505	2.5
56.05029	8.2
56.96550	1.2
57.03413	3.6
58.99584	12.2
61.01154	1.1
67.05478	1.8
68.05021	1.4
69.03426	2.4
69.07066	2.7
70.02922	1.9
70.06578	5.6
71.04984	1.7
71.70017	1.4
72.08133	3.0
73.01135	2.1
74.00665	2.9
76.02217	23.5
79.05474	6.0
80.05004	1.8
80.95524	1.0
81.03430	2.0
81.07045	17.8
83.06097	2.3
84.03992	1.7
84.04490	24.4
84.08125	3.5
85.01118	2.6
85.02888	5.9
86.00634	4.6
86.09699	5.2
86.99043	8.3
87.02673	5.9
88.02206	2.3
88.03989	1.7
90.05544	7.0
91.05453	1.5
93.07042	1.3
93.92743	1.0
94.06545	1.3
95.04930	1.4
95.08595	6.3
96.08080	1.8
97.01102	1.1
97.02864	1.8
97.06496	2.9
98.09686	11.0
99.08075	4.1
101.00574	1.0
105.07021	3.7
106.02893	3.1
107.04935	1.5
108.08094	2.0
110.09669	3.7
112.03951	4.9
113.04202	5.2
114.03748	2.1
115.05766	2.7
116.01663	30.5
116.07071	8.4
120.08075	1.5
121.02842	1.5
121.06464	1.8
122.09682	1.4
123.08064	4.4
124.03939	5.9
129.06578	2.9
129.10263	1.5
130.04958	5.4
130.06850	2.2
133.06548	1.2
137.05959	1.9
139.05743	2.1
142.03215	2.9
144.01109	17.6
144.06535	3.7
144.10225	1.5
149.09625	1.4
156.08406	23.8
157.06783	10.5
170.02664	1.8
170.11739	17.3
174.09457	17.1
176.03754	13.8
177.12711	2.6
193.06403	8.0
205.12157	3.0
210.11223	4.0
223.13269	4.4
230.08461	4.6
233.05925	1.9
241.09894	1.1
241.14299	5.1
244.60626	1.1
259.15375	1.3
268.08105	3.9
273.03897	2.3
273.12640	100.0
274.13104	3.0
285.12579	2.5
287.05536	2.1
288.05792	5.0
289.03320	1.8
300.05862	1.1
305.33780	1.1
313.12057	4.9
314.07257	1.6
322.68802	1.1
331.13275	6.4
342.07086	1.9
354.06696	1.4
373.13846	1.9
384.07773	1.3
384.23062	1.1
420.12650	1.8
420.17978	1.9
420.24652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.4
54.28004	3.3
54.73215	3.6
55.01866	9.2
55.05502	48.5
57.03425	7.1
65.03902	3.5
67.05495	76.7
69.03431	6.9
69.07058	44.1
69.85959	17.7
71.04986	3.9
79.05484	72.4
81.03431	7.1
81.07043	97.8
83.04984	8.2
83.08604	32.0
85.02905	4.1
85.06534	13.8
85.99111	3.8
91.05465	100.0
93.07028	81.9
95.04971	15.5
95.08601	52.4
97.06499	10.7
97.10146	8.0
99.08079	5.3
103.05466	7.6
103.81117	3.3
105.07009	75.1
107.04941	15.7
107.08569	44.9
109.06508	11.5
109.10128	21.5
111.08067	16.6
115.05453	8.6
116.06249	4.9
117.07003	59.2
119.08554	51.4
121.06482	13.2
121.10115	38.0
123.08018	11.2
123.11671	4.2
125.09570	8.8
128.06189	10.5
129.06987	65.0
130.07748	6.7
131.08540	92.5
133.06461	15.7
133.10089	31.0
135.08040	13.1
135.11668	12.8
137.09619	7.2
139.07489	4.2
141.06969	19.0
141.09087	4.1
142.07774	11.6
143.08537	55.1
145.06480	10.5
145.10117	40.1
146.44931	3.7
147.08006	15.0
147.11667	18.8
149.09631	9.5
149.13246	7.0
151.11099	3.8
153.06998	5.4
153.12827	3.5
155.08534	38.0
156.09229	3.4
157.08806	5.5
157.10115	34.1
159.08051	5.5
159.11673	28.3
161.13289	10.5
163.11168	10.7
165.07007	5.6
167.08559	15.0
169.10114	25.6
171.07976	4.2
171.11623	18.8
173.09567	8.6
173.13243	10.2
175.11247	8.7
177.12715	9.1
179.08470	6.6
181.10011	18.5
183.11728	20.7
185.09557	5.1
185.13258	9.7
187.11203	5.6
187.14845	11.0
189.11119	4.9
193.10104	7.6
195.11661	23.2
195.13367	5.1
197.13231	10.7
199.11107	6.7
199.14838	11.0
201.12729	4.4
207.11638	8.3
209.13254	11.8
211.14755	12.2
213.12666	5.1
213.16315	6.5
215.14374	6.5
219.13708	4.1
221.13214	10.4
223.14789	16.8
225.16286	4.8
227.14256	3.9
231.17519	6.1
233.15334	6.5
235.14841	8.2
237.16476	4.2
239.14238	9.1
241.15811	8.1
247.16963	10.2
253.15857	6.1
257.15363	7.1
259.16995	7.0
271.16885	6.8
285.18546	6.2
305.22781	4.6
309.22147	4.4
315.20956	4.6
323.23691	9.3
333.21985	18.7
341.24771	13.3
351.23135	44.3
357.27844	15.5
365.24475	5.0
365.28610	6.6
369.24261	45.6
372.46991	3.9
373.27191	4.3
383.25607	8.7
383.29861	7.8
387.25153	16.9
391.28458	4.6
401.26596	42.7
419.27805	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	419.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.3
54.81255	3.8
55.01857	11.4
55.05500	48.7
56.82537	3.8
57.03423	4.7
57.07047	7.0
62.03751	4.0
65.03924	7.9
67.05493	82.7
69.07054	48.9
69.50996	45.2
71.04965	8.1
77.03919	6.1
79.05477	76.7
81.03397	18.0
81.07040	100.0
83.04957	13.7
83.08611	42.9
85.02875	6.6
85.06521	7.7
85.22623	3.8
86.23256	3.8
91.05463	87.9
92.35561	3.9
93.07043	61.9
95.04951	21.2
95.08597	68.4
97.06515	14.7
97.10155	12.9
103.05434	5.5
105.07011	65.8
107.04923	13.5
107.08553	37.0
109.06486	9.9
109.10146	24.6
111.08061	9.0
112.99989	4.7
115.05441	14.9
117.06994	53.2
119.08569	48.3
121.06477	13.5
121.10133	24.7
123.08020	8.5
123.11687	9.2
125.09570	6.3
128.06183	11.0
129.06981	57.1
130.07803	5.8
131.08549	84.3
133.06474	7.2
133.10086	39.2
135.08012	13.6
135.11661	15.2
137.09653	5.0
141.07010	20.3
143.08551	44.7
145.06441	14.2
145.10089	47.0
147.08046	13.3
147.11653	15.3
149.09596	12.8
149.13208	7.9
154.07611	4.1
155.08539	29.4
157.06410	7.9
157.10085	25.5
159.06531	4.4
159.07980	9.6
159.10376	3.9
159.11670	24.1
160.12010	4.2
161.13124	5.7
163.11128	6.6
163.14925	5.4
167.08527	11.7
169.10098	18.9
171.11626	22.1
173.09630	6.4
173.13211	7.3
175.11111	9.7
178.18666	4.3
179.08549	6.7
181.10060	15.5
183.11676	17.9
185.13173	10.0
187.11134	8.2
187.14771	7.3
187.84171	5.0
189.12686	6.2
193.09964	4.4
195.11694	16.2
197.09753	6.2
197.13206	12.9
199.11018	4.9
199.14723	6.2
207.11734	8.4
209.13298	10.5
211.14764	10.7
213.12692	6.1
213.16373	6.5
219.11784	5.4
221.13243	10.9
223.14758	16.6
225.12839	5.1
225.16348	5.5
233.15305	10.8
235.14783	8.2
239.14261	8.2
241.15958	5.8
247.16885	4.7
269.15601	5.1
271.16849	7.7
323.23630	5.7
327.23163	18.6
333.22040	16.0
341.24881	9.0
345.24048	13.5
351.23212	43.7
369.24194	21.4
373.06592	5.4
387.25211	13.7
401.26880	24.0
419.27966	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	419.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01861	3.7
55.05501	21.9
57.03427	29.1
61.02617	3.1
61.02921	60.9
62.71867	2.5
64.60499	2.3
65.03920	3.7
67.05497	45.8
69.03414	26.4
69.07055	15.6
70.06586	12.5
70.94588	4.7
70.94937	5.6
71.01332	4.8
71.04974	5.9
72.08147	8.3
73.02903	28.7
79.05479	38.3
81.03399	15.7
81.07043	100.0
83.04972	11.3
83.08598	9.4
84.08127	10.6
85.02892	60.8
85.06523	6.1
86.09678	5.5
87.04429	2.9
91.03428	4.5
91.03944	40.9
91.05473	36.3
93.07028	20.4
95.04948	8.2
95.08597	25.8
97.02882	44.5
97.06509	6.5
97.10149	4.5
98.06032	4.6
99.04448	6.2
99.08088	4.3
101.02343	9.0
103.03912	9.7
103.05469	9.5
105.03364	7.9
105.07013	50.6
106.03689	4.9
107.04970	3.3
107.08595	21.2
109.02878	7.7
109.06505	4.0
109.10160	4.8
110.07060	2.4
111.08043	3.4
112.11228	4.8
115.03876	3.6
115.42499	2.4
116.98663	2.5
117.06955	3.4
119.08566	29.7
120.08109	2.9
121.06496	4.1
121.10128	17.1
123.08060	6.5
123.11679	11.8
125.09558	3.8
127.03907	22.3
129.05452	7.3
129.07056	2.4
129.10266	3.9
131.04904	53.4
131.08525	4.3
132.05232	26.6
133.06471	4.8
133.10098	4.3
135.08067	2.4
135.11682	4.4
136.07639	2.7
137.05957	5.2
137.13231	4.1
139.03874	3.5
144.12967	2.3
145.04918	7.0
145.10097	3.4
147.11670	59.4
149.05933	2.9
151.03896	3.0
162.09142	5.2
163.09445	5.4
165.05432	2.6
165.12726	50.1
167.07011	11.6
177.05402	5.6
181.04939	4.5
183.06621	5.7
188.10678	22.0
189.11034	24.3
193.08626	3.4
200.16461	8.9
201.16745	7.6
209.07944	2.9
226.18051	3.4
227.18300	4.5
239.16368	52.4
249.95007	3.0
257.17456	35.4
259.05118	4.6
287.05344	8.9
304.05164	4.4
305.05484	6.3
341.06439	3.3
347.06580	4.0
353.06256	2.5
401.29565	4.0
419.12286	22.0
419.22452	7.8
419.30893	96.7
420.13095	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	418.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.9
55.01860	21.1
55.05494	37.4
57.03410	35.3
65.84168	8.3
67.05488	64.7
69.03417	17.1
69.07063	89.7
70.06574	26.4
71.04976	31.1
72.08117	17.1
73.02892	11.0
79.05486	100.0
81.03397	25.0
81.07044	82.7
83.04951	20.6
83.08607	15.2
84.08129	9.8
85.02872	12.4
91.05466	67.6
93.07030	67.2
94.79308	8.7
95.04958	22.9
95.08587	35.5
97.06525	75.5
98.21421	17.8
105.07011	60.2
107.04932	23.1
107.08576	46.5
109.06498	19.9
109.10108	22.0
115.07548	60.7
117.07007	33.6
119.08564	35.1
121.06510	10.9
121.10107	21.6
123.04438	10.9
123.08022	11.7
129.06929	11.6
131.08528	41.6
133.06496	9.6
133.10126	29.9
135.08047	22.1
135.11690	18.8
143.08563	22.7
145.10144	13.4
147.11693	10.2
149.13208	11.5
153.62704	8.8
157.10042	11.6
159.11707	23.2
161.09590	10.9
167.07010	33.0
177.12700	11.9
235.16852	11.5
245.19032	16.3
259.42432	8.8
269.17422	15.2
272.46515	10.8
273.18478	35.6
291.19400	18.0
297.16806	17.8
337.09253	8.8
365.23129	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	418.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.8
55.01866	13.9
55.05503	40.3
57.03419	42.3
67.05499	86.3
69.03444	13.9
69.07063	100.0
70.06592	29.7
71.04977	46.7
71.09914	25.8
72.08150	18.2
73.02905	26.5
75.94009	12.4
79.05489	88.7
81.03394	18.7
81.07038	81.1
83.04976	13.0
83.08613	32.7
84.08119	19.1
86.09677	12.1
91.05474	70.6
93.07028	60.6
95.04945	37.4
95.08598	29.6
97.06508	58.6
99.08057	13.7
100.11229	20.3
100.13853	11.6
105.06990	56.7
107.04942	22.2
107.08578	36.9
109.06505	31.6
109.10145	28.4
115.07540	54.4
117.06995	28.4
119.08581	15.5
120.08082	31.8
121.06529	15.1
121.10103	26.2
129.06995	17.7
131.04948	14.4
131.08531	38.7
132.27295	15.0
133.10104	40.1
135.08011	29.5
135.11688	20.4
145.10057	26.2
147.11639	17.8
149.09683	17.4
149.13159	14.8
151.22137	12.1
157.10062	22.9
159.11708	19.4
161.09676	13.1
166.08641	13.6
167.07007	78.0
168.07382	40.4
181.04945	25.5
182.05298	16.7
188.41617	10.3
193.08455	14.3
199.14886	11.7
210.14929	20.5
269.17462	19.4
273.18295	21.1
283.10886	15.7
284.11124	35.5
302.12125	26.2
320.13086	27.4
402.75348	14.1
418.15775	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	417.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.5
53.03918	5.0
53.69278	3.2
55.01867	3.6
55.05495	13.4
57.07064	6.4
67.05493	23.8
69.03400	5.0
69.07045	18.5
70.89629	8.4
70.89961	4.9
71.04960	8.8
79.05486	30.6
81.06695	3.8
81.07058	42.5
83.04952	4.4
83.08602	8.3
91.05466	40.8
93.07029	46.9
95.04923	13.7
95.08604	41.4
97.06495	3.3
103.05463	5.0
105.07017	81.9
107.08584	67.7
109.06508	79.2
109.10145	36.2
111.08073	5.9
115.05412	5.3
117.06982	20.9
119.08564	89.9
121.06498	5.5
121.10127	71.4
123.08033	9.5
123.11678	14.7
125.09544	4.9
128.06184	10.5
129.07007	21.6
130.07755	8.2
131.08563	56.9
133.09178	6.3
133.10126	85.6
135.08026	15.5
135.11690	43.4
137.09628	3.8
141.06987	6.5
142.07748	23.6
143.08540	44.6
145.06432	4.7
145.10115	58.1
147.08069	17.5
147.11671	19.3
147.97151	4.4
149.09602	16.8
149.13284	3.7
153.06918	5.8
154.07724	4.7
155.08540	26.8
155.09586	4.1
156.09317	9.5
157.10086	57.1
158.10851	5.6
159.08002	12.1
159.11670	26.3
161.09599	20.9
161.13260	6.0
163.11066	3.9
165.06990	9.1
166.70761	3.5
167.08548	16.7
168.09314	6.8
169.10135	30.8
170.10907	8.2
171.11697	34.0
173.09564	15.2
173.13251	39.2
175.11191	15.2
175.14754	19.6
179.08488	12.1
180.09309	8.4
181.10068	28.9
182.10828	5.2
183.11705	30.7
185.09583	15.1
185.13293	21.4
187.11186	13.9
187.14760	20.5
192.09357	5.6
192.24255	3.7
193.10074	12.3
194.10898	10.4
195.11642	34.7
196.12440	6.2
197.09575	6.0
197.13235	14.9
199.11134	15.7
199.14815	17.0
201.12660	7.0
201.16325	6.3
203.10686	6.2
205.10085	8.5
206.10860	11.6
207.11609	18.9
208.12502	6.3
209.13239	27.2
211.11162	8.7
211.14796	15.8
213.12743	8.2
213.16345	15.7
219.11652	13.9
220.12390	9.2
221.13252	20.9
222.13976	6.4
223.11125	5.4
223.14786	15.2
225.12790	6.8
225.16325	8.9
227.14276	8.1
227.17928	4.3
228.81668	3.7
229.10065	4.6
229.12245	5.5
231.11610	7.5
232.12480	5.9
233.13324	19.3
234.13988	5.2
235.11047	5.0
235.14777	15.1
237.12700	10.4
237.16374	9.6
239.14267	9.0
239.17961	9.2
241.19539	4.2
243.11652	6.1
244.12450	7.0
245.13170	7.3
247.14801	9.9
249.16379	7.1
251.14432	7.2
251.17854	6.1
253.15742	8.1
257.13171	4.8
259.14716	9.9
261.16376	11.8
263.14569	5.2
263.17999	10.1
267.17184	5.3
273.16202	4.6
275.17822	5.2
277.15854	7.0
279.17261	5.5
281.18997	8.4
287.17584	4.0
289.19238	4.7
293.18890	5.0
295.16922	8.3
299.17908	4.8
301.19446	6.3
315.21252	5.5
317.22525	6.2
319.20444	3.8
331.24045	4.7
341.22562	11.7
343.20551	5.5
348.87274	4.1
357.25568	12.6
359.23666	20.6
375.26706	20.6
399.26810	28.4
417.27734	100.0
436.45578	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	417.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01857	3.4
55.05502	10.6
57.03423	5.9
57.07058	1.8
65.03909	0.8
67.05493	18.2
67.15337	0.8
68.39288	0.8
69.03429	1.6
69.07053	8.4
70.06573	1.8
71.01325	1.1
71.04972	2.5
71.71418	0.8
75.04466	1.0
79.05481	14.6
81.03409	12.2
81.07047	18.5
82.03706	1.3
83.04961	1.9
83.08602	4.4
85.02907	1.0
85.06515	2.2
89.54688	0.8
91.05462	19.2
93.07034	15.6
95.04948	10.0
95.08597	12.7
97.02869	1.6
97.06519	2.5
97.10155	2.3
99.04330	0.8
99.08046	0.9
103.03886	0.9
103.05439	2.1
105.03431	1.0
105.04458	0.7
105.07010	16.4
107.04932	6.2
107.08568	8.7
109.06491	3.9
109.10126	4.5
111.08052	0.9
115.05437	5.4
116.06231	1.3
117.06998	17.3
118.16351	0.8
119.04859	0.8
119.08565	12.3
121.06480	3.3
121.10114	5.7
123.08058	1.7
125.09566	1.3
128.06190	4.7
129.06996	14.7
130.07744	1.7
131.04878	4.6
131.08549	18.5
131.09486	0.7
132.05736	1.0
133.06461	5.9
133.10101	7.6
135.08037	1.8
135.11664	2.7
137.05923	2.0
137.09552	1.0
141.06956	7.1
142.07787	5.0
143.08534	11.8
144.05682	3.0
144.09143	0.7
145.06461	25.1
145.10101	13.2
146.07213	2.0
146.10512	0.8
147.08035	4.5
147.11641	4.3
149.09604	1.2
149.13211	1.1
151.07498	2.1
153.06967	3.2
154.07745	2.2
155.06055	1.6
155.08524	8.8
156.09282	1.5
157.06474	10.9
157.10098	10.4
158.07205	3.0
159.08043	19.2
159.11644	7.5
161.09612	3.7
161.13261	1.8
163.11189	1.2
165.06990	1.9
166.07771	1.7
167.07230	1.1
167.08511	5.5
168.09290	1.2
169.06448	1.4
169.10104	8.7
170.07225	1.2
170.71082	0.9
171.08028	15.5
171.11629	8.9
172.08878	1.4
173.09619	11.7
173.13213	4.4
175.11159	2.2
177.12724	1.2
179.08531	1.7
180.09276	1.0
181.10094	5.2
182.10797	1.2
183.08124	4.1
183.11644	7.9
184.08824	1.4
185.09608	12.0
185.13188	6.5
186.10303	1.6
187.11163	12.0
187.14853	2.2
189.12686	1.1
193.10347	1.0
195.08043	1.3
195.11664	3.8
197.09607	2.3
197.13214	5.7
198.10364	1.1
199.11139	10.1
199.14818	3.2
201.12711	7.7
205.10194	1.1
205.84567	0.8
207.11690	1.6
209.13190	4.0
211.11134	0.9
211.14825	2.2
213.12766	8.5
213.16348	1.4
215.14261	3.3
219.11665	1.0
221.13274	1.2
223.14732	2.6
225.12694	2.3
225.16528	0.9
227.14365	6.1
229.12196	1.0
231.17418	1.5
231.42847	0.9
237.12775	1.3
237.16374	1.4
239.14307	1.3
241.15840	3.6
241.19585	1.6
259.20337	1.0
267.19467	1.0
269.15387	0.9
275.20163	1.6
279.21072	2.8
281.18796	1.1
283.16956	1.2
283.20477	1.1
289.19601	1.2
297.22040	9.0
299.52124	0.8
307.20526	6.5
315.23129	2.5
325.21591	61.3
326.21826	3.9
333.24283	1.8
343.22626	16.2
348.19382	0.9
381.24133	1.0
389.26770	1.1
399.25192	13.7
399.29935	1.1
400.25983	1.1
417.26273	100.0
418.26596	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	417.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05479	1.6
57.03399	2.3
63.01541	0.6
65.03912	1.4
67.05479	1.0
69.03405	0.8
70.06554	1.7
70.28304	2.7
79.05487	3.1
81.05744	0.6
81.07047	7.4
82.06533	0.6
83.08578	0.8
86.14970	0.5
91.05502	0.7
93.07043	0.8
94.06541	0.6
95.04939	0.9
95.41088	0.6
96.08079	2.0
97.06466	0.9
103.05391	0.8
105.07014	1.4
107.04897	1.0
108.08090	1.4
109.10108	0.9
116.48949	0.5
117.06962	1.1
120.04447	0.7
123.04404	0.8
124.07567	4.3
126.09084	0.9
131.04869	0.9
133.10095	0.9
136.07564	1.3
136.11145	0.9
137.51280	0.5
138.09071	1.5
145.06461	1.0
148.03841	0.8
150.05492	0.9
151.03922	0.6
152.03381	2.5
152.07033	1.0
152.87459	0.6
157.77254	0.7
161.06000	0.6
162.09149	3.2
164.10648	3.3
166.04979	11.9
167.07002	13.0
168.06529	1.2
171.09120	0.9
173.05917	1.9
176.03383	2.9
176.14276	1.4
178.04950	1.2
178.12186	1.6
178.15851	1.2
180.13795	3.1
181.04933	4.8
181.07510	1.1
184.09856	1.4
191.07010	0.8
192.02806	1.3
194.04486	2.3
194.08360	0.6
195.06671	0.6
198.07832	3.0
199.08578	4.2
199.12314	1.5
200.10715	2.8
204.13821	8.0
206.15369	15.3
207.15891	1.1
208.16951	2.7
209.10690	1.7
210.09048	1.1
211.08629	1.8
212.09369	6.6
213.06561	0.8
213.10207	1.7
214.10844	1.0
222.14882	4.7
224.16446	1.2
225.06438	1.1
225.10178	1.7
226.07179	1.4
226.10963	1.6
227.08273	3.1
227.11742	9.8
228.10300	4.3
229.09764	0.8
229.13434	0.8
233.07925	0.6
235.09590	0.9
237.10272	2.7
239.08195	1.6
240.08958	4.3
241.09731	4.3
242.10330	1.6
243.07568	1.2
243.11124	0.8
244.08434	3.6
247.10004	0.5
253.09735	1.4
255.07722	1.0
255.11224	12.0
257.09155	8.3
257.12753	2.4
258.09659	0.6
265.09680	2.0
267.06366	1.6
269.09164	2.1
270.09937	4.7
270.32193	0.6
272.07965	0.7
272.11374	0.9
273.12259	2.9
283.10724	100.0
284.11096	4.7
285.03894	1.1
285.08835	1.4
285.12338	2.2
287.10248	10.3
288.11050	3.2
297.07550	0.8
300.11160	1.1
301.11777	71.2
302.12238	3.2
319.12833	59.2
320.13031	1.9
329.11261	18.0
337.18878	0.8
339.17126	1.1
353.18509	1.0
357.17963	4.9
363.08636	0.7
371.19635	2.0
381.17899	1.0
387.14273	1.4
399.19086	38.3
400.19412	2.4
417.15320	2.6
417.20151	22.4
418.20499	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	417.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05510	3.3
57.03433	2.3
60.01442	1.2
61.15627	1.1
65.03926	2.3
67.05489	6.3
69.03425	1.3
69.07056	2.4
70.06578	8.4
71.70331	1.4
73.02914	1.1
78.04679	2.4
79.05476	8.8
80.33588	1.0
81.03441	1.7
81.07038	10.7
82.04191	1.4
84.04515	1.2
84.08162	1.3
91.05466	4.9
92.05012	1.5
93.07050	3.7
95.04958	4.2
95.08631	2.7
96.08131	2.7
97.02895	1.4
97.06497	1.3
100.11214	1.3
103.05468	1.5
105.07021	2.9
106.04151	2.0
107.04932	4.1
107.08569	2.7
108.08080	1.6
109.10131	3.3
111.04453	1.6
111.62112	1.2
112.64621	1.3
113.87310	1.1
115.05427	3.4
115.39908	1.2
117.07008	4.7
119.08562	1.3
121.06490	1.4
121.10110	1.6
123.04391	6.2
124.05213	1.7
124.07567	5.0
126.09142	1.2
127.08659	1.5
131.04883	1.3
135.11688	1.8
136.07558	2.0
138.03130	1.3
138.09050	1.8
140.28229	1.3
145.06491	5.9
147.04477	1.1
147.08205	1.2
149.06061	1.2
151.03952	1.4
152.03484	2.4
152.04669	2.3
152.07123	1.3
155.06006	2.6
161.05882	1.5
162.09169	2.3
163.21555	1.1
164.10675	3.2
165.05435	1.2
166.04988	9.7
167.07027	77.8
168.07341	3.3
168.68463	1.2
169.10188	1.2
171.06544	2.1
173.05960	11.3
176.03384	2.7
180.13875	1.6
181.04930	26.5
182.05327	1.1
191.07018	4.9
194.04407	1.4
196.09758	1.4
198.07799	2.7
199.08620	4.4
200.10709	3.5
204.13788	7.2
205.08626	2.6
206.15338	10.5
209.10742	2.6
210.03972	1.5
210.09193	1.1
211.08545	1.2
212.09387	10.6
213.10176	1.3
222.14835	4.3
222.57030	1.2
227.08128	2.5
227.11742	9.5
228.10182	4.8
228.12265	1.4
233.08072	4.6
235.09599	2.4
237.10326	1.9
240.08928	4.2
241.09666	4.5
242.10475	2.3
244.08510	3.3
245.29164	1.4
255.11295	12.6
257.09171	9.5
257.12830	2.4
265.09592	2.5
269.09125	2.1
270.09940	4.0
271.09528	1.1
273.12289	2.3
283.10739	100.0
284.10941	5.4
285.03894	1.6
285.12228	1.7
287.10147	8.3
288.10992	1.8
301.11798	69.1
302.12106	2.8
308.73410	1.2
319.12836	55.5
320.13168	3.2
329.11298	18.0
330.11450	1.3
357.17987	4.0
381.17810	1.4
387.14374	8.5
399.14627	1.8
399.19080	38.8
400.19629	2.7
417.15234	15.6
417.20245	18.3
418.15656	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	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01862	2.3
55.05484	1.3
65.03912	1.7
66.99663	0.9
67.05489	3.3
69.03418	1.6
69.07058	2.5
70.06583	6.4
76.99406	1.0
77.03890	1.5
78.04685	3.5
79.05477	6.4
81.03402	2.1
81.07033	4.0
83.04923	1.0
85.02913	1.8
85.32701	0.8
86.26445	1.0
89.03916	1.6
90.04700	2.1
91.05466	9.0
93.07034	3.5
95.04951	12.5
95.08596	2.9
97.02876	1.7
102.04669	3.0
103.05457	14.4
104.06227	12.2
105.03376	7.4
105.06339	1.3
105.07015	22.7
106.04169	1.9
107.04948	6.4
107.08573	1.9
109.10134	1.7
111.04449	1.0
115.05434	11.3
117.03351	3.8
117.07007	5.3
118.04131	3.2
119.04927	3.6
119.08586	1.6
121.02832	1.3
121.06474	4.2
121.10120	1.5
123.04410	16.6
123.08004	0.8
124.05233	1.5
125.06001	1.0
128.06171	1.5
130.04111	2.1
131.04904	64.6
132.05695	66.3
133.02849	10.8
133.06503	16.4
133.10100	1.3
134.03564	1.8
135.04384	3.1
135.11633	1.0
137.05933	3.5
142.10220	1.1
143.04935	2.0
143.05984	1.5
145.06459	4.7
146.03619	5.6
147.04364	3.5
148.01538	1.3
149.02342	2.4
149.05946	6.6
151.03888	5.3
151.07504	2.0
155.06030	1.3
159.04376	1.8
159.11642	0.9
160.05180	21.7
161.02324	8.7
161.05957	59.5
162.06601	3.7
163.03867	6.2
163.07491	3.0
165.01794	1.0
165.05498	5.9
165.06740	1.5
167.07014	58.2
167.12497	0.9
171.11676	1.1
173.05937	7.1
175.03828	1.1
175.07489	8.0
176.04622	2.0
177.05469	16.2
178.06183	4.2
179.03378	10.5
179.04823	1.4
179.07013	5.2
180.07799	7.7
181.04945	18.8
181.08528	3.2
182.09303	3.1
189.05423	1.2
191.03395	1.7
191.06998	17.3
192.07779	49.7
192.42509	0.9
193.04955	1.1
193.08527	8.3
205.01131	0.9
205.04903	1.0
205.08696	1.2
207.02859	15.1
207.10117	1.0
209.02686	1.0
209.04469	4.1
209.08098	2.6
210.08765	5.6
211.09616	1.1
217.08607	1.1
221.04417	2.0
233.04248	1.4
233.07930	5.3
235.09764	1.8
251.06848	2.2
257.04517	1.6
265.04959	1.0
279.06561	2.2
285.03900	2.2
286.08997	0.9
292.03571	1.2
295.05939	1.2
296.06583	1.4
307.05975	2.1
309.03940	1.6
321.07581	2.5
324.06387	1.2
335.05573	1.1
339.08615	2.6
367.08072	100.0
368.08499	8.4
387.10498	2.5
387.14883	4.8
399.10678	8.3
417.10681	11.5
417.15628	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	415.1021
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03916	0.3
55.01872	1.2
55.02071	0.3
57.03394	0.8
60.04493	0.3
61.02919	3.1
65.03918	1.9
67.05467	0.3
68.99451	0.3
68.99776	2.8
69.03394	0.8
70.06586	1.9
71.69630	0.4
72.08144	2.5
73.02869	1.1
73.03224	0.3
79.01794	0.4
79.05447	0.8
81.03382	0.9
83.04961	0.3
84.04485	0.3
84.08116	0.4
84.08809	0.3
85.02879	2.8
86.09704	2.8
91.04938	0.5
91.05461	7.4
92.05755	0.3
93.03380	0.5
95.01328	0.3
95.04955	2.2
97.02872	1.7
103.03931	2.9
103.05395	0.4
105.03346	0.8
107.04919	0.6
109.02809	0.8
111.00814	0.4
111.04391	1.0
116.07114	1.5
117.06969	0.2
119.04927	25.0
121.02849	30.0
121.03761	1.0
122.03182	0.6
123.04423	1.2
127.03865	0.4
131.04858	0.4
133.02831	0.3
135.04373	0.8
137.02359	0.4
137.05907	0.4
137.09480	0.3
139.03853	1.1
141.01782	0.9
142.12213	0.6
145.02795	2.5
147.04381	0.8
147.11734	0.3
147.66676	0.3
149.02318	1.7
151.03841	0.7
153.01828	2.8
154.12260	0.3
156.13881	0.4
163.03883	11.3
165.01825	9.0
165.05510	0.4
165.06998	0.3
167.03430	1.6
171.04349	0.3
173.12814	1.6
175.03818	0.5
177.01802	5.0
177.05338	0.8
179.03453	0.6
181.04951	1.4
183.02887	6.3
187.03922	1.3
189.01793	1.5
189.05461	0.4
191.03375	10.7
193.01233	0.4
193.04922	0.8
195.02873	2.3
199.03860	0.4
201.12334	1.3
203.03319	1.0
205.01344	0.2
205.04922	4.7
207.02827	1.5
207.06352	0.3
209.04399	1.1
211.07434	0.3
215.03357	0.9
215.13918	0.6
217.04918	2.0
219.02859	11.8
220.03128	0.5
227.06964	0.4
231.02863	2.3
232.33208	0.3
233.04359	0.7
235.05908	1.6
239.07002	0.8
243.02898	1.1
247.05888	0.5
249.03860	2.0
253.07068	0.9
255.06369	0.5
259.06006	0.5
261.03922	2.4
263.06952	0.3
266.05704	0.3
267.06528	4.5
270.05106	0.6
270.07852	0.3
271.05927	5.0
271.08536	0.4
279.04700	3.7
281.04828	0.4
281.08017	4.1
283.05972	48.8
284.06516	2.7
285.07382	0.3
293.08191	0.3
294.05200	0.7
295.05969	100.0
296.06305	4.1
297.07739	1.8
305.07993	0.8
307.05984	4.2
308.06760	1.9
309.03903	1.7
309.07474	14.0
310.07864	0.6
311.05548	1.5
311.08725	0.3
313.06979	3.5
320.06674	0.7
321.07657	1.1
323.05560	0.4
323.09067	5.4
324.09564	0.3
325.07019	2.1
333.07410	1.9
335.05618	0.9
337.07019	33.2
338.07285	1.2
349.02847	0.5
349.07031	7.7
350.07547	0.5
351.08560	2.0
355.08151	1.0
361.07043	3.1
367.08075	7.5
379.08057	7.8
380.08710	0.3
396.32471	0.4
397.09155	11.7
398.09351	0.7
415.10199	20.4
416.10406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1019
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03913	0.3
55.01860	0.8
57.03394	0.6
61.02906	0.3
65.03916	0.2
67.01839	0.2
67.05442	0.2
68.99773	0.7
69.03398	0.2
69.43726	0.1
70.06557	0.2
71.69976	0.3
79.05443	0.3
81.03416	0.9
84.08067	0.2
85.02881	1.5
86.09647	0.3
88.43888	0.1
91.05452	1.1
92.99726	0.2
93.03372	0.2
95.04921	0.5
97.02835	0.7
105.03346	0.2
107.04914	0.6
109.02834	1.0
111.04355	0.2
115.05417	0.2
119.04167	0.2
119.04921	3.6
121.02840	8.3
122.03091	0.2
123.00815	0.3
123.04380	0.2
131.04897	0.8
135.04358	0.6
137.02281	0.5
141.00960	0.1
141.01797	1.4
143.04874	0.2
145.02817	3.3
147.04333	0.6
149.02301	0.5
153.01772	0.5
156.13760	0.2
159.04350	0.5
163.03880	4.7
165.01804	13.4
167.03343	0.7
169.02808	0.4
171.04315	0.2
175.03876	0.5
177.01753	0.7
177.05443	0.9
179.03310	0.5
179.08495	0.1
181.04893	1.8
183.02867	6.5
187.03879	2.0
189.01743	0.8
190.02515	0.3
190.99684	0.2
191.03336	2.1
195.02895	0.3
197.00845	0.3
199.03833	0.3
203.03369	0.7
205.04941	1.5
207.02808	0.7
209.00726	0.4
209.04465	0.4
215.01590	0.2
215.03329	0.8
217.04799	0.2
221.04356	0.4
223.05836	0.2
229.04897	0.7
231.02747	0.5
233.04373	1.0
239.07048	0.6
240.07030	0.2
241.04967	0.2
242.05704	0.4
243.02878	1.2
249.03796	0.4
253.08531	0.3
255.06357	0.6
261.03955	1.2
263.06888	0.3
266.05701	0.2
267.06506	3.2
268.06787	0.2
269.04117	0.2
270.05148	1.3
271.05978	6.4
272.06210	0.3
273.03821	0.4
277.08487	0.4
279.06531	2.2
280.07236	0.4
281.04785	0.4
281.08035	11.7
282.08371	0.6
283.05957	100.0
284.06390	4.2
289.03320	0.2
289.08292	0.3
291.06534	0.5
293.08041	0.8
294.05045	0.8
295.05936	7.4
295.09561	3.0
296.06534	0.3
297.03827	0.8
297.07483	3.1
305.08063	2.8
307.05917	2.6
308.06763	2.6
309.04114	1.8
309.07492	31.8
310.07730	1.3
311.05457	1.2
311.08585	0.2
313.07028	3.7
319.05930	0.3
321.04141	0.3
321.07565	3.3
322.08041	0.3
323.05582	1.0
323.09052	16.2
324.09442	0.6
325.07025	0.5
333.03555	0.2
333.07516	4.4
334.08069	0.3
335.05643	0.8
337.06998	45.7
338.07358	1.7
339.08633	0.2
349.06985	12.2
350.07306	0.6
351.08551	3.5
355.08026	0.4
361.06998	11.3
362.07236	0.7
367.08063	19.0
368.08395	0.7
379.08047	19.8
380.08450	1.2
397.09119	19.5
398.09189	0.9
415.10172	14.3
416.10690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36826	2.1
56.02881	2.6
56.96555	51.8
70.06558	6.5
70.58829	2.0
71.04814	4.8
71.05158	2.7
84.08106	3.0
84.96011	20.4
85.02872	3.9
87.60253	2.0
87.94637	2.3
91.05781	5.1
94.60770	2.2
98.97565	59.9
102.97031	3.4
103.11153	2.1
106.08997	2.7
110.97549	10.3
112.07625	2.6
112.99084	3.2
116.98608	45.6
120.98084	2.5
128.98578	24.6
131.00131	4.5
134.99635	24.0
140.00137	4.3
143.00134	9.8
144.98119	2.4
146.99626	21.0
149.01198	4.6
152.98547	4.2
153.00536	3.1
158.99617	8.7
161.01186	27.8
162.99101	3.7
170.99632	14.8
177.00674	17.3
179.02225	7.1
185.01192	9.5
189.00690	7.4
198.99121	6.3
201.00687	6.8
203.02287	15.7
204.05391	2.6
210.99072	8.0
213.00687	8.9
219.01736	34.7
225.77542	2.4
227.02260	5.6
229.00157	53.8
235.02783	4.0
236.06848	2.6
237.02760	55.8
242.08701	2.9
247.01167	20.8
252.01759	4.2
253.00157	3.7
253.03851	3.4
255.03741	3.7
260.04498	2.8
271.01181	11.5
276.99850	3.0
281.13211	2.6
293.03262	2.9
295.01196	5.5
297.02765	6.8
313.02087	3.7
337.02164	5.5
344.97635	4.3
355.03256	44.7
373.04367	100.0
374.04865	2.7
378.04962	3.2
391.05182	7.0
396.05963	6.5
399.29398	2.2
415.05148	10.5
415.10004	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	414.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13637	0.4
55.01857	1.0
55.05509	2.7
57.03408	1.3
57.07061	1.0
57.42191	0.4
58.06590	2.8
61.13297	0.4
67.05493	2.5
68.90271	0.4
69.03403	1.9
69.07058	8.7
70.06568	1.0
70.59331	0.4
71.04993	1.0
71.08626	4.3
71.70105	0.8
72.08147	5.8
79.05498	2.7
81.03384	1.1
81.07039	3.2
83.04965	1.1
83.08165	0.4
83.08591	2.3
84.04504	0.7
84.08147	3.2
85.02892	0.8
86.06043	1.2
87.04403	0.6
89.99062	0.4
91.05439	2.1
93.07030	4.5
95.04945	0.6
95.08589	1.9
97.02872	0.7
97.06520	3.2
98.06043	5.0
99.06375	0.4
99.08080	8.5
104.07066	1.3
105.07001	1.2
107.04926	0.6
107.08573	3.9
108.08875	0.5
109.02827	0.6
109.06547	0.4
109.10121	1.4
111.08041	1.2
111.11684	0.7
112.07583	2.8
112.11237	2.8
116.10719	0.4
119.08548	0.8
123.04388	0.4
125.06181	0.4
126.09106	0.5
128.10693	1.5
131.08534	0.7
133.10121	1.2
135.11668	6.8
139.71492	0.4
153.12747	2.9
156.13817	36.9
157.14180	1.2
167.06975	0.9
170.15379	5.9
181.04927	1.6
182.15405	1.2
210.18509	30.4
211.18794	1.2
224.20068	1.2
227.21167	2.3
228.19559	30.9
229.19835	0.7
242.21219	1.3
244.23866	1.2
299.26938	0.9
354.14087	0.8
396.35736	4.3
397.34207	1.5
414.36829	100.0
415.10229	1.7
415.37167	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	414.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
57.03423	3.7
60.40516	2.9
64.78680	3.2
67.05489	13.7
69.07051	6.6
71.03413	8.0
71.03777	5.8
71.08624	7.7
79.05483	15.8
81.03427	3.5
81.07039	17.4
91.05473	7.6
93.07014	10.3
95.04941	5.0
95.08598	12.4
97.06536	4.4
97.37004	3.5
99.08051	6.0
105.07027	7.0
107.08620	8.7
109.10158	3.8
119.08555	57.7
121.10112	8.1
131.08501	6.0
133.10115	8.7
135.11655	9.3
145.10147	4.6
147.11627	4.8
151.11142	5.2
161.13287	4.2
177.12645	3.7
179.14317	30.4
181.12166	4.0
277.21579	26.1
351.25250	100.0
351.29440	6.4
368.95715	4.0
396.29666	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	414.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.3
57.03424	4.0
63.07379	3.5
67.05487	13.6
69.07049	5.3
70.06561	4.2
71.08616	14.3
71.31572	6.3
79.05483	16.0
81.07063	19.2
82.07355	3.3
83.08594	4.2
91.05453	8.9
93.07034	22.0
95.04948	3.7
95.08637	16.2
97.06479	4.6
99.08064	9.9
100.73675	3.7
101.73930	3.1
104.26701	3.5
105.07003	10.4
107.08591	13.8
109.10162	4.6
119.08584	27.4
121.10121	11.6
133.10109	5.1
135.11664	12.8
147.11668	4.8
149.13260	7.6
151.11108	3.5
163.11215	4.0
179.14281	40.4
200.15108	4.9
277.21603	28.5
290.62628	3.5
351.25229	100.0
352.25854	5.9
396.29752	8.7
414.22385	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	414.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01847	0.5
55.05499	3.3
57.03419	1.2
57.07048	0.9
58.06586	4.3
64.14560	0.4
67.05496	3.6
69.03414	1.9
69.07054	11.3
70.06572	2.1
71.04985	1.1
71.08617	5.5
72.04498	0.5
72.08134	7.1
79.05476	3.5
80.05812	0.6
81.03403	1.4
81.07037	4.1
83.04951	1.3
83.08609	3.3
84.04482	1.4
84.08118	4.0
85.02872	1.3
85.06504	0.5
85.24946	0.4
86.06051	1.8
87.04446	0.7
91.05449	1.8
93.07027	5.5
95.04945	0.8
95.08569	3.5
97.02882	1.4
97.06514	3.6
98.06036	5.0
99.04336	0.5
99.08080	8.4
104.07089	1.1
105.07000	1.3
107.04970	0.5
107.08577	5.0
109.02843	0.8
109.10144	1.2
111.08051	1.7
111.11700	0.7
112.07590	4.4
112.11230	4.0
116.10704	0.6
117.06968	1.0
119.08565	1.1
120.08102	0.5
121.10147	1.1
123.52782	0.5
127.03906	0.5
128.10687	1.4
128.35547	0.6
133.10121	1.0
135.04373	0.5
135.11681	6.8
137.06012	0.7
145.06462	0.6
145.10121	0.5
153.12715	3.9
155.15472	0.5
156.13811	33.8
157.10077	0.6
157.14183	1.5
159.11652	0.6
167.07008	1.5
170.15367	7.5
181.04890	0.6
182.15399	1.8
184.56622	0.6
209.20070	0.7
210.18495	37.6
211.18791	1.0
224.20055	0.6
227.21188	2.6
228.19551	37.6
229.19914	1.4
242.21136	1.1
244.23904	1.4
275.19971	0.6
278.05603	0.6
299.26907	0.6
301.03348	0.5
335.57181	0.5
379.33124	0.7
395.78415	0.5
396.35767	4.8
397.34451	0.9
414.36823	100.0
415.10214	1.7
415.37125	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	413.3771
Annotation	Adiantone
Peak:m/z	Relative Intensity
52.30231	1.4
53.73128	1.2
55.05495	4.5
57.07060	5.9
61.53511	1.3
67.05488	6.1
69.07069	10.4
70.06322	2.8
70.06745	6.1
71.08620	4.0
79.05475	9.8
81.07039	14.6
83.04959	11.6
83.08602	4.3
85.10195	1.7
91.05476	2.7
93.07014	4.1
95.08588	9.4
97.06519	85.3
97.10152	2.2
98.20760	2.1
105.07014	4.7
107.08578	5.4
109.06507	100.0
109.10146	6.3
111.11696	2.8
119.08571	2.6
121.10130	2.3
123.08038	9.4
123.11679	2.1
131.08517	1.8
133.10115	2.7
134.55226	1.3
135.11623	2.6
145.10098	1.8
147.11659	2.5
149.13271	2.0
159.11699	3.8
163.11154	1.8
173.13310	2.6
177.12695	1.5
191.14413	1.6
227.18077	1.6
241.19458	1.6
255.21292	1.6
395.36816	6.4
403.66830	1.7
413.37769	54.6
414.38251	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	414.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05491	0.6
56.05014	0.6
58.06347	0.4
58.06589	3.7
58.08771	0.4
59.02080	0.3
59.04982	0.4
60.93888	0.3
69.87758	2.3
70.06584	2.0
71.08620	15.0
72.08136	1.4
72.08942	0.4
81.07027	0.3
82.65854	0.3
83.04972	0.3
84.04472	1.0
84.08139	2.5
85.02880	0.6
86.09676	0.6
87.43333	0.3
95.04926	0.3
96.08068	0.4
98.09674	4.2
98.20663	0.4
99.08080	23.0
100.07610	0.7
100.08379	0.6
104.79462	0.4
105.03377	1.6
110.09679	0.7
112.07615	0.4
112.11231	1.0
116.13810	0.4
120.08118	0.6
123.04424	2.7
126.09129	4.3
128.03354	0.4
128.10701	2.8
137.05946	0.7
140.10580	0.4
142.12326	0.4
144.83881	0.4
154.08665	0.4
156.13814	100.0
157.14180	2.3
162.09103	0.5
165.05464	1.4
170.15427	0.5
171.11307	0.6
174.02147	0.4
176.10744	0.5
222.11250	3.0
225.19600	0.6
227.21204	0.4
255.13503	0.8
272.16156	0.4
308.23270	0.5
309.21390	0.4
326.24249	2.7
352.22168	0.4
353.20721	1.5
370.23318	29.7
371.23642	1.4
393.38519	0.4
409.62201	0.4
414.24255	3.0
414.29593	1.3
415.10330	0.6
415.19315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
54.32700	1.0
55.01856	4.2
55.05508	9.2
57.03428	15.4
58.06596	2.7
62.98881	1.0
65.03930	1.4
67.05499	29.2
68.05827	2.5
69.03425	24.1
69.07056	8.4
69.69579	2.5
69.69987	5.8
70.06576	6.1
71.04984	7.7
71.08616	7.4
72.08135	4.5
73.02911	2.7
75.66002	1.0
79.05482	19.2
79.68384	1.1
81.02940	2.0
81.03410	37.9
81.07048	42.5
83.04967	16.2
83.08611	8.0
84.04510	1.6
84.08115	3.9
85.02908	15.5
85.06518	3.1
86.09698	1.4
87.04420	1.3
91.05463	16.4
93.06506	1.9
93.07035	24.8
94.07373	1.3
95.04971	6.1
95.08595	10.9
97.02883	19.4
97.06510	7.6
97.10130	1.2
98.06026	4.8
99.04440	8.8
99.08082	13.4
100.08411	3.3
102.05535	1.8
103.03918	3.3
105.07006	11.2
106.07369	1.6
107.04941	3.4
107.08575	14.4
108.08924	1.4
109.02874	11.3
109.06488	4.5
109.10131	4.4
111.04416	4.8
111.08089	3.3
112.11234	1.7
113.11514	1.4
114.05449	1.4
117.06999	7.5
119.04919	1.4
119.08587	5.6
121.06493	4.0
121.10149	7.5
123.04429	1.6
123.08075	2.3
123.11684	4.0
125.05973	1.6
125.09558	1.5
127.03911	12.6
129.05470	5.3
129.06982	3.0
131.04884	1.4
131.08559	8.7
133.06430	1.4
133.10103	10.7
135.08025	3.2
135.11652	6.0
137.05962	4.4
137.09598	1.1
141.06993	2.2
143.08568	1.7
145.04948	1.9
145.06407	1.1
145.10052	6.0
147.04398	1.7
147.11673	6.7
149.13239	13.7
151.07542	1.7
155.08585	1.5
156.13823	40.4
157.10204	1.6
157.14172	25.2
159.08035	2.3
159.11687	10.2
161.05989	1.5
161.13249	1.4
165.12701	2.8
167.07068	1.4
172.28238	1.3
173.04463	1.3
173.09610	2.5
175.07436	1.2
177.12749	7.3
183.06430	2.3
187.07663	1.3
187.11183	2.7
195.13754	12.0
195.15401	1.6
198.14735	1.4
199.07762	1.2
201.07446	1.4
213.14888	6.7
215.10524	2.7
219.13876	1.4
226.18034	8.4
227.18324	10.6
233.11852	1.6
239.11238	1.2
239.13722	1.2
241.19937	1.9
241.75758	1.1
249.14790	2.3
251.12831	1.3
263.07248	1.3
269.17508	7.9
275.16373	1.4
278.09363	1.3
293.11456	1.2
294.08289	1.2
297.17041	1.9
321.11197	3.1
339.12033	1.4
339.17944	4.3
353.13757	6.7
377.19437	1.7
395.20709	4.2
395.34171	2.0
396.33032	2.1
413.16013	4.7
413.21576	54.4
413.35593	100.0
414.22226	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	413.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	14.2
55.01851	5.9
55.05504	17.9
57.03160	2.9
57.03424	32.2
67.05489	53.3
69.03418	53.5
69.07045	15.8
69.16489	2.7
69.69439	6.7
69.69857	11.3
71.04980	16.0
73.02902	6.6
79.05484	36.3
81.02937	4.9
81.03403	70.5
81.07041	64.2
83.04961	27.5
83.08619	13.0
84.05323	2.6
85.02885	28.9
85.06509	4.5
87.04466	3.4
88.66013	2.3
91.05452	33.6
93.07030	46.3
95.04933	9.5
95.08599	19.8
97.02873	38.9
97.06509	7.0
98.21486	2.6
99.04415	15.7
99.08067	4.4
101.02396	2.9
103.03961	4.6
105.07001	16.5
107.04930	4.3
107.08563	23.8
109.02858	16.2
109.06510	4.2
109.10182	2.9
111.04431	12.0
111.08066	4.6
116.74699	2.5
117.06999	15.2
119.08541	8.9
121.06459	7.3
121.10152	14.9
123.11666	5.6
127.03898	20.0
129.05426	7.5
129.06938	2.8
131.08539	11.0
133.06468	4.3
133.10120	14.2
133.54375	2.3
135.08005	5.6
135.11653	12.9
137.05911	4.3
139.11137	2.9
141.06946	3.5
145.06456	3.1
147.08069	3.3
147.11641	4.5
149.13232	31.0
157.10104	2.8
159.11679	20.4
165.12782	3.0
175.11040	3.2
177.12697	16.6
183.06541	5.5
189.51181	2.3
195.13757	31.0
198.77895	2.6
213.14841	7.1
219.13770	3.2
249.14717	4.1
269.17365	20.2
270.17795	3.3
271.17551	2.7
275.16342	4.0
276.96753	2.5
285.14899	2.9
297.16705	2.5
303.15848	5.1
321.16977	3.1
339.17996	9.3
377.19543	2.9
395.20599	5.2
413.21646	100.0
414.21887	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	413.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.9
55.01877	5.7
55.05502	19.3
57.03432	30.9
61.02908	2.1
65.03929	2.4
67.05497	51.6
69.03420	55.2
69.07061	14.4
69.69537	10.0
71.01340	3.3
71.04979	14.0
73.02900	4.6
79.05486	37.0
81.03407	70.9
81.07045	69.1
82.07368	1.5
82.73247	1.2
83.01308	1.5
83.04971	26.1
83.08604	10.9
84.08132	1.2
85.02895	25.4
85.06515	3.5
87.04452	3.8
91.05465	29.1
93.06448	2.2
93.07033	39.5
95.04952	12.7
95.08591	21.1
97.02884	36.3
97.03452	0.9
97.06517	11.8
99.04442	14.4
99.08086	3.7
101.02349	3.3
103.03896	4.7
105.07018	15.8
107.04949	7.5
107.08580	25.2
109.02856	16.5
109.06488	4.7
109.10136	4.5
111.04441	8.7
111.08053	5.2
115.03855	1.9
115.05482	1.3
117.07002	13.9
119.08563	8.7
121.06458	5.5
121.10136	10.1
123.04419	2.2
123.08080	1.9
123.11692	5.2
125.06134	1.2
127.03897	20.1
129.05478	9.0
129.06987	4.5
131.04884	2.1
131.08548	13.0
133.06456	4.3
133.10114	13.3
135.08067	4.0
135.11661	10.9
137.05960	1.3
143.08545	1.6
145.04933	4.3
145.06474	2.5
145.10123	2.3
147.07993	3.6
147.11665	6.7
149.09578	2.1
149.13228	22.1
151.11121	1.6
155.08623	1.4
157.06525	1.4
157.10120	2.2
159.08041	2.0
159.11682	17.9
161.09572	1.4
161.13245	2.1
165.12769	5.0
171.11629	2.0
173.04456	1.8
173.13144	1.9
175.11169	1.8
177.12715	13.3
179.14336	1.3
183.06523	4.6
189.12883	1.3
191.14310	1.3
195.13792	31.5
201.07549	2.3
201.12634	2.0
213.12901	2.2
213.14713	7.9
215.14182	1.2
219.13785	4.2
222.10463	1.1
231.13843	1.3
233.15366	1.5
247.16919	1.4
249.14848	3.0
261.14825	2.2
267.15967	2.1
269.17462	18.2
275.16418	3.8
285.14853	3.1
291.68671	1.3
297.16916	4.2
303.15854	4.2
321.17023	4.4
339.17880	6.7
395.20514	6.4
413.21661	100.0
414.21790	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	413.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.4
54.62628	1.6
55.01854	6.6
55.05268	2.2
55.05502	24.8
56.01057	1.9
57.03430	33.7
60.09065	1.8
61.02902	1.9
65.03926	4.2
67.05499	57.1
69.03422	57.0
69.07060	18.8
70.03741	1.8
70.06566	6.2
70.88637	5.4
71.01345	3.3
71.04987	15.9
73.02894	6.8
78.22535	1.7
79.05480	39.4
81.02937	3.6
81.03411	80.3
81.07046	85.0
82.03748	1.8
82.79996	1.7
83.04971	30.0
83.08599	13.5
85.02898	29.0
85.06514	4.9
87.04440	4.3
88.12661	1.6
91.05470	29.5
93.07034	56.1
95.04955	12.7
95.08593	29.0
97.02881	38.6
97.06520	13.2
98.03127	1.8
99.04450	18.1
99.08082	4.3
101.02345	4.9
103.03901	5.7
103.05445	2.8
105.07018	23.5
107.04939	7.0
107.08572	27.4
109.02864	21.5
109.06478	6.0
109.10154	6.0
111.04452	10.8
111.08038	7.0
115.03861	3.3
115.05438	2.0
117.07024	11.6
119.08580	12.9
121.06464	6.3
121.10115	16.3
123.04406	2.3
123.08031	3.8
123.11693	5.3
127.03902	22.9
129.05460	9.1
129.07005	5.7
131.04971	2.8
131.08546	18.6
133.06442	3.4
133.10114	17.2
135.08029	5.3
135.11678	15.5
137.05930	3.0
143.08536	4.1
145.04939	4.0
145.06421	2.2
145.10085	8.5
147.08022	3.8
147.11696	8.7
149.09633	3.6
149.13234	33.5
151.11125	2.2
155.08452	2.8
157.10059	3.1
159.11650	20.9
161.13280	1.9
165.12718	5.8
167.63550	1.9
169.10132	4.3
173.04527	2.6
173.13242	4.3
175.14806	2.4
177.12698	13.6
179.10802	1.9
183.06433	4.4
187.11316	2.3
189.12701	2.5
193.12209	2.7
195.13765	33.5
201.07501	3.7
201.12692	2.2
209.13275	2.0
213.14751	9.4
215.14282	2.3
233.15375	2.4
249.14870	3.8
261.14795	4.4
269.17456	22.6
275.16391	4.2
297.16888	5.1
303.15945	3.4
321.17035	2.6
339.17914	7.2
370.70547	2.1
377.19687	2.9
395.20630	6.0
395.29532	3.1
413.21652	100.0
414.21701	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	413.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.5
55.01846	4.6
55.05243	1.8
55.05497	21.3
57.03168	2.0
57.03425	31.7
59.04961	1.3
61.01131	4.2
61.02900	3.9
61.92770	1.6
63.06624	1.3
64.84416	1.5
65.03918	3.6
67.05490	51.8
68.05846	1.4
69.03045	2.9
69.03415	50.5
69.07053	16.7
69.62165	11.2
70.06564	4.5
71.01316	2.9
71.04974	10.4
73.02888	5.1
79.05476	39.0
81.03403	72.9
81.07042	73.5
83.01303	2.8
83.04964	26.0
83.08597	13.4
85.02888	29.5
85.06520	5.1
87.04455	3.6
91.05460	27.1
93.07027	41.5
95.04951	12.6
95.08012	1.6
95.08594	23.0
97.02875	35.3
97.06510	12.7
97.10134	4.2
98.21480	2.7
99.04434	15.0
99.08045	2.6
101.02350	2.9
103.03912	6.2
105.03695	2.2
105.07009	22.4
107.04948	8.0
107.07902	2.1
107.08573	25.0
109.02276	1.5
109.02866	17.4
109.06508	7.5
109.10136	4.7
111.04407	8.3
111.08045	6.8
115.03941	2.8
115.05442	1.8
117.06995	11.8
119.08565	11.1
121.06467	6.4
121.10104	12.2
122.45036	1.3
123.04411	2.4
123.08049	2.1
123.11681	4.7
125.09573	2.9
127.03886	20.2
129.05502	9.9
129.06960	3.2
131.08551	17.1
133.06470	3.1
133.10103	15.8
135.08015	4.8
135.11687	11.5
136.23460	1.5
137.05862	1.7
143.08571	2.2
144.09378	1.5
145.04947	2.2
145.06435	2.0
145.10094	5.3
147.08032	3.0
147.11678	10.2
149.09587	2.8
149.13240	27.3
153.05469	1.9
157.10127	3.3
159.07971	1.9
159.11670	19.9
161.13217	4.3
163.11171	2.7
165.12712	3.2
167.08595	1.7
171.07944	1.7
171.11571	2.2
173.04419	2.4
173.13187	2.8
175.07433	1.7
175.11211	1.7
177.12700	12.9
179.08575	1.6
179.14215	1.5
183.06528	4.4
183.11679	3.2
189.11153	2.6
193.12134	1.8
195.12015	1.1
195.13756	29.5
197.13306	2.7
201.07529	3.3
201.12794	1.6
210.70380	1.7
213.12943	2.1
213.14818	7.7
217.07532	1.4
219.13773	2.2
249.14694	3.2
249.61841	1.4
251.16412	2.4
261.14841	2.6
269.10852	1.7
269.17441	16.7
276.85751	1.5
285.14636	1.6
293.17560	1.8
294.23004	1.5
297.16818	3.8
303.15887	3.8
321.16995	2.8
339.18018	8.0
353.13809	1.9
353.19415	1.6
369.37805	1.5
377.19617	3.2
395.20511	5.1
413.21613	100.0
414.21860	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	413.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.9
55.01858	6.5
55.05502	16.9
57.03158	2.7
57.03429	32.7
57.07061	1.6
61.02907	2.2
61.14153	1.4
65.03887	1.9
67.05137	3.2
67.05495	56.6
69.03420	52.2
69.07059	14.7
69.58421	13.0
70.06568	4.4
71.01318	2.8
71.04983	14.8
73.02894	5.3
79.05478	36.9
81.03403	69.0
81.07041	70.8
83.01328	1.6
83.04966	26.9
83.08615	11.4
83.55758	1.3
84.08136	2.1
85.02893	27.7
85.06514	5.6
86.09694	1.5
87.04456	3.6
91.05464	31.9
93.06434	2.7
93.07029	50.2
95.04965	11.7
95.08588	19.8
97.02879	32.9
97.06529	10.6
97.10164	2.1
99.04433	13.6
99.08067	4.4
101.02335	2.1
103.03919	4.7
103.05429	1.6
105.07006	18.3
107.04955	10.2
107.08575	21.9
109.02873	17.5
109.06509	5.8
109.10125	5.7
111.04433	11.2
111.08062	5.6
115.05408	2.1
117.06995	9.9
119.04970	1.8
119.08563	11.7
120.08102	5.1
121.06487	5.3
121.10112	13.4
123.04408	3.1
123.08041	2.5
123.11705	5.5
125.09559	2.1
127.03886	19.9
129.05458	8.0
129.06966	5.4
131.04884	2.3
131.08530	12.3
133.06462	3.8
133.10107	13.4
135.08009	4.3
135.11674	11.0
137.05972	3.9
137.09579	2.8
143.07004	1.5
143.08534	3.5
145.04939	2.9
145.06406	1.8
145.10123	5.8
147.07988	3.1
147.11636	9.7
149.06018	1.9
149.13228	26.6
151.11159	2.3
153.05499	2.0
153.09161	1.7
157.10098	4.2
159.11656	18.1
163.11165	2.1
165.12759	5.9
167.07071	7.2
169.10014	2.4
173.04404	1.9
173.13156	2.2
175.11154	2.3
177.12712	11.5
183.06522	2.7
185.09595	1.5
189.11177	2.6
191.06964	2.8
193.12292	1.5
195.13766	29.6
201.07442	1.9
213.14890	6.5
215.14256	2.2
219.13844	2.0
231.13821	1.9
247.13268	2.1
249.14760	2.9
261.09030	3.3
269.17365	15.8
275.16367	3.0
278.09296	3.2
285.14542	1.9
289.08444	3.0
291.06693	2.1
293.11816	2.5
297.16968	2.6
303.15814	3.3
307.09579	2.3
321.11172	6.8
321.16931	3.9
322.11798	1.5
323.08984	2.7
339.18002	8.1
353.13763	10.4
377.19641	2.9
395.20767	7.1
413.21634	100.0
414.21954	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	413.1409
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.46877	0.3
56.05016	0.7
60.58214	0.3
65.19516	0.3
67.05490	0.3
70.06578	1.3
71.43738	0.5
72.08128	0.6
74.06075	2.2
84.08116	0.8
85.02869	0.6
86.09677	0.8
101.87259	0.3
102.05535	1.4
105.03399	0.4
119.03535	2.6
120.06562	9.3
129.10201	0.5
136.06161	100.0
137.02351	0.4
137.04584	1.8
137.05595	0.3
138.80316	0.3
162.04085	60.0
163.04459	0.4
172.13319	0.6
263.08652	0.3
268.10345	1.3
278.60916	0.3
281.09882	48.5
282.10165	0.5
413.14044	2.0
413.31250	0.5
431.73587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01849	7.1
55.05497	16.5
57.03424	18.0
57.07070	2.6
57.11765	2.9
67.05191	3.1
67.05502	32.1
69.03421	25.6
69.07076	13.5
70.06584	12.7
71.04964	8.3
71.20197	5.2
73.02903	3.3
75.98811	2.3
78.04684	2.5
79.05479	33.3
81.03413	37.1
81.06613	3.1
81.07050	42.2
83.04984	15.8
83.08591	9.2
84.08131	6.3
85.02909	13.8
85.06518	3.9
85.07660	5.6
87.04453	2.5
91.05466	22.1
93.07032	29.3
95.04962	11.7
95.08604	17.6
97.02872	18.9
97.06486	5.7
97.10143	5.4
99.04417	7.1
101.05989	2.7
103.03929	4.6
103.05441	4.5
105.07023	15.0
107.04932	28.0
107.08579	16.3
109.02837	7.9
109.06497	3.9
109.10126	10.2
110.59039	2.2
110.63654	2.8
111.04416	4.2
111.08059	5.4
115.05446	2.4
117.06996	9.8
118.04135	5.2
119.04901	2.8
119.08566	8.0
120.08093	3.1
121.06509	5.9
121.10105	8.7
123.04393	8.9
123.07980	3.0
123.11736	2.4
124.05182	7.8
125.05944	3.9
127.03895	11.3
128.06215	6.1
129.05461	11.0
129.06946	4.8
131.04907	12.8
131.08501	11.5
133.06482	5.2
133.10110	8.3
135.08014	5.7
135.11655	10.4
137.05901	3.4
139.11267	2.4
141.06917	4.5
143.08522	4.0
145.10132	4.5
147.07994	2.3
147.11635	7.3
149.13216	12.8
151.03871	4.6
151.07487	4.4
152.04649	4.4
159.07985	6.0
159.11674	9.5
161.05910	5.3
163.11153	3.6
165.12720	3.2
167.05550	5.1
167.07016	100.0
171.08047	4.5
173.09624	2.9
175.07468	3.6
175.11136	3.6
176.04793	2.6
177.12730	6.1
184.05287	3.2
189.06932	3.1
190.07744	8.7
191.06969	29.9
191.08545	4.9
191.10695	7.2
195.13797	12.1
199.07544	30.3
202.07671	4.2
203.08481	8.2
205.10052	2.9
205.12151	3.7
207.08122	2.8
213.14868	3.4
215.08536	7.6
218.07196	9.2
219.07999	5.2
231.07985	6.7
232.08774	6.9
233.09599	22.4
234.10313	2.8
235.07426	6.9
243.08070	3.8
246.06711	6.8
247.07436	3.6
249.09027	6.5
257.15329	2.6
259.07446	4.1
260.08282	9.2
261.09045	21.8
262.09509	2.4
263.07010	7.9
269.17346	6.8
271.07236	3.1
274.06320	3.6
276.07666	3.5
277.08588	2.7
278.09225	9.1
289.08466	32.6
290.09192	11.3
291.09988	3.4
293.08582	2.9
293.11459	13.2
306.08783	9.6
307.09561	9.2
321.07452	3.6
321.11157	65.4
322.11731	6.9
323.08942	6.5
325.14246	3.4
338.11380	3.9
339.18231	3.2
353.13785	25.5
395.20651	4.6
395.29251	3.5
413.21695	37.7
413.30389	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	412.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01836	1.2
55.05502	3.4
57.03415	2.0
57.63691	0.5
57.80791	0.5
58.06592	3.5
67.05490	6.6
67.86458	0.5
69.03423	4.0
69.07034	2.3
69.40620	3.2
69.41032	1.6
70.06582	3.9
71.01296	0.6
71.04965	1.0
71.08252	0.7
71.08619	10.9
72.08141	7.5
73.02861	0.5
79.05472	2.8
81.03413	4.5
81.07045	8.5
83.04962	1.8
83.08607	1.3
84.04478	1.4
84.08127	3.2
85.02876	2.0
85.06528	0.7
89.67959	0.5
91.05466	2.2
93.07025	4.1
95.04928	2.3
95.08604	2.4
97.02870	2.0
97.06498	1.9
98.06047	4.2
98.21420	1.2
99.04446	1.3
99.08076	19.5
101.02331	0.5
105.07006	2.2
107.04916	0.8
107.08580	2.5
109.02823	1.6
109.06485	1.0
109.10134	1.5
111.04409	0.6
111.08070	0.5
112.07573	0.9
112.11214	3.7
117.06969	1.2
119.08540	1.3
121.02887	0.7
121.06503	0.8
121.10139	1.2
123.11670	1.7
125.09579	0.6
127.03891	1.5
128.10707	2.3
129.05460	0.8
131.04930	0.7
131.08557	1.0
131.63123	0.5
133.10123	1.8
135.08046	0.5
135.11623	0.8
136.07484	0.5
137.05939	0.5
147.11610	0.8
149.09613	0.6
149.13217	1.9
151.11165	1.3
155.15366	1.3
156.13809	100.0
157.14159	2.2
159.07967	0.7
159.11700	1.5
163.11124	0.5
170.15414	1.0
177.12674	1.3
180.13828	4.0
195.13675	1.0
208.16920	4.6
222.18494	7.9
226.17975	4.7
227.21109	3.5
261.08853	0.5
269.17410	1.0
279.24280	1.3
296.26978	1.1
307.09796	0.8
323.09241	0.5
339.12079	0.6
353.13818	2.7
376.33130	1.5
377.31564	2.2
394.34222	71.1
395.34583	3.0
412.35251	40.6
413.16656	0.8
413.21646	6.9
413.35651	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	412.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05499	1.9
57.03424	1.0
58.06594	3.1
67.05496	4.6
69.03423	2.4
69.07041	2.2
70.06577	1.7
70.36109	2.3
70.36646	0.5
71.04968	1.1
71.08623	8.3
72.08146	6.4
79.05487	2.8
80.69542	0.5
81.03408	3.5
81.07047	7.2
83.04961	1.6
83.08610	1.0
84.04470	0.7
84.08137	3.2
85.02878	1.3
85.06518	1.4
91.05462	2.7
93.07038	2.8
95.04923	0.7
95.08582	1.5
97.02878	1.7
97.06526	1.3
98.06042	8.1
99.08085	13.6
101.74056	0.4
103.54964	0.5
105.07030	2.2
107.04920	0.5
107.08578	3.3
109.02840	1.1
109.10135	3.0
112.07563	0.9
112.11227	3.6
119.08587	1.1
121.10150	0.8
123.11670	0.5
128.10710	1.0
131.08548	0.9
133.10112	2.8
135.11650	0.6
145.10072	0.5
147.11674	0.6
149.13264	1.1
151.11133	0.9
155.15398	0.7
156.13823	73.4
157.14159	1.5
159.11702	0.8
167.71843	0.4
169.23201	0.4
170.15375	2.9
177.12767	0.5
180.13748	0.6
195.13750	1.5
198.14882	1.4
208.16905	2.8
226.17993	18.1
227.18376	0.8
227.21097	0.9
240.19518	3.5
244.23801	0.6
269.17477	0.9
297.25449	0.6
314.11734	0.5
314.27963	0.6
353.13867	0.6
394.34286	2.4
395.32785	1.5
412.35281	100.0
413.21628	5.2
413.35474	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	410.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01853	0.6
55.05492	1.4
56.38383	0.3
57.03411	0.4
58.06591	2.0
67.05486	1.6
69.03398	0.4
69.07034	0.5
69.73248	2.5
70.06572	0.7
71.04952	0.4
71.08620	5.9
72.08140	4.5
79.05476	6.2
81.07041	8.7
83.04971	0.5
83.08607	0.6
84.04471	0.6
84.08112	2.1
85.06532	0.9
91.05451	1.5
93.07032	4.9
95.04943	0.7
95.08582	2.0
98.06032	1.3
98.06653	0.4
99.08075	10.5
103.17339	0.3
105.07000	1.5
107.04935	1.7
107.08571	5.2
112.11250	1.8
119.08539	0.5
121.10129	3.5
123.37688	0.4
128.10699	0.9
129.13872	0.5
131.08546	1.7
136.07567	0.4
139.11087	0.4
149.09598	4.1
154.12244	0.8
155.15388	2.0
156.13811	57.5
157.14136	1.3
167.10617	0.3
170.15382	1.8
178.12192	0.8
196.13274	0.4
206.15387	2.3
220.16940	0.9
223.18193	0.3
224.16425	15.3
226.22702	0.4
227.21214	1.3
238.18073	2.8
244.23888	0.6
252.03325	0.3
295.23758	1.0
309.32596	0.3
312.26373	0.7
392.32599	5.1
393.31128	1.5
410.33694	100.0
411.34024	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	410.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07729	0.3
50.54648	0.3
51.08034	0.3
53.03938	0.4
55.01847	0.8
55.05503	2.8
56.00994	0.3
57.03416	0.9
58.06596	2.7
59.18546	0.3
65.03919	0.5
65.42235	0.3
67.05495	2.7
69.03420	0.8
69.07069	0.5
70.06573	0.8
70.27100	0.5
70.27516	1.0
71.04977	1.3
71.08621	7.5
72.08142	5.3
79.05484	7.6
81.03413	0.6
81.07040	4.2
82.06562	0.4
83.04964	0.9
84.04459	0.6
84.08131	1.5
85.14677	0.3
91.05465	2.6
93.07034	7.0
95.04938	1.9
95.08566	1.0
96.08141	0.4
97.02884	0.4
97.06535	0.4
98.06038	1.2
98.21333	0.5
99.08079	14.0
105.07011	2.5
107.04942	4.1
107.08581	11.0
109.06522	0.7
112.11221	3.4
113.05990	0.3
116.10667	0.3
119.08527	0.3
121.10123	3.6
128.10706	1.9
129.13876	0.5
131.08524	1.9
133.10199	0.3
136.07602	0.3
138.09135	1.6
149.09618	3.9
152.10690	0.5
155.11610	0.3
155.15405	2.2
156.13817	76.2
157.14165	1.8
164.10686	0.6
166.12253	1.3
170.15358	1.6
178.12254	1.0
180.13852	0.5
198.37569	0.3
206.15364	1.6
220.16948	1.7
224.16417	10.2
225.16789	0.4
226.22797	0.4
227.21092	1.5
238.18008	4.7
244.23831	0.9
295.23831	1.0
312.26553	0.7
320.47910	0.3
392.32697	3.1
393.31085	1.6
410.33716	100.0
411.33997	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	412.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
58.06586	2.6
62.96072	0.3
67.05501	3.0
69.03403	0.5
69.07049	0.7
70.06573	1.3
70.13393	1.4
71.04988	0.6
71.08254	0.6
71.08622	8.3
72.07764	0.4
72.08142	6.9
79.05489	1.4
81.03398	0.3
81.06694	0.3
81.07047	3.6
83.04982	0.5
83.08574	0.6
84.04480	1.2
84.08133	3.0
85.06520	0.6
91.05460	1.3
93.07025	1.2
95.04913	0.4
95.08592	0.8
97.06509	0.4
98.05419	0.2
98.06031	5.4
99.06836	0.5
99.08077	15.4
105.07014	2.4
107.08572	2.8
108.03197	0.3
109.10148	3.1
110.06013	0.9
112.07573	1.2
112.11236	3.3
114.09145	0.4
117.94035	0.3
121.10170	0.5
123.11680	0.6
124.07565	1.0
125.09600	0.8
126.09184	0.3
128.10661	2.1
129.13902	0.3
131.55458	0.3
133.10121	3.1
137.05872	0.3
138.09103	0.6
145.06439	0.3
145.10123	0.3
145.97859	0.3
151.11172	0.8
155.15387	0.9
156.13812	73.8
157.14142	1.2
167.07018	0.3
170.15387	2.1
180.13814	2.2
198.14835	1.7
208.16910	5.7
220.79245	0.3
222.18500	2.0
225.19640	0.3
226.17976	13.6
227.21210	1.2
234.14865	1.1
240.19527	2.4
244.23827	0.7
297.25272	0.5
353.13654	0.5
394.34198	3.6
395.32648	1.2
412.35269	100.0
413.21292	0.4
413.35632	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	410.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51257	0.4
52.55085	0.4
55.05495	0.7
56.05006	0.8
56.96578	0.6
57.03416	0.5
58.06579	1.4
65.03921	0.9
67.05498	0.8
69.03394	0.6
69.07056	9.6
70.06571	2.0
71.33134	1.0
72.08144	6.9
73.06568	0.8
79.05476	1.1
81.07017	0.9
84.04498	1.0
84.08136	3.2
85.02891	1.3
86.09669	2.5
91.05418	0.5
91.72812	0.4
95.04960	0.5
96.08099	0.8
97.02909	0.5
97.06510	3.1
98.06028	1.6
98.09666	1.8
105.07079	0.6
110.07205	0.7
112.11225	4.2
115.07540	5.5
116.10720	1.3
118.01189	0.5
121.02814	0.7
123.02810	0.4
125.06026	0.4
126.09117	2.8
136.01590	0.5
136.07507	1.2
141.05458	1.6
147.09224	0.6
151.03885	100.0
151.04904	3.8
152.04248	2.1
154.12253	3.5
156.10191	0.8
168.13806	2.0
171.14897	0.8
172.13301	29.3
185.16449	1.0
186.14896	2.7
196.03232	0.6
201.12350	1.1
208.09660	55.6
209.09988	1.8
222.11206	3.3
242.22360	0.8
243.20595	2.3
254.96356	0.5
260.23343	2.8
261.10748	0.5
262.10825	0.5
263.11288	0.7
273.03885	1.1
277.03757	0.5
279.16977	1.1
296.19720	1.6
325.13638	0.5
326.06876	0.5
335.05972	0.6
344.38727	0.5
347.89871	0.5
392.25397	2.1
393.24265	0.6
410.26443	91.7
411.11859	0.5
411.26785	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	409.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06628	1.1
53.03939	1.4
55.01870	5.8
55.05501	14.6
55.29167	0.9
57.02924	1.2
57.03423	6.4
57.07065	6.3
59.04985	1.4
59.27637	1.2
65.03922	1.2
67.05496	20.2
69.03409	3.0
69.07051	17.1
71.04990	2.5
71.08620	14.6
71.69879	1.0
71.70344	1.7
79.05469	13.0
81.07041	31.4
83.04963	2.7
83.08599	7.1
85.06538	4.6
91.05460	14.0
93.07026	23.1
95.04950	19.1
95.08590	21.7
97.06510	8.0
97.10179	1.3
99.08060	10.9
105.07003	15.6
107.04963	1.3
107.08582	15.0
109.06503	40.8
109.10146	10.0
111.08102	1.6
117.07007	3.9
118.97703	1.0
119.08555	10.7
121.06478	11.8
121.10114	8.0
123.08025	5.0
123.11700	4.0
131.08562	6.9
133.10103	8.2
135.08052	6.0
135.11679	6.7
137.09610	2.3
139.11131	1.8
143.08508	1.6
144.64133	1.1
145.10068	8.9
147.08076	3.0
147.11658	5.9
149.09637	3.5
149.13239	3.1
151.11148	2.2
159.11711	3.4
161.09596	1.9
161.13228	2.9
163.11160	9.3
163.14836	1.9
165.12727	81.1
166.13133	1.7
169.10094	1.1
173.13301	1.5
175.14766	1.6
175.46164	1.1
177.12750	4.5
179.14371	2.5
183.11804	1.2
185.13219	1.6
187.11304	1.2
187.14775	1.8
191.14262	5.9
197.09599	1.1
201.16403	1.8
203.14278	1.7
209.18985	11.1
219.17464	3.1
221.15363	2.0
233.19000	2.3
249.18489	1.6
261.18536	1.8
279.19592	1.9
279.26855	1.1
289.25208	18.5
299.23932	1.2
307.26138	3.0
317.24701	100.0
318.25211	2.5
335.25769	35.2
335.29807	2.2
336.26056	1.1
391.28308	12.1
409.29501	59.3
410.29922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01857	4.4
55.05254	2.0
55.05508	12.7
57.03421	5.9
57.07070	8.4
59.56149	1.3
65.03895	1.8
67.05495	21.1
69.03431	1.7
69.07054	19.1
70.89959	3.5
70.90334	2.5
71.04981	1.7
71.08625	13.8
79.05483	17.2
81.07044	33.5
83.04965	3.7
83.08610	6.3
85.06551	4.9
91.05463	13.8
93.07028	22.0
95.04951	24.6
95.08581	19.7
95.37971	1.3
97.06517	10.2
97.10197	2.7
98.00781	1.5
99.08071	10.4
105.07005	17.1
107.08574	13.9
109.06509	43.9
109.10141	12.0
111.08080	2.0
117.06998	4.0
117.57100	1.3
119.08545	14.8
120.54828	1.3
121.06493	11.5
121.10105	6.8
123.08065	3.1
123.11705	4.1
129.07072	1.7
131.08545	7.1
133.10149	9.0
135.08046	6.9
135.11696	4.9
139.11177	2.4
143.08565	1.8
145.10114	11.0
147.11699	5.4
149.09659	2.0
149.13254	3.0
159.11711	5.2
161.13268	3.6
163.11105	8.2
165.12733	90.7
169.50336	1.5
173.13251	2.1
175.14957	2.7
177.12650	3.4
179.14301	4.0
191.14336	5.5
195.11783	1.5
201.16364	2.1
203.14410	1.8
209.18997	9.0
219.17458	3.4
221.15404	2.2
249.18549	4.0
261.18549	3.8
275.20218	1.6
279.19653	4.3
289.25223	20.4
307.26453	2.6
317.24710	100.0
318.24872	6.7
335.25760	30.9
391.28406	11.7
409.29517	56.6
410.30014	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.0
52.73996	2.3
53.03926	4.0
55.01849	3.1
55.05504	18.7
57.07076	11.6
59.04975	4.2
62.67247	1.8
67.05495	23.2
69.03422	11.4
69.07040	9.4
70.12695	8.1
71.04969	3.8
72.79527	2.0
79.05484	24.6
81.03379	2.7
81.07040	35.6
83.04974	4.0
85.06520	4.5
91.05457	40.6
93.07025	51.0
95.04949	50.1
95.08586	30.6
97.06512	12.5
103.05449	4.8
105.07009	100.0
106.07299	3.6
107.04925	2.4
107.08564	25.3
109.06487	14.1
109.10132	23.7
111.08018	2.2
112.04084	2.2
115.05443	3.2
116.06185	2.6
117.07003	12.7
119.04908	2.9
119.08564	61.8
121.06498	18.9
121.10104	17.8
123.08046	20.5
125.05976	3.4
125.09537	2.9
128.06172	6.5
129.06975	7.4
130.07724	4.9
131.08543	26.5
133.06468	5.3
133.10092	22.9
135.08018	15.8
135.11618	4.2
137.09560	10.1
141.06929	5.6
142.07718	15.2
143.08546	20.5
144.09315	3.8
145.06488	3.9
145.10094	36.8
147.07996	19.1
147.11667	27.9
149.09579	8.1
151.07506	22.8
153.09120	3.5
155.08496	10.3
156.09312	6.1
157.10092	24.5
158.10909	2.7
159.08026	7.2
159.10698	1.9
159.11678	19.0
161.09579	7.5
161.13232	5.6
163.11166	5.4
165.09082	37.0
167.08524	2.3
168.09354	6.2
169.10075	16.0
170.10841	2.3
171.11667	14.9
173.09587	6.0
173.13240	8.3
175.11127	22.3
177.09029	2.3
179.08679	2.4
181.10112	6.1
183.11662	12.9
185.09602	2.2
185.13264	6.7
187.11169	5.0
189.12720	6.6
191.14246	2.3
193.09991	2.5
195.11572	5.2
196.12299	3.4
197.13100	5.0
199.11183	4.3
199.14867	3.3
201.12724	10.2
203.14282	15.1
207.13739	12.1
209.13188	4.0
209.15256	3.6
211.11203	2.5
211.14732	7.1
215.14236	2.5
219.11798	2.8
219.13814	4.4
221.15321	68.6
222.15739	2.6
225.16428	3.0
229.15848	7.5
233.15268	4.1
234.13930	2.1
234.15976	10.1
235.14757	2.7
252.08264	2.3
286.19177	3.4
287.19925	8.9
329.20999	6.1
335.20038	2.5
391.25946	3.5
409.27255	49.1
409.32220	4.1
410.27560	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.05502	20.8
55.22738	1.3
57.07063	6.8
59.04987	2.3
65.03916	3.2
67.03150	1.2
67.05496	19.9
69.03407	7.7
69.07050	6.0
71.04994	1.3
77.03960	1.7
79.05476	19.8
81.07037	29.6
83.04968	5.3
83.08627	1.8
85.06528	3.4
86.14688	1.2
89.29540	1.3
91.05462	37.7
93.07029	43.7
95.04954	48.6
95.08591	26.5
97.06527	9.0
103.05460	3.4
105.07010	100.0
107.04921	2.6
107.08573	26.5
109.06509	10.6
109.10127	5.9
111.08090	1.7
117.06995	15.5
119.08561	64.9
120.08847	2.3
121.06495	15.4
121.10120	13.4
123.08059	16.5
128.06236	4.3
129.06963	8.3
130.07817	3.9
131.08553	21.0
133.06496	4.1
133.10106	15.7
135.08031	15.1
135.11705	5.0
137.05971	2.8
137.09573	11.6
141.06966	5.5
142.07748	12.8
143.08549	13.4
144.09349	1.9
145.06462	4.3
145.10092	35.2
147.08032	19.0
147.11664	42.2
149.09592	14.5
151.07509	18.2
153.09103	1.9
154.07755	1.3
155.08517	7.2
156.09343	5.0
157.10097	19.5
158.07219	1.8
159.08034	6.3
159.11665	11.9
160.08742	1.6
161.09596	5.8
161.13307	3.4
163.11163	6.2
165.09079	35.0
165.42126	1.4
167.08484	2.2
168.09370	3.9
169.10144	9.7
170.10962	2.3
171.08066	1.5
171.11685	7.0
173.09593	6.8
173.13277	7.4
175.11168	26.5
175.14809	2.4
177.09125	3.9
178.09871	2.5
181.10165	4.8
181.12189	1.7
183.11673	10.5
185.09680	2.5
185.13261	3.7
187.11169	4.0
187.14810	3.3
189.12761	5.7
191.14209	1.6
192.09283	1.8
195.11700	4.0
196.12408	2.2
197.13174	3.2
199.11122	3.5
201.12737	13.2
201.16376	3.5
203.14273	15.0
206.10901	1.6
207.12003	1.5
207.13756	8.0
209.13269	3.1
209.15213	2.6
211.11166	1.7
211.14819	4.7
213.12651	3.6
215.14355	2.6
216.14987	1.6
219.13812	4.1
221.15324	73.6
222.15765	1.6
227.14255	2.6
229.15855	5.4
231.13704	3.0
233.15302	2.2
234.16129	15.9
235.16899	1.4
237.16493	1.4
243.13718	2.5
274.62521	1.4
281.18781	2.0
286.19162	2.6
287.20081	9.1
299.19882	2.1
300.20831	4.9
329.21039	5.5
391.26147	4.9
409.27301	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05494	2.5
57.03423	0.6
67.05492	8.1
67.94188	0.5
69.07047	1.6
69.96758	3.4
71.04987	0.6
79.05476	4.9
81.03393	0.9
81.06606	0.9
81.07047	12.1
82.48397	0.5
83.04987	0.8
83.08605	1.4
85.06548	0.5
86.06067	0.6
87.04447	1.0
91.05481	3.4
93.07031	3.6
94.46222	0.5
95.04955	0.8
95.08572	2.1
101.08089	0.5
104.07097	0.9
105.07018	3.5
107.04935	1.7
107.08580	1.8
109.06500	2.8
109.10155	3.5
117.06959	0.7
119.08564	2.8
119.09860	0.7
121.06400	0.6
121.10091	1.1
123.08037	0.9
125.09592	0.5
129.06953	0.6
131.08571	1.7
133.10114	1.7
135.08046	0.6
135.11671	2.1
137.09698	0.6
145.10110	1.3
147.11678	1.8
149.09503	1.4
155.08485	0.6
157.10074	0.7
159.11705	0.8
163.11159	1.1
175.11220	0.7
193.12279	0.6
253.44029	0.7
257.18924	0.8
275.20013	5.8
409.25595	100.0
410.25803	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	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
53.09525	1.8
55.01856	2.8
55.05496	15.1
57.07061	6.9
59.04974	2.9
65.03925	2.5
65.57515	1.4
67.05493	20.4
69.03410	6.7
69.07062	7.5
71.70290	2.1
79.05483	22.2
81.07042	29.2
83.04971	5.5
85.06546	3.6
91.05469	30.8
93.07025	39.8
95.04954	46.0
95.05571	2.8
95.08588	17.7
97.06510	6.7
101.13895	1.6
103.05433	3.3
105.07010	100.0
107.04963	2.6
107.08569	21.8
108.79550	1.8
109.06512	12.1
109.10136	9.3
115.05431	3.1
117.07014	13.4
119.04916	3.3
119.08558	59.2
121.06488	11.6
121.10134	14.2
123.08047	14.1
125.09699	2.0
128.06223	5.3
129.06987	7.4
130.07771	4.3
131.08540	20.1
132.09340	2.2
133.06488	3.0
133.10094	17.9
135.08040	12.2
135.11639	4.1
135.47426	1.8
137.09613	9.1
141.06935	4.4
142.07733	9.5
143.08549	10.5
144.09299	2.6
145.06435	2.2
145.08972	2.7
145.10097	31.1
147.08043	15.7
147.11653	42.9
149.09584	9.6
151.07530	13.6
153.07031	1.7
153.09047	3.1
154.07669	2.0
155.08508	5.7
156.09377	2.9
157.10075	14.4
158.60966	1.5
159.08040	4.2
159.11658	10.2
161.09575	5.7
161.13194	4.3
163.11110	3.8
165.09088	31.9
167.08531	2.2
168.09274	2.1
169.10048	7.5
170.10915	2.7
171.11618	7.7
173.09601	4.7
173.11766	2.7
173.13220	6.1
175.11145	25.7
175.54645	1.8
177.09071	3.8
179.08534	2.6
181.10114	3.6
181.12222	1.9
182.10915	1.8
183.11678	7.0
185.13280	5.4
187.11166	5.1
187.14746	2.2
189.12689	5.1
191.14226	2.4
193.10045	2.0
195.11555	3.3
197.13235	2.9
199.11113	2.4
201.12721	10.0
201.16252	1.8
203.14250	14.4
207.13776	7.3
209.13277	3.6
209.15225	2.3
211.14816	5.7
213.12715	4.8
219.13811	4.2
221.15323	60.7
223.14748	1.8
225.16464	2.2
229.15933	3.9
231.13727	4.0
234.16113	14.3
253.16008	1.6
286.19180	4.4
287.19971	5.2
300.20844	4.5
329.21051	3.4
391.26056	3.4
409.27374	33.3
409.32898	3.2
410.27588	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	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72122	0.3
55.05494	0.5
67.05502	2.6
67.87370	0.3
69.07038	0.5
70.06551	0.4
79.05486	1.0
81.07048	1.6
83.08636	0.4
85.06516	0.3
91.05456	1.2
93.07027	1.0
95.04954	0.7
95.08588	1.1
97.06489	0.4
98.21494	0.6
100.11238	1.5
101.21783	0.3
105.07023	0.6
107.08566	1.0
109.10123	0.9
111.08021	0.4
119.08545	0.6
121.10116	0.7
131.08485	0.4
133.10088	0.7
135.11713	0.4
142.69832	0.3
145.10162	0.6
295.15057	0.7
309.16788	0.5
340.94885	0.3
388.04761	0.3
409.25568	100.0
410.25726	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	409.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45411	0.4
55.05486	0.4
59.24159	0.3
64.18769	0.3
67.05501	2.8
69.07071	0.4
69.42577	3.9
77.60408	0.3
79.05460	1.0
81.07027	1.2
83.04965	0.5
91.05446	0.6
93.07021	1.3
95.08611	2.4
97.06527	0.4
107.08567	0.6
109.06516	0.5
109.10147	0.8
119.08543	0.4
127.73927	0.3
130.99985	0.4
135.11676	0.7
182.59224	0.4
194.98946	0.4
197.28630	0.3
212.11349	0.5
243.14520	0.5
259.04492	0.4
291.89075	0.4
336.84998	0.5
353.21774	0.5
353.55994	0.4
409.25558	100.0
410.25861	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	409.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
57.03413	6.9
65.03939	3.1
68.99785	4.0
69.66396	15.8
81.03401	4.5
85.02890	21.3
93.03355	2.0
95.04949	5.9
97.02849	2.6
98.21550	2.0
103.03914	2.5
107.04951	2.6
109.02855	4.9
111.04411	2.3
121.02843	80.2
122.03210	3.1
123.04403	4.2
125.02329	2.1
127.02473	1.7
135.04366	4.8
144.43985	1.8
147.04352	3.9
149.02277	4.6
151.03836	2.1
153.01833	3.4
159.04417	2.2
163.03891	9.8
165.01813	35.5
167.03416	2.6
171.02853	3.3
177.01797	28.7
183.02838	16.2
187.03893	4.3
189.01776	7.9
191.03346	29.2
193.01271	2.7
195.02855	100.0
196.03282	3.0
203.03368	4.4
207.02800	5.1
209.04459	4.3
215.03371	4.6
217.01358	2.9
219.00824	1.1
219.02829	38.1
231.02841	46.6
232.03189	2.9
237.03867	4.0
242.87422	2.2
243.02895	9.0
247.06081	6.0
249.03929	16.5
259.05960	25.7
260.06317	2.1
261.03912	19.6
271.05957	32.5
279.04944	7.3
285.07333	2.4
289.06982	19.9
313.07010	50.4
325.07031	30.0
326.07086	2.9
337.07080	10.3
343.07855	2.9
355.07898	15.1
373.09106	13.5
391.10074	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	409.082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.8
58.99864	1.9
69.03445	2.6
71.14698	3.5
71.15038	3.2
71.51570	1.5
77.00900	3.2
79.02155	2.0
82.99889	5.8
85.02869	2.1
85.98118	1.9
86.39593	1.6
94.99881	1.8
97.02895	3.5
98.97557	2.9
101.00864	23.6
103.02462	2.1
105.00323	2.2
105.02181	2.8
110.01366	2.1
113.00868	4.3
115.02412	11.9
116.01292	1.7
119.01901	71.2
119.34218	1.7
121.02834	2.0
127.02415	5.3
131.01886	35.3
133.03447	38.2
137.02957	14.5
142.03482	3.2
143.01884	70.3
144.98041	2.0
145.03455	29.3
146.87033	1.8
146.99539	2.1
147.01401	3.4
147.05078	2.3
149.02895	8.4
151.04518	7.9
153.01369	3.3
153.09958	1.7
155.01866	27.2
157.03392	10.7
159.01413	4.0
159.05031	2.0
161.02936	99.5
162.03110	3.6
163.04568	3.2
165.01482	3.4
168.99777	19.5
169.03517	5.0
171.01338	16.2
173.02936	66.2
174.01907	3.0
175.00938	2.0
175.04526	6.3
177.02385	2.4
183.01457	6.6
184.04500	5.6
185.02922	15.0
187.00859	21.1
187.04492	6.2
188.97073	2.5
189.02440	32.0
191.04059	14.5
193.00058	4.0
195.02786	6.5
196.04582	3.7
196.99359	2.7
197.02946	7.0
199.00853	15.5
199.04524	3.3
200.01794	1.9
201.02406	17.8
203.03967	18.1
206.98189	1.7
207.03488	6.4
211.00938	4.4
213.02417	11.1
213.48698	1.7
215.00232	15.3
215.03978	5.0
216.02904	2.2
217.01910	36.1
219.03596	10.9
221.05074	4.7
227.04057	2.3
229.01973	11.3
231.03500	41.9
232.03627	3.2
237.03410	2.3
238.02446	2.4
239.03633	2.2
240.03535	2.1
241.01932	3.0
243.03490	4.5
245.04965	3.3
247.03004	10.5
249.04611	9.3
251.02477	2.5
253.01927	2.8
257.01196	2.3
259.03006	14.1
261.04517	6.3
263.06079	5.3
267.04532	2.6
271.03073	5.8
271.06015	2.3
273.04196	2.6
275.02448	16.5
277.04086	1.9
289.03992	86.0
301.03961	35.7
302.04395	2.3
303.09140	8.7
305.07086	2.7
307.05051	100.0
308.05231	4.0
319.05051	30.6
321.06918	2.3
325.06802	3.8
329.06842	2.5
330.06625	8.3
333.06580	5.3
337.06497	2.7
342.06799	3.8
347.08243	2.1
349.06366	6.3
367.08392	2.6
373.05966	2.5
377.05667	4.4
391.07013	4.0
409.03238	2.2
409.08835	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	409.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.1
56.96544	7.6
57.03426	8.9
60.71256	3.5
61.02922	3.5
68.99770	3.8
71.23074	11.2
72.38472	3.6
77.34071	3.8
81.03385	8.5
82.99846	4.0
85.02886	23.6
95.04959	6.2
97.02875	5.8
98.97559	5.3
101.00869	21.8
109.02856	4.2
113.00872	7.2
115.02402	5.9
116.98627	4.5
119.01890	66.2
121.02835	66.4
123.04465	6.6
124.74026	4.3
130.78343	4.2
131.01871	40.6
133.03439	38.2
137.02936	9.9
143.01875	72.7
145.03452	32.5
146.99516	4.8
147.01392	7.9
147.04396	11.4
149.02962	6.6
155.01868	40.0
157.03508	9.0
159.04994	4.4
161.02924	100.0
162.03113	5.6
163.03934	12.8
165.00636	3.8
165.01765	24.5
168.99826	11.5
169.03426	8.2
170.62239	3.9
171.01360	17.6
171.02692	4.2
173.02933	69.6
177.01794	27.8
183.01361	6.0
183.02794	22.0
185.02925	12.7
187.00795	20.7
187.04466	7.3
189.02461	32.6
189.05540	4.7
191.03497	24.0
192.04060	4.2
195.02869	86.6
196.99261	4.1
197.02919	13.0
199.00925	18.3
199.04491	4.8
201.02411	15.6
203.03918	16.7
207.03299	13.5
213.02452	7.1
215.00359	14.4
215.03918	5.5
217.01894	34.0
218.02141	5.1
219.03040	27.8
221.05005	8.6
229.01894	7.1
230.02512	4.3
231.03230	68.0
233.04681	7.9
239.05957	5.2
243.03288	5.5
247.02641	7.3
249.04105	16.6
257.01575	4.3
259.02960	17.8
259.05908	23.7
261.04071	16.6
263.05966	5.9
265.05548	13.6
271.03183	8.8
271.05966	28.8
271.89795	3.7
275.02499	11.7
279.05136	6.4
289.03992	73.4
289.07007	13.6
290.04266	8.6
301.03925	37.8
303.09198	8.9
307.05005	86.9
308.05301	12.9
313.07007	39.8
317.03534	8.0
319.05087	28.5
325.07065	28.8
326.07193	4.7
330.06683	8.2
333.06558	5.2
337.06757	7.1
343.08041	5.0
349.07407	12.5
355.08081	11.5
367.08762	13.4
373.09329	6.4
385.09613	5.5
391.06891	5.9
409.03442	4.5
409.10950	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	408.323
Annotation	Miltefosine
Peak:m/z	Relative Intensity
56.05031	2.5
57.07082	1.7
60.08154	19.4
67.05490	0.4
71.07364	14.4
71.08617	0.8
81.07014	0.5
86.09692	83.2
87.10028	1.3
93.07023	0.6
97.06516	0.4
98.21484	0.8
98.98454	12.4
104.10735	2.6
109.31267	0.3
110.39542	0.3
112.32329	0.3
115.83113	0.4
116.99452	0.4
124.99982	83.1
126.00311	0.5
131.08522	0.3
139.98332	0.3
143.01001	0.9
166.02602	0.8
184.07312	30.0
201.67711	0.3
317.24823	0.8
408.32312	100.0
409.32800	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	5.8
57.03419	2.9
58.81036	2.4
59.48697	2.4
69.03422	3.7
74.20307	2.2
77.00874	2.9
82.99848	5.0
84.00640	2.6
84.08136	4.3
85.02883	17.4
97.02877	4.1
98.97561	5.6
101.00877	24.3
103.00665	2.4
103.02406	4.1
105.08790	2.7
109.02856	4.5
113.00874	9.6
115.02416	9.4
116.98612	4.1
117.04015	2.4
119.01081	5.4
119.01903	79.1
120.01948	3.1
120.08105	2.6
121.01690	2.6
121.01869	3.0
121.02838	37.8
121.03645	3.2
123.04469	4.1
127.02399	4.3
127.03918	3.1
128.98602	3.5
129.04013	2.9
131.01891	42.0
133.02501	2.7
133.03461	46.6
135.03258	2.6
137.02927	13.9
139.66342	2.3
143.01883	67.0
144.00810	2.3
144.01993	2.8
145.03471	36.7
146.03526	2.3
146.99577	3.8
147.01360	10.0
149.02908	10.5
151.04538	6.2
153.01718	2.7
154.03432	3.8
155.01872	35.6
157.03415	15.2
161.02940	100.0
162.03084	3.3
163.03966	3.6
165.01768	14.2
168.99817	11.1
169.03384	6.1
171.01372	22.6
171.04953	3.7
173.02945	73.8
175.04449	8.5
175.71568	2.7
177.01872	10.7
183.01373	5.7
183.02879	12.5
184.04570	4.8
185.02927	19.8
187.00847	24.3
187.04501	8.1
189.02451	34.2
189.06113	3.3
191.03864	22.7
192.99953	5.3
195.01295	2.9
195.02850	54.1
196.99223	2.7
197.02917	9.3
197.74480	2.6
199.00879	16.2
199.04443	5.4
201.02444	20.3
203.04012	24.6
207.03496	15.3
211.00920	3.9
211.04477	3.6
213.02464	7.7
215.00374	17.3
215.03896	6.8
217.01913	43.7
218.02196	2.6
219.03287	24.0
221.05003	6.5
223.04527	3.2
229.01892	12.3
229.68849	2.5
231.03400	50.5
241.01814	2.8
243.03223	9.5
245.05075	4.1
247.02852	13.5
249.04265	10.0
257.01480	5.5
259.02982	18.9
259.05951	10.6
261.04138	16.4
263.06113	4.2
271.03128	5.1
271.06055	13.4
273.04428	2.8
275.02405	16.6
277.04111	2.9
279.04764	3.0
283.05884	3.0
285.01117	2.7
289.03983	87.3
289.06992	7.3
290.04285	5.1
301.03931	35.8
302.03946	3.3
303.09195	10.3
307.05066	88.8
308.05136	6.0
313.07019	20.2
317.03366	8.3
319.05020	27.5
325.07025	18.7
330.06738	7.5
333.06519	10.4
335.02618	3.4
337.06876	5.8
347.07999	3.6
349.06122	4.2
355.08044	4.4
373.09332	3.4
377.05466	4.1
409.11600	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	408.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01853	1.9
55.05487	1.0
56.39228	0.6
58.06599	2.6
65.03931	0.8
67.05479	0.8
69.03400	2.3
69.45728	0.5
69.46040	5.5
70.06585	3.2
71.04991	0.7
71.08241	0.8
71.08617	12.5
72.08142	7.4
79.05474	3.2
81.03420	2.4
81.07037	1.1
81.65900	0.5
84.04480	1.8
84.08128	3.7
84.08549	0.7
86.09688	0.7
89.08309	0.6
91.05466	36.8
93.07043	3.1
95.04929	1.6
95.08596	0.5
97.02865	0.9
98.06050	3.3
98.21486	1.0
98.97615	0.6
99.08075	18.7
103.05435	0.7
105.03355	1.5
105.07009	4.6
107.04929	4.5
110.09722	0.5
112.07563	2.0
112.11212	4.0
113.07109	1.3
117.07014	3.3
118.39756	0.5
119.08559	23.9
120.08070	4.2
120.08880	1.3
121.06437	0.5
121.10157	0.8
126.09099	2.5
126.72958	0.5
128.06195	0.9
128.10681	2.4
129.06952	2.1
129.13889	0.8
131.08530	1.0
132.05701	2.2
136.07538	4.0
137.05994	0.6
138.09065	1.5
145.06456	0.9
147.08018	15.8
148.11185	1.4
150.09106	0.9
155.11801	4.8
155.15398	2.8
156.13812	96.6
157.14194	2.6
162.96718	0.5
167.07056	0.7
170.15398	4.4
176.10695	4.8
180.10217	0.6
190.60582	0.6
204.13792	11.5
218.15372	3.5
222.14879	2.2
226.22746	0.8
227.21111	1.9
236.16423	0.6
244.23885	1.4
270.21652	3.4
275.21225	0.9
296.51617	0.5
299.09146	0.6
372.29971	1.2
373.28613	1.4
390.31088	49.4
391.31577	3.0
407.33426	0.6
408.32150	100.0
409.32291	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	408.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.41499	0.5
58.06589	3.4
70.06582	2.2
71.08253	0.7
71.08623	11.9
71.69853	0.6
72.07767	0.6
72.08142	7.2
81.07029	0.6
84.04475	0.9
84.08125	3.1
86.09705	2.6
86.66531	0.4
91.05453	1.1
92.05795	0.5
99.08078	20.5
106.02895	0.9
112.11225	3.1
120.08070	3.8
121.02827	0.6
121.52455	0.4
123.04408	10.6
123.05264	0.8
128.10689	2.8
132.10207	0.7
136.07553	1.0
137.05927	0.7
141.47417	0.4
155.15356	1.0
156.13814	100.0
157.14194	2.4
165.05443	4.8
194.95256	0.4
215.13800	0.6
227.21143	1.2
236.12772	5.9
253.15401	0.5
275.04663	0.5
276.04752	0.5
285.03943	0.8
287.04608	0.5
292.20117	0.4
293.18500	1.5
310.21075	0.7
319.87024	0.4
390.27435	1.2
391.25867	2.0
408.28497	82.5
409.28842	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	408.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03926	2.1
55.01837	0.8
55.05490	0.8
56.05023	0.8
57.03432	0.8
58.39295	0.5
59.04946	0.7
67.05496	1.4
68.75876	0.6
69.03425	6.8
69.07050	0.7
70.05042	2.3
70.05458	1.4
70.06576	5.7
71.04990	1.2
72.08142	1.4
73.02905	0.7
78.03443	11.5
79.05452	1.2
80.05000	3.1
81.03402	13.9
81.07050	1.1
83.04980	1.1
84.04484	1.2
84.08125	3.5
85.02896	7.8
86.09689	4.7
91.05468	1.3
93.07044	0.8
95.04955	1.0
96.04473	6.3
97.02882	4.2
97.10147	0.7
98.06074	0.7
98.97562	0.8
99.04443	2.6
105.03389	0.7
105.07021	0.7
106.02899	46.8
107.03218	1.2
107.08614	0.9
109.02863	49.3
109.10130	0.9
110.03204	0.7
111.04431	1.2
120.08113	1.1
121.02854	6.3
122.03173	0.8
123.03328	0.8
123.04404	0.6
123.11761	0.6
124.03932	100.0
125.04258	1.9
127.03896	7.2
129.10191	0.7
133.10101	1.9
136.07535	0.8
137.05984	0.9
139.03896	0.9
141.05446	19.2
165.05392	0.6
166.05002	0.8
175.11186	0.8
182.15382	1.1
193.12228	1.4
196.05981	0.8
199.18018	1.0
200.16379	3.7
211.13266	2.1
218.12892	0.6
223.09262	0.7
250.07089	20.6
251.07460	1.3
268.08115	42.2
269.08514	1.9
270.09369	0.9
285.03983	2.3
298.09116	1.3
316.10233	0.9
327.16345	1.0
340.10223	1.1
346.22324	1.1
390.13644	3.3
408.12936	7.5
408.18082	1.1
408.24316	0.9
408.28699	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	407.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.29024	0.4
57.03424	4.9
57.07069	8.5
65.64317	0.4
67.05498	2.8
69.07049	1.9
69.86270	0.8
69.86678	1.8
71.08620	6.0
75.16088	0.3
78.78423	0.4
80.31693	0.4
81.07045	3.1
82.63116	0.3
83.08616	2.3
85.10187	2.4
89.06020	0.4
93.07043	0.4
95.08591	4.6
97.10152	0.7
98.21459	0.4
109.10146	2.1
112.99999	100.0
114.00311	0.6
123.11658	0.4
131.01038	1.0
139.01506	0.7
151.01591	0.4
154.02585	0.8
169.02589	97.1
170.02928	0.8
174.99907	0.4
235.09003	0.4
239.23553	0.9
378.05850	0.3
396.88647	0.3
407.35916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05497	11.5
57.07062	6.4
63.07758	6.6
67.05502	30.2
69.07069	38.3
71.38190	13.7
79.05476	11.4
79.95074	7.2
81.07050	59.4
83.08618	17.2
89.06040	8.4
91.05441	8.4
92.19374	6.9
92.29017	6.9
92.79576	6.2
93.07056	45.4
95.08588	81.1
97.10145	8.4
105.07034	34.2
107.08569	75.8
109.10145	46.7
113.00012	14.8
119.08582	44.2
121.10120	74.0
123.11679	20.7
131.08597	9.3
133.10120	47.1
135.11687	20.9
137.13254	12.4
145.10089	20.7
147.11668	34.8
149.13206	42.0
157.10068	8.4
159.11662	19.2
161.13257	12.2
163.14799	7.3
169.02637	13.6
173.13242	10.3
173.41701	6.3
175.14809	14.9
187.14816	20.5
189.16376	18.0
189.33380	5.8
191.17964	17.8
199.14716	9.6
201.16301	36.5
203.17949	23.4
217.19470	18.3
253.63757	6.6
322.68268	6.3
407.36700	100.0
408.36880	9.3
418.57034	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	407.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77527	0.3
54.16230	0.3
55.05499	1.4
57.03428	5.2
57.07069	6.9
59.60777	0.3
60.05931	0.3
67.05495	2.6
69.07061	1.3
69.45068	1.6
69.45501	2.0
71.08620	4.9
81.07050	2.6
83.08604	1.2
85.10178	2.1
95.08592	3.9
97.10173	0.7
109.10123	1.5
112.35915	0.4
112.99998	100.0
114.59592	0.4
123.11690	0.9
131.01031	1.2
139.01512	0.6
151.01587	0.4
169.02591	97.6
170.02856	0.8
184.97673	0.5
202.79666	0.4
239.23680	0.7
251.89148	0.4
278.59235	0.4
337.81134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.03428	5.1
57.07072	7.2
67.05492	2.6
69.07064	1.4
71.08618	5.0
78.13042	0.4
80.45592	0.4
81.07049	3.1
83.08622	2.2
85.10176	2.1
95.08611	4.1
97.10163	1.0
109.10159	2.5
113.00004	98.6
123.11694	0.9
131.01056	0.8
139.01544	0.7
147.29352	0.4
168.03165	0.4
169.02596	100.0
170.03036	0.7
239.23622	0.9
271.52704	0.4
329.51755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2187
Annotation	Zoamide D
Peak:m/z	Relative Intensity
57.07098	19.8
64.67908	17.4
67.05476	34.6
70.06606	28.9
70.42716	80.8
81.07034	34.7
91.05496	29.1
93.07040	33.3
107.08629	18.3
109.06447	23.3
139.63979	19.2
145.10106	23.3
157.88309	19.6
325.86691	20.3
389.22995	35.9
394.91690	22.5
407.21945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	100.0
67.05801	39.6
70.06588	46.7
78.35262	42.7
79.05479	66.2
81.07019	75.8
91.05461	75.9
93.07034	53.8
95.04945	80.6
95.08571	91.1
105.07019	59.0
109.10120	67.3
111.17445	41.7
121.10136	41.0
133.10049	58.2
148.27483	43.3
169.02609	41.8
175.93219	38.3
184.25357	45.6
229.38824	44.2
312.04950	43.7
315.23096	57.0
333.17075	58.1
361.17145	48.3
407.23550	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57967	0.4
67.05494	0.8
70.06577	1.1
70.75801	0.4
71.28278	0.8
73.27615	0.4
79.05479	0.5
80.83390	0.4
81.07014	1.0
81.38651	0.4
91.05453	0.6
95.04932	0.5
105.07005	0.5
116.10059	0.4
142.47234	0.4
238.44902	0.5
267.09073	0.5
321.04123	0.4
351.19998	0.9
366.79510	0.5
373.73007	0.5
402.52106	0.4
407.23981	100.0
407.35425	1.9
408.24411	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	407.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02366	2.3
69.03394	0.5
70.06580	4.1
71.70359	0.4
71.70750	0.5
72.08132	0.6
78.03442	24.0
80.05010	1.4
81.03409	0.5
81.07044	0.9
83.06075	2.8
84.04488	2.7
84.08126	1.4
85.02906	0.6
86.09702	4.6
91.05459	0.7
96.04482	8.4
106.02901	49.3
115.05439	0.4
119.06039	0.8
120.08076	6.6
124.03931	17.7
127.08630	0.7
130.04996	0.6
131.04964	0.4
132.10178	1.8
155.04878	2.2
159.04393	0.5
166.08624	1.7
167.07010	1.8
173.05936	0.6
176.61043	0.5
183.04427	1.5
184.35652	0.5
186.09108	1.2
188.03566	0.5
196.14381	0.8
197.12862	0.5
201.05447	1.6
211.03867	6.5
227.08104	0.5
229.04906	2.8
230.12834	1.5
231.11186	1.1
239.03456	1.0
241.09654	0.8
247.95999	0.5
248.13901	0.7
257.04416	25.4
258.12402	0.7
260.11456	0.5
265.09756	0.5
266.08084	0.6
267.02945	0.9
269.09161	1.3
271.02286	0.5
273.03906	1.0
275.04535	0.7
285.03891	53.2
293.08945	0.7
297.08636	1.1
306.81415	0.5
311.05774	0.5
311.10089	0.9
314.10257	0.6
315.09656	0.4
333.10721	0.8
334.06934	0.5
339.09756	1.2
343.12848	0.6
357.10791	0.6
362.06500	1.2
380.07642	3.1
389.13348	3.6
389.21664	1.8
397.02200	0.5
407.16714	100.0
408.07434	2.1
408.17117	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	407.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
60.27756	1.0
60.88260	0.9
66.98476	1.0
67.54855	1.0
69.07056	1.3
69.55824	3.1
69.56245	5.5
70.06582	16.4
72.08151	1.5
83.06081	1.1
84.04489	2.6
84.08118	5.3
85.02861	1.4
86.09698	8.2
105.03372	1.4
108.04466	1.4
119.04874	1.1
120.04443	4.7
120.08047	4.3
122.06007	1.3
124.90155	1.1
127.08639	1.5
129.10213	3.8
137.06021	1.2
138.05466	4.9
150.05492	1.6
152.07036	2.1
154.04950	3.0
167.07019	2.0
178.04947	9.6
184.07588	1.3
188.03442	10.9
192.06528	2.2
196.06038	8.1
199.08705	2.5
206.04419	4.1
211.08600	2.2
212.09000	1.2
213.10103	2.2
215.07811	1.1
222.07877	1.4
223.08517	6.2
224.09369	1.5
225.10263	2.9
227.08134	15.2
236.09419	1.3
237.10214	14.9
238.08624	2.0
238.10747	1.9
239.08040	2.1
239.11734	4.7
239.52296	1.2
240.06587	1.1
241.09689	14.5
243.11096	2.0
245.04259	1.1
245.09186	3.6
247.08530	1.2
250.08575	1.8
251.08101	15.7
252.06493	1.4
253.09702	2.5
255.07611	10.5
255.11264	3.3
257.04437	3.6
257.12677	1.5
259.11041	1.7
260.11530	1.2
265.09677	19.6
266.07944	2.2
266.10376	3.3
267.07840	1.4
267.11362	3.9
268.09570	3.0
269.09180	42.8
271.10938	1.4
273.04089	1.3
273.08664	11.4
275.04395	3.5
279.07623	21.3
280.08273	4.3
281.09195	1.6
283.10748	9.7
284.08884	5.2
285.03900	2.1
285.12344	3.1
286.10703	1.8
287.05414	2.4
287.10297	3.5
293.09155	29.4
295.10782	4.2
297.08658	55.6
298.09119	3.9
301.11816	1.7
302.10199	2.5
311.10223	15.6
312.08524	2.6
313.11838	5.9
314.10117	2.6
315.09735	25.4
316.10251	1.6
321.08603	14.1
325.11737	7.3
329.05374	1.3
329.11258	7.8
330.09622	2.9
332.10992	1.2
333.10739	21.0
334.11285	1.3
339.09708	37.0
340.10019	2.0
341.06067	1.3
343.12921	10.0
347.12045	1.3
357.10754	25.6
358.09366	1.7
371.07480	1.7
371.12332	19.0
372.12396	1.4
375.11807	5.6
389.13358	100.0
390.12820	4.9
390.18890	1.1
407.09369	1.6
407.14630	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	407.0967
Annotation	Lancerin
Peak:m/z	Relative Intensity
56.05031	1.6
57.03428	1.6
58.99569	3.2
60.14424	1.2
60.64574	1.2
70.05676	2.5
70.06094	4.8
74.56576	1.5
76.02213	8.2
79.05456	1.3
80.83733	1.2
81.07039	3.5
82.07386	2.9
84.04501	7.5
86.00681	1.9
86.99056	1.9
87.02686	2.8
95.08578	1.3
98.09702	2.5
98.21445	1.5
99.43437	1.3
99.50000	1.2
100.08401	1.4
100.51688	1.3
112.03960	1.4
113.04215	3.3
116.01652	5.2
130.05013	2.2
144.01126	2.9
156.08369	3.6
156.10196	3.1
157.06734	2.0
157.08855	1.7
157.10448	2.0
158.07112	1.4
162.02193	5.3
163.02525	3.3
166.50386	1.4
175.09825	2.0
202.06155	2.1
203.03389	9.2
213.05429	8.3
216.04112	2.3
225.05299	2.0
226.05957	1.7
227.07051	1.8
229.04916	14.7
230.05649	4.0
241.04912	17.3
242.05609	1.9
244.03645	5.2
245.04384	14.7
253.04918	5.3
254.05734	2.4
255.06548	10.6
257.04419	100.0
258.05206	25.0
259.05981	5.8
259.11145	9.9
260.11374	18.9
267.06451	1.8
269.04480	11.2
269.08090	6.9
271.05994	13.1
273.03882	7.6
273.06564	3.2
274.04153	6.3
275.04456	16.2
279.06461	6.8
281.04333	2.5
282.05231	6.1
283.05933	11.6
285.03979	2.5
287.05463	58.9
288.05771	2.5
295.05801	7.2
297.04147	3.1
297.07492	23.4
299.05408	4.9
301.06015	7.9
307.06046	3.1
311.05447	29.2
323.05417	8.1
325.06961	7.2
329.05481	8.2
335.05408	1.8
341.06454	30.9
353.06451	25.1
371.07529	42.2
372.07809	2.6
389.08597	63.0
390.08948	2.0
407.09662	56.6
408.10037	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	407.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.5
51.02349	0.4
53.00299	0.1
53.03939	3.8
54.04266	0.1
55.01862	0.4
55.05498	0.1
67.05503	0.1
68.99776	0.1
70.06201	0.1
70.06579	1.9
70.89634	0.2
72.08129	0.1
77.03906	1.3
77.04348	0.1
79.05485	0.1
79.63654	0.1
81.03403	0.8
81.07030	0.1
84.08151	0.4
91.05447	0.2
91.46336	0.0
95.04951	13.3
95.08597	0.1
96.05274	0.3
97.06503	0.1
98.03684	0.1
100.22875	0.0
105.03374	100.0
105.04496	2.9
106.02982	0.1
106.03702	2.3
107.01302	0.3
109.10126	0.1
117.06981	0.1
118.06545	0.3
119.08517	0.1
121.02895	0.1
123.04411	0.1
127.05450	0.1
127.08679	0.3
129.10229	0.2
136.07579	0.1
137.02312	0.1
137.05878	0.1
145.06474	0.2
146.29268	0.0
149.02315	0.1
153.01834	0.1
155.04884	2.4
155.08171	0.1
159.04364	0.1
164.73468	0.1
167.03346	0.1
167.07021	0.1
173.05957	0.5
181.04890	0.1
183.04373	1.8
184.04825	0.1
187.03871	0.1
189.11606	0.1
200.04671	0.1
201.05438	1.6
211.03874	4.4
212.04248	0.2
215.03413	0.1
228.04103	0.2
229.04922	3.2
230.05246	0.2
239.03363	0.5
240.38319	0.1
256.03638	0.7
257.04401	27.3
258.04749	1.5
263.01822	0.1
267.02802	1.0
268.03430	0.1
273.03802	0.3
273.73459	0.1
274.04184	0.1
275.04498	0.2
285.03882	49.4
286.04227	2.5
287.04343	0.3
287.07181	0.1
301.05963	0.1
311.05304	0.1
315.06519	0.1
329.05783	0.1
333.07193	0.1
360.37781	0.1
361.07098	0.4
379.07999	0.5
379.11954	0.1
389.06989	0.1
393.69373	0.1
407.07401	0.2
407.11862	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	407.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	11.5
58.99852	5.2
59.62525	1.9
69.26768	1.7
70.98061	2.2
70.99847	5.1
71.68847	2.5
73.01402	2.8
77.00893	5.5
82.99860	2.7
84.08129	1.9
84.96006	2.1
86.99340	2.3
89.00866	4.3
91.02429	10.8
92.28246	1.8
97.01386	1.7
98.21095	1.7
98.97575	12.7
101.00861	36.9
103.00594	2.2
103.02386	2.5
105.00350	5.5
109.03493	5.5
113.00848	7.6
115.02406	17.8
116.98600	5.3
117.03977	8.0
119.01900	79.7
120.01997	3.7
121.01622	5.8
125.36708	2.0
126.98756	16.5
127.02405	2.1
128.98598	3.5
129.03970	4.0
131.01878	33.4
133.03448	37.4
134.02562	2.1
134.03514	3.1
135.05005	6.8
137.02927	7.1
143.00107	2.4
143.01872	14.5
144.99803	94.3
145.03470	14.5
145.99950	5.5
146.99622	4.6
147.01384	5.9
147.05014	3.4
149.02937	32.3
150.03079	2.4
151.04468	4.4
155.01863	11.5
156.99739	2.7
157.03389	3.9
158.99594	2.2
159.00165	2.3
159.01360	17.7
159.04984	8.4
161.01508	2.8
161.02939	22.0
162.99365	2.3
163.00856	14.6
163.04477	8.9
167.03972	6.9
168.01405	2.8
168.99763	12.9
171.01372	8.5
171.04999	13.5
172.99289	33.0
173.02890	18.4
173.06552	2.7
173.99506	3.1
174.03072	2.4
174.99231	1.8
175.00882	6.7
175.04469	3.3
177.00725	6.6
177.02399	50.4
177.05983	3.3
178.02428	3.0
179.03987	2.3
185.02907	4.1
186.99168	4.2
187.00815	33.5
187.04431	2.1
188.00938	2.3
189.02472	13.9
189.06107	7.8
190.98775	3.1
191.00340	18.9
191.02135	4.8
191.03905	9.6
193.01924	2.5
194.97704	2.3
195.03516	9.5
196.99295	6.1
199.00882	6.4
201.02431	8.1
201.06003	4.0
203.02362	2.4
203.03932	9.2
205.00154	3.3
205.01918	48.9
206.02132	3.1
207.03482	6.9
208.99603	2.2
212.98746	17.7
213.05989	3.8
215.00299	18.0
217.01964	9.5
219.01799	6.3
219.03503	6.3
221.05016	21.5
223.01164	3.2
223.03000	20.8
227.00327	21.1
228.00575	2.3
229.01923	8.3
230.99861	14.3
231.03380	11.6
232.99748	3.2
233.03331	2.3
237.02614	4.3
239.00482	2.1
240.98277	6.1
242.99828	8.0
245.01440	24.8
246.01810	3.1
247.03036	20.0
249.04482	4.2
251.00386	2.3
254.99814	30.1
255.99930	2.9
257.01413	6.5
257.04315	2.3
258.99457	3.2
259.02945	9.6
261.04681	2.7
261.08185	16.9
265.04092	3.5
269.01443	2.8
271.03152	2.7
273.00861	44.2
275.02350	5.1
277.03961	5.6
279.06436	3.1
279.09286	30.6
282.99298	8.2
285.00815	5.1
287.02487	24.6
288.02893	2.5
301.00381	38.1
302.00583	3.5
303.01871	8.7
305.03543	26.4
306.03687	2.8
307.08704	8.7
315.01923	71.7
316.02048	7.3
317.03372	6.9
319.01364	9.3
319.05121	8.3
333.02979	100.0
334.03168	8.5
335.04593	3.8
343.01364	3.4
347.04495	3.6
347.08182	15.7
356.04575	7.3
360.73911	2.3
375.03943	11.2
407.05826	4.0
407.10675	2.9
407.61105	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	406.2483
Annotation	Celacinnine
Peak:m/z	Relative Intensity
51.02357	0.4
66.72697	0.2
70.06579	2.6
70.22003	1.1
72.08144	2.3
81.07027	0.2
84.08125	1.8
92.12530	0.2
95.04942	0.6
103.05446	16.9
104.05778	0.4
112.11211	2.7
115.05398	0.3
127.08624	0.3
127.67018	0.2
129.13853	0.8
129.44893	0.3
130.06462	0.3
131.04898	100.0
132.05229	2.0
150.61749	0.2
187.12289	2.5
188.10666	60.6
189.11009	1.8
202.10342	0.3
202.12218	5.5
210.59399	0.2
219.14986	0.4
258.19742	1.3
259.18008	0.9
265.97629	0.2
273.03876	0.3
274.04196	0.5
276.20694	0.4
328.05209	0.2
388.23843	0.7
389.22098	2.2
397.47513	0.3
398.08832	0.2
406.24826	56.3
407.25146	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	406.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05513	0.4
56.96547	0.6
58.06594	2.7
69.03408	0.9
69.88726	2.0
70.06575	2.5
71.08251	0.4
71.08618	7.7
72.08141	15.7
73.08459	0.4
76.02209	0.5
78.03436	0.8
79.05469	1.1
81.03391	1.7
81.07032	1.1
84.04486	0.4
84.08127	3.0
84.55593	0.3
85.02877	0.8
85.06552	0.3
86.00653	0.3
86.09669	0.6
88.07591	0.3
88.11337	0.3
89.03899	3.8
91.05454	1.2
95.08569	0.4
97.02866	0.8
98.09666	0.5
98.21436	0.4
98.97568	0.4
99.08076	14.0
100.08363	0.3
102.05545	0.3
106.02895	2.4
107.04963	2.2
107.08551	0.5
109.02849	0.8
109.28004	0.3
112.11219	3.8
117.03347	5.9
118.03648	0.3
119.05010	0.3
119.08553	0.4
120.08080	0.6
123.04407	0.3
124.03920	3.7
127.03903	0.5
128.10696	1.8
129.10176	0.4
129.13809	0.3
130.04962	0.3
131.04904	0.5
135.04391	14.5
136.04723	0.4
137.05963	1.6
138.06274	0.7
142.22855	0.3
143.00044	0.4
145.01677	0.7
145.02826	11.4
146.03206	0.4
147.04393	0.5
151.11217	0.7
155.11761	0.9
155.15393	1.2
156.13809	71.7
157.14139	2.1
162.05463	0.4
162.06790	0.4
163.03873	71.8
164.04216	3.0
164.06995	0.4
167.07016	1.2
168.07347	0.5
170.15379	5.1
173.16460	1.7
175.03906	0.3
176.10670	0.4
181.04916	0.7
182.05199	0.4
187.18013	0.4
192.10252	0.4
195.06487	0.4
200.16356	0.7
206.04753	0.5
207.13721	0.4
213.07771	0.6
220.09654	15.7
220.47803	0.3
221.09959	0.6
222.08273	1.0
225.14873	0.4
226.05777	0.5
226.22772	0.4
227.21146	7.5
234.08603	0.5
234.11215	4.3
244.12244	0.5
244.23814	11.6
245.24222	0.5
250.07114	1.4
254.10046	0.6
257.04388	0.4
259.11057	1.4
262.04288	0.3
266.08325	0.3
268.08105	1.3
270.21814	0.6
272.06302	0.6
273.03958	1.8
274.04172	3.3
275.04532	0.4
281.10782	0.7
282.09839	0.3
285.03708	0.4
286.04214	1.1
299.05438	0.5
299.11407	0.3
300.05771	1.1
301.54883	0.3
305.10449	0.6
308.19510	0.4
310.08823	0.7
323.11664	0.4
325.14929	2.2
325.64920	0.9
327.04993	0.4
328.05258	2.1
328.09702	0.7
340.05231	0.9
346.11087	0.8
352.05338	0.5
356.09512	0.7
358.06253	0.5
370.06348	0.4
375.11844	0.3
388.07385	0.7
388.14566	0.8
388.25760	1.2
389.13440	0.4
389.24329	1.1
406.26910	100.0
406.67563	0.4
407.27203	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50145	1.5
55.05499	2.9
56.96538	1.6
57.03418	4.2
58.06588	3.2
58.99559	1.8
63.02532	1.5
67.05492	2.7
69.03413	4.4
69.07040	3.7
70.06581	8.5
70.12928	8.1
71.04981	2.4
71.08623	8.9
72.08144	18.4
76.02203	1.5
79.05486	3.1
81.07044	7.3
81.53885	1.5
83.04955	4.4
83.08611	2.1
84.04441	1.5
84.08088	3.2
85.02895	4.8
89.03880	1.9
91.05466	2.6
93.07010	4.3
95.08587	5.8
97.02847	2.0
99.08076	13.8
100.07600	4.1
107.04964	2.4
107.08572	17.7
109.02834	1.5
109.06496	2.4
109.10143	13.9
112.11213	7.3
117.03338	3.2
119.08537	2.8
120.71805	1.6
121.02847	9.9
121.06505	1.6
121.10141	13.7
123.08041	3.2
123.11691	1.8
125.09613	3.4
128.05283	1.6
128.10706	2.5
131.08530	2.1
133.01741	1.3
133.10081	4.7
135.04396	10.1
135.08043	4.0
135.11626	2.0
137.05968	4.5
137.09604	9.6
139.11188	1.8
143.10600	2.0
145.02783	7.4
147.11635	2.7
149.09634	1.9
149.13223	11.7
151.11163	19.5
153.09067	2.2
153.12688	1.8
155.11841	1.9
156.13826	72.1
156.15120	3.5
157.14267	1.8
159.30714	1.4
163.03880	59.3
163.14790	11.3
164.04147	1.9
167.07033	4.0
169.12250	7.0
170.15370	8.7
173.06017	1.3
173.13234	12.2
173.16487	2.3
181.04961	2.0
189.59988	1.7
191.14272	39.6
195.93144	1.5
199.10953	1.3
205.01193	2.0
209.15353	20.8
210.43047	1.6
220.09645	25.9
227.16389	100.0
227.21124	11.3
228.16753	3.9
234.11229	3.3
244.23831	44.3
259.11096	4.7
273.04010	2.8
274.04306	6.1
286.04041	2.0
300.05804	1.9
328.05188	3.6
370.06094	1.8
371.50174	1.9
406.26953	91.7
407.27432	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.2
55.05503	1.7
56.32093	0.9
57.03423	3.7
59.04989	1.7
61.02905	1.1
66.71970	0.8
67.05490	3.2
69.03416	9.3
69.07050	3.3
70.06580	3.2
71.04973	3.5
71.25433	1.7
74.23112	1.0
79.05480	3.6
81.03403	1.7
81.07058	6.3
83.04977	2.4
83.08620	2.2
84.04496	1.0
85.02888	13.8
85.06549	1.2
89.06020	3.1
91.05451	1.9
93.07016	5.9
95.04924	1.4
95.08599	6.6
97.02868	3.1
97.06522	3.2
99.04445	1.2
103.05403	1.0
105.07019	10.0
107.08584	13.1
109.02853	2.3
109.06535	1.9
109.10144	13.1
111.08088	2.9
119.08581	6.0
121.06525	1.2
121.10128	100.0
122.10460	2.5
122.35314	0.9
123.08036	3.3
123.11696	5.1
125.09608	1.8
127.03896	1.7
128.60725	0.9
131.08565	3.7
133.10121	8.5
135.07990	2.5
135.11650	4.2
137.09612	5.6
139.11153	5.0
145.05008	1.1
145.06482	1.0
145.10114	2.5
147.11670	8.4
149.09673	0.9
149.13249	6.4
151.11195	6.5
157.81882	1.1
158.10855	2.2
163.14813	6.6
165.12738	1.5
167.06992	2.3
168.07343	1.7
169.12297	4.8
173.13254	17.2
191.14294	35.4
192.14554	1.5
209.15331	18.0
227.16393	76.5
228.16748	3.1
256.33264	0.9
257.04449	4.4
259.10959	2.6
271.06039	1.5
273.03934	7.0
274.04245	6.6
279.45737	0.9
285.03885	2.1
286.04230	1.3
287.05200	1.1
299.05481	4.0
300.05710	2.2
303.04980	7.5
311.05405	1.9
315.31015	0.9
315.36609	1.0
325.06870	1.6
327.05106	2.9
328.05292	2.3
340.05185	1.2
353.06534	4.4
370.06461	1.2
371.07712	5.3
389.13272	1.6
406.08817	1.3
406.26715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.3
55.05496	2.8
56.05024	6.1
57.03417	6.4
58.99297	1.1
58.99576	14.8
61.01130	1.8
68.05011	2.2
69.07047	1.6
69.66428	7.4
70.02946	1.1
73.01122	2.5
74.00645	2.0
76.02211	23.2
76.03983	2.5
79.05476	3.7
80.05001	1.2
81.07040	21.7
83.06090	3.1
84.04486	30.7
84.08138	1.1
85.01110	5.1
86.00626	7.6
86.99026	8.7
87.02663	7.0
88.02174	2.3
93.07004	0.9
95.08598	3.5
96.08153	1.4
97.01109	2.0
97.06506	2.9
98.09670	13.6
99.08084	4.1
102.05525	5.7
105.00069	1.3
105.07031	1.6
110.09657	2.6
112.03930	4.6
113.04196	7.5
114.03744	1.6
114.05522	1.0
115.05745	1.7
116.01656	29.8
117.91279	0.8
122.09624	2.3
123.08012	0.9
127.05773	1.3
129.06563	3.6
130.04980	7.7
130.06870	6.1
130.08636	1.7
139.05753	2.2
142.03206	4.4
142.04953	1.0
143.02751	1.2
144.01089	8.2
145.05998	1.9
156.08408	23.7
156.10176	11.9
157.06781	9.9
159.36546	1.0
162.02164	25.9
170.02660	1.5
172.04140	1.0
174.09459	15.6
179.04843	9.2
187.05196	0.9
188.03818	1.2
189.03307	1.3
200.17403	0.9
210.11229	3.3
216.06882	6.8
226.05864	1.2
233.05884	2.8
242.08434	1.6
257.04446	2.1
259.11066	100.0
260.09155	1.3
260.11496	2.4
272.06516	1.6
273.03854	4.2
274.04236	9.6
285.12509	1.9
300.05878	4.3
308.09048	2.1
313.12158	3.5
328.05292	4.3
331.13150	5.5
340.05188	2.3
352.05206	1.6
358.06024	1.0
370.06250	2.1
388.07535	1.5
388.15088	1.4
406.16403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03302	0.7
55.01860	5.9
55.05501	10.0
57.03421	6.3
57.07060	4.8
60.85507	0.6
67.05488	5.9
69.07052	12.0
69.91357	3.9
71.08613	1.7
78.10874	0.6
79.05473	3.1
81.07040	5.3
83.08601	11.3
83.65996	0.6
93.07028	3.8
93.66777	0.7
94.99009	0.6
95.08576	4.4
97.06527	1.4
97.10145	6.8
98.21397	0.9
107.08566	2.6
109.10116	2.2
111.08043	0.9
111.11691	2.0
111.60053	0.6
112.99993	100.0
118.99502	0.6
121.10140	5.9
123.11684	1.4
131.01004	1.1
135.11655	3.1
149.13213	1.6
149.17250	0.5
151.89522	0.6
163.14771	1.0
169.02580	97.0
170.02863	1.5
219.21028	1.7
237.22098	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99766	1.3
55.01863	3.5
55.05523	2.1
56.05031	10.2
57.03432	8.8
58.99572	15.9
68.05022	2.3
69.07067	1.7
71.14498	1.6
71.14829	2.8
73.01129	2.3
74.00665	2.2
76.02220	32.6
76.03994	2.9
79.05457	6.3
80.05003	1.5
81.07046	26.0
82.94254	1.3
83.06120	2.7
84.04493	40.4
84.08160	1.7
85.01111	3.8
86.00640	4.8
86.99048	10.2
87.02682	10.3
88.02177	1.5
95.08600	3.6
96.08090	1.2
97.06521	2.3
98.09686	18.6
99.08090	8.7
102.05550	8.2
105.07021	1.7
110.09680	3.7
112.03948	5.5
113.04218	10.7
114.03687	1.7
115.05805	1.9
116.01664	39.5
116.02441	2.5
122.09652	2.3
123.08048	2.0
127.05782	2.9
129.06592	4.7
130.05000	15.0
130.06850	6.1
130.08646	2.4
132.43298	1.1
139.05757	3.0
142.03220	4.0
144.01138	13.3
145.05960	1.4
156.08415	27.1
156.10208	14.5
156.13768	2.5
157.06816	13.3
162.02180	37.6
170.02722	1.9
174.09462	14.3
178.37585	1.1
178.95514	1.2
179.04868	10.7
187.05415	2.3
188.03641	1.6
189.03246	2.0
210.11220	2.4
215.04813	1.8
216.06871	9.1
223.01538	1.2
226.05826	1.3
233.05849	1.9
257.04449	4.1
259.11087	100.0
260.11591	1.8
263.02335	1.3
271.06122	1.1
272.06244	1.8
273.03909	7.6
274.04276	17.6
285.12717	1.5
286.04230	1.5
287.05188	2.8
299.05408	1.6
300.05740	7.7
313.12125	2.9
314.07257	2.7
324.05951	2.8
328.05383	8.1
331.13275	5.7
340.05258	3.1
352.05444	2.5
353.06393	1.4
358.06137	1.8
370.06363	3.7
371.07639	2.0
388.07440	2.3
389.08664	1.6
406.16385	2.2
407.09549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01851	1.8
57.03413	1.3
57.46142	0.5
65.03940	2.5
67.05483	1.1
69.03400	1.8
69.46848	3.4
69.47272	1.5
70.06572	1.9
72.08135	1.0
73.02906	0.4
76.02216	0.7
78.05592	0.4
79.05480	2.9
81.03397	2.3
81.07036	1.4
82.04173	0.7
84.04480	1.0
84.08120	1.0
85.02887	3.3
86.09661	1.3
91.05463	1.9
93.06984	0.7
94.04165	1.3
95.04935	1.8
95.08553	0.6
97.02877	1.0
97.06494	0.8
99.08030	0.8
103.03947	0.6
103.05439	1.4
105.07011	1.3
107.01283	0.7
107.04939	8.1
108.02071	0.7
109.02866	1.3
109.06459	0.8
110.03654	0.9
110.07172	0.6
111.04443	0.5
115.05432	2.3
116.01676	0.5
117.06989	2.1
119.04962	0.8
120.08141	0.5
121.02808	1.0
122.03615	2.1
123.04382	0.9
124.05136	1.1
125.05967	2.1
127.03893	0.5
128.06174	1.1
129.06998	2.4
131.04906	1.5
132.05627	0.4
133.06462	1.5
135.04385	0.7
136.53931	0.4
137.02275	0.5
137.05957	27.0
138.03053	1.2
138.06271	0.6
142.02557	0.9
143.04893	2.1
144.05655	1.1
145.06459	5.4
147.04326	0.7
149.05917	0.7
149.09526	0.7
150.09891	0.6
151.03896	6.7
153.01814	2.0
153.05446	0.9
155.04868	0.8
155.06033	0.9
157.06464	3.5
159.04309	0.7
160.05182	0.7
161.05972	4.4
162.02045	0.5
163.03761	0.8
165.05383	0.6
166.02571	0.9
167.07022	20.0
168.07370	0.7
171.04356	3.4
171.06561	0.8
172.05202	1.9
173.05956	3.1
174.06638	1.0
175.04271	0.5
175.07535	1.9
177.05487	0.8
181.04932	31.5
182.05319	1.4
183.04338	0.6
185.05911	0.7
187.03896	1.3
187.07478	1.7
188.04738	0.7
189.05403	3.8
189.09047	0.9
190.06201	1.4
190.13187	0.5
191.06967	1.6
191.08582	0.5
195.06497	1.4
197.05914	1.2
200.04655	0.8
201.05412	2.4
202.06012	0.6
203.06995	5.3
205.08511	3.6
206.05649	0.9
207.13857	0.6
208.14180	0.7
211.03902	2.6
213.05475	1.5
215.03340	1.2
217.04916	0.7
218.05708	4.2
219.02815	1.6
219.06325	1.1
219.10028	0.6
221.05965	1.9
221.08086	4.1
225.05357	5.1
226.05949	0.6
227.03270	0.6
227.06990	0.7
229.04922	1.6
231.02861	0.6
233.05751	1.2
233.08052	23.4
234.08493	0.8
235.07605	0.6
235.09676	2.1
237.05405	0.6
239.03383	0.7
239.07106	0.6
241.04874	1.0
243.02826	0.7
243.06439	0.9
245.04379	4.2
245.08202	0.6
247.07260	0.6
249.09152	1.0
251.09122	4.7
253.04918	3.1
253.09605	0.8
255.06470	2.1
256.03552	0.6
257.04401	4.6
258.04950	0.5
259.11145	1.2
260.03104	0.9
261.03888	5.0
263.01797	2.6
263.06714	0.6
263.09192	2.9
265.04767	0.5
265.08667	0.9
267.02881	2.0
267.06686	1.3
269.04416	1.4
271.05988	10.4
271.10577	0.8
272.06396	1.0
273.03894	100.0
274.04211	6.6
276.07846	0.6
277.04950	1.3
277.08524	1.7
278.05310	0.5
279.06448	1.0
281.04425	3.1
282.08936	0.7
283.05890	1.1
285.03915	22.5
285.07214	1.5
286.04300	1.7
287.01804	2.0
287.05466	2.7
289.03409	2.5
291.10056	0.7
293.07944	1.1
295.06015	3.5
295.09457	0.9
296.06430	0.9
297.03882	7.8
297.11090	0.7
298.04532	1.9
299.01871	2.1
299.05438	26.9
299.10150	1.3
300.05798	2.7
301.03693	0.8
301.07007	7.9
302.07339	0.7
303.04977	2.2
305.04416	0.5
307.05722	0.6
307.09613	0.9
309.07999	0.7
309.11243	1.1
310.04535	0.8
311.05508	2.9
313.03586	0.7
313.07025	4.7
314.07724	0.6
315.04935	1.3
315.08698	1.2
316.09314	5.1
317.10245	0.7
323.05493	3.4
325.03275	1.0
325.10495	0.6
327.04959	31.1
327.08966	1.2
328.05121	2.6
329.10901	0.9
337.10687	1.1
339.04944	15.0
339.12061	0.8
340.05139	0.6
341.06439	2.1
341.10065	0.8
341.13828	1.1
342.10934	0.9
345.10837	1.4
351.04941	8.6
351.11749	0.8
352.05258	0.6
355.08981	2.6
357.06042	7.5
357.13135	2.8
358.06149	0.9
369.05997	15.2
369.13126	0.9
370.06287	1.7
373.10214	1.8
375.14313	3.7
387.07013	11.8
387.14307	25.5
388.07486	1.2
388.14639	1.5
405.08063	11.3
405.15805	2.5
406.08521	1.3
406.26801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86831	1.6
53.03929	3.6
55.01859	3.6
55.05497	1.3
61.02903	1.5
65.03925	7.3
67.05479	4.5
69.03401	3.1
69.07058	2.6
70.06569	4.0
70.29755	7.4
71.41998	1.2
72.08143	2.4
79.05485	12.2
81.03397	5.6
81.07021	6.7
82.04188	3.2
84.04484	2.8
84.08122	2.6
85.02891	5.1
91.05465	8.9
93.03415	1.9
94.04150	3.3
95.04939	5.5
95.08596	2.6
96.21965	1.4
97.02869	3.0
97.06548	3.3
98.36188	1.4
103.05437	5.1
105.03324	1.8
105.07011	3.5
106.04176	1.8
107.04929	25.7
108.02018	1.3
109.02859	3.2
109.06474	3.4
109.10161	2.2
110.03681	3.7
110.07105	2.3
111.04422	3.1
111.31981	1.3
115.05408	9.2
117.06980	5.7
119.04919	4.0
119.08554	1.9
121.06443	2.0
122.03635	8.4
123.04404	5.3
123.11710	1.6
124.05181	5.4
125.05956	5.1
128.06181	2.0
129.06952	9.3
131.04846	8.0
131.08577	1.6
133.02901	1.5
133.06451	6.3
133.25337	1.3
135.04427	1.6
137.02254	1.7
137.05952	80.6
138.03069	2.5
138.06274	1.7
141.06982	1.8
142.02596	2.4
143.04900	5.1
144.05675	3.7
145.06439	15.7
147.04367	4.6
147.07953	2.8
149.05925	4.2
151.03888	25.3
151.07535	3.6
152.04652	2.9
153.05383	2.3
155.04871	2.4
155.05965	1.8
157.06468	15.2
159.04428	1.8
160.05173	2.6
161.05956	12.9
163.07512	4.9
165.05473	3.4
166.02647	1.9
167.07007	84.9
168.07379	3.0
171.04343	7.2
171.06540	2.7
172.05165	10.3
173.05949	8.9
175.07506	9.3
176.04549	2.0
177.05396	3.5
177.09084	2.2
179.07028	3.3
181.04924	100.0
182.05330	4.9
187.07430	3.6
189.05476	11.7
189.09114	5.1
190.06181	6.0
191.06906	4.3
191.08548	2.3
193.06656	1.4
193.08543	4.3
195.06471	3.5
200.04683	3.1
201.05444	4.2
203.06987	16.8
205.08551	13.1
206.05725	5.1
209.08066	2.7
211.03833	5.7
213.05428	2.9
217.08604	3.6
218.05679	9.9
219.06319	3.2
219.10085	2.3
221.06017	3.1
221.07933	14.2
225.05423	3.8
229.04900	3.3
233.08041	82.9
234.08374	4.1
235.09610	5.7
238.91939	1.5
241.04932	1.6
245.04393	3.0
245.08041	3.6
247.07574	3.1
249.08980	4.0
251.06950	1.9
251.09091	11.9
253.04765	2.1
255.06454	6.4
257.04376	4.5
258.05148	2.5
259.11151	2.2
261.03821	6.3
263.09055	8.3
265.08582	3.7
271.05933	12.4
272.06427	2.0
273.03900	87.4
274.04187	8.3
277.08545	4.8
279.06418	2.4
279.09927	2.0
281.04556	3.5
283.05954	2.4
283.09671	1.9
285.03867	25.5
285.06989	3.0
286.04315	3.4
287.05417	2.6
293.08029	4.7
295.06036	4.5
295.09299	1.8
297.03799	6.6
297.11130	3.4
299.02182	2.1
299.05420	25.5
299.08731	1.8
300.05792	2.2
301.06970	24.5
307.09573	2.5
309.11151	4.8
311.05472	2.5
313.06940	5.0
315.08521	4.4
316.09409	18.9
323.05429	2.9
325.10623	2.2
327.04919	38.4
328.05200	4.5
337.10516	2.8
339.05011	12.5
339.12198	2.9
341.06082	1.7
341.13757	2.8
342.10864	1.9
351.01160	2.0
351.04825	10.0
351.12033	2.7
357.06079	9.3
357.13132	9.4
369.06000	14.6
369.13245	6.2
370.06268	2.5
375.14374	15.5
386.50821	1.5
387.07095	10.7
387.14310	90.6
388.07401	1.7
388.14700	5.0
405.08179	9.1
405.15353	13.6
428.64343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
54.86795	1.2
55.01866	3.0
55.05510	1.8
57.03415	2.0
57.07064	1.5
65.03931	6.6
67.05499	5.0
69.03406	2.1
70.06575	3.6
71.70150	2.5
75.33798	1.2
77.03941	1.5
78.04683	1.4
79.05490	12.0
81.03393	6.5
81.07044	5.4
84.04504	2.3
84.08134	2.1
85.02898	8.3
86.09699	1.8
91.05462	11.9
93.03403	2.1
93.07030	2.0
94.04185	2.9
95.04949	7.3
95.08586	3.3
97.02872	2.6
97.06507	3.8
103.05446	6.1
105.07031	6.9
106.04124	1.3
107.04942	26.0
108.02074	2.6
109.02837	2.7
109.06523	2.3
110.03628	2.6
111.04449	3.0
112.32567	1.3
115.05408	7.1
117.07019	10.3
119.04897	2.0
119.08607	2.5
121.02846	2.2
121.06496	3.0
122.03635	7.4
123.04427	5.5
124.05214	5.9
125.05083	1.4
125.05987	6.4
129.06984	8.4
131.04919	7.6
133.02840	2.1
133.06479	6.8
135.04460	1.5
137.05957	80.2
138.03072	2.1
139.03903	1.6
143.04929	7.0
144.05698	3.6
145.06473	19.4
147.04356	5.5
148.08408	1.7
149.06021	2.4
151.03891	27.0
151.05014	2.7
151.07536	3.4
152.04623	2.7
153.01837	1.8
153.05472	2.7
155.06035	2.4
157.06479	11.6
159.04442	1.5
160.05203	2.4
161.05991	15.7
163.03929	2.0
163.07536	6.7
165.05504	1.9
166.02609	2.4
167.07018	100.0
168.07379	3.3
171.04340	7.1
171.06554	5.4
172.05171	9.7
173.05940	9.1
174.06747	1.8
175.07478	7.7
176.06946	1.5
177.05493	3.5
177.09117	2.7
178.07788	1.4
179.06999	3.1
181.04938	99.2
182.05293	2.0
185.05905	2.4
187.04028	1.4
187.07533	4.6
189.05479	12.2
189.09068	4.3
190.06265	4.9
191.06970	4.2
193.04895	1.8
193.08594	7.8
195.06505	3.6
200.04703	5.4
201.05449	4.6
203.06987	19.1
203.08652	1.9
205.06827	2.7
205.08513	11.3
206.05753	4.9
207.09874	1.7
209.08022	3.0
211.03979	3.0
218.05727	12.5
219.02771	1.9
219.06284	2.6
219.08183	3.2
219.10017	1.4
221.06093	3.3
221.07979	14.1
223.07584	1.8
225.05489	4.2
229.05008	2.4
231.06242	1.6
233.08061	76.5
234.06619	1.9
234.08665	2.2
235.07526	2.7
235.09674	5.6
239.07068	1.9
243.06650	1.9
245.04364	3.1
245.08000	2.1
247.07483	2.1
249.09109	5.4
250.06085	1.6
251.09087	10.7
253.04861	3.1
254.05702	2.1
255.06496	5.6
257.04495	5.0
258.05234	2.7
261.03918	5.2
263.01791	2.2
263.09103	11.0
265.08563	2.4
267.02640	1.9
271.06039	13.0
273.03906	79.8
274.04245	5.9
277.04938	1.9
277.08612	2.6
281.04364	2.7
282.05264	1.8
285.03925	23.8
285.07281	2.0
286.04544	3.3
287.02048	2.2
287.05402	2.3
293.07990	2.7
295.06033	3.8
295.09534	1.6
297.04068	3.9
297.11249	3.6
298.04572	1.6
299.02094	1.3
299.05435	27.4
299.08881	2.3
300.05988	2.3
300.09879	1.3
301.07025	24.1
309.11191	2.3
311.05499	2.8
311.08960	2.0
313.07053	4.9
315.08667	3.7
316.09369	18.5
321.07681	1.7
323.05331	2.4
323.12848	1.5
325.10611	2.0
327.04965	32.8
327.08359	2.0
327.56821	1.5
328.05301	2.3
329.10068	1.9
337.10577	4.4
339.05002	11.5
339.12238	2.4
341.06564	1.7
341.13751	3.0
343.11591	2.0
351.05179	9.5
351.12112	2.4
354.11032	1.8
357.06113	7.2
357.13229	6.9
369.06085	12.2
369.13232	5.4
375.14285	10.1
387.07089	10.4
387.14346	77.7
388.14761	4.7
405.08331	5.6
405.15469	9.3
405.19791	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	405.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.3
55.01865	1.1
57.03428	0.7
57.13433	0.1
57.27686	0.1
61.02917	0.7
62.71350	0.1
65.03912	0.2
67.05453	0.2
68.11407	0.1
69.03381	0.6
70.06533	0.5
71.01319	0.2
71.45366	0.3
72.08118	0.2
73.02886	0.2
75.65244	0.1
76.02177	0.2
78.04672	0.3
79.05479	0.9
81.03394	1.1
81.07008	0.3
84.04460	0.3
84.08105	0.3
85.02897	2.5
86.09692	0.4
91.05434	0.4
92.75814	0.1
92.99751	0.2
95.04920	0.2
97.02885	0.9
99.08039	0.1
102.05537	0.1
103.03886	0.5
103.05462	0.8
105.03380	0.2
105.07036	0.7
105.96320	0.2
106.04174	0.2
107.01308	1.1
107.04969	0.9
109.02857	1.4
109.06482	0.1
115.05405	0.5
117.03293	0.1
117.06949	0.2
119.04903	0.3
120.08123	0.2
121.02893	0.7
121.06483	0.3
123.04405	1.0
124.05140	0.6
127.03878	0.2
129.06978	0.2
129.28352	0.1
131.04930	0.8
131.08524	0.3
133.06448	0.8
135.07977	0.2
137.05951	1.5
141.06906	0.3
143.04929	0.2
145.06380	0.4
147.04364	0.5
149.05904	0.3
151.03854	0.5
151.07469	0.4
152.04625	0.3
153.00635	0.2
153.01785	2.5
153.05388	0.2
153.06909	0.1
159.07979	0.3
161.05954	1.0
163.03853	0.2
163.07535	1.5
165.05405	0.2
165.06876	0.3
167.07016	11.7
167.97581	0.1
169.02803	0.7
169.06429	0.2
171.04340	1.2
175.07468	0.3
177.09131	0.2
181.04974	0.9
181.06345	0.2
181.08513	0.6
183.04379	0.2
187.03841	0.5
187.07433	0.3
189.05411	0.3
191.03349	0.3
193.06509	0.4
193.08545	2.0
195.04364	0.2
197.05960	1.8
199.03915	0.2
201.05400	0.3
203.03340	0.2
205.06442	0.2
205.08568	0.2
207.10136	0.2
209.05937	0.4
211.03902	1.1
213.05426	0.3
215.03360	1.0
215.06894	0.2
217.04958	0.7
217.08383	0.2
219.02917	1.7
219.10133	0.3
221.05963	1.7
221.07928	0.3
223.02217	0.2
225.05402	6.1
226.05742	0.4
227.03352	0.7
228.04088	0.2
229.04955	0.9
231.02803	0.4
233.08015	0.6
237.05510	1.1
239.03355	0.9
239.07024	0.5
241.04901	0.5
242.05656	0.2
243.02866	0.7
243.06482	1.2
244.03531	0.3
245.04416	3.1
246.04768	0.2
249.05568	0.7
251.03369	0.2
252.04025	0.2
253.04904	4.2
254.05386	0.2
255.02731	0.3
255.06668	0.3
256.03479	0.2
257.04395	4.6
258.04813	0.4
259.11078	0.3
260.03116	1.8
261.03876	5.4
262.04184	0.2
263.01819	2.4
265.04993	0.9
267.02972	1.2
267.06335	1.0
269.04416	1.3
270.05127	0.3
271.02539	1.0
271.05957	12.7
272.06354	0.7
273.03885	100.0
274.04218	5.1
277.04993	1.2
279.06302	0.2
281.04407	4.5
282.04855	0.4
283.06009	1.0
284.03021	0.7
285.03937	8.9
285.07452	1.4
286.04248	0.4
286.07526	0.2
287.01828	1.2
287.05444	1.6
293.04352	0.6
294.05020	0.2
295.05969	4.1
296.06403	0.4
297.03885	4.7
297.07263	0.3
298.04565	1.2
299.01865	3.1
299.05411	32.6
300.05743	1.7
301.03598	0.7
303.04922	1.5
305.04379	0.5
310.04688	0.8
311.05438	3.2
313.03558	0.4
313.06982	7.0
314.07117	0.3
315.04779	0.4
321.03873	0.4
323.05441	4.8
323.12750	0.2
324.05893	0.3
325.03391	1.1
327.04935	42.1
328.05228	2.3
333.04001	0.3
339.04944	14.9
340.05200	1.0
341.06488	2.0
342.06934	0.2
345.06104	0.2
345.10678	0.4
351.04938	11.8
352.05377	0.7
355.09085	0.2
355.15286	0.3
357.05978	10.2
358.06387	0.5
369.05994	16.2
370.06314	0.9
373.10446	0.2
387.07043	14.9
387.14661	0.4
388.07281	0.8
405.08090	7.3
405.13571	0.3
406.08426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01859	0.9
57.03428	1.1
61.02928	1.1
68.39082	0.2
69.03397	0.5
70.05109	0.7
70.05529	0.3
70.06554	0.6
70.15443	0.2
71.01308	0.2
72.84834	0.2
73.02886	0.3
75.40869	0.2
81.03397	1.1
84.04469	0.2
84.08121	0.3
85.02882	2.5
86.09666	0.3
91.05450	0.4
93.69350	0.2
95.04931	0.2
96.16345	0.2
97.02859	0.7
98.20616	0.2
103.03937	1.1
107.01297	1.3
107.04926	0.2
109.02875	1.1
110.07103	0.3
115.05455	0.2
117.91964	0.2
121.02782	0.6
121.06461	0.2
124.03922	0.3
127.03857	0.2
129.93971	0.2
137.05948	1.0
149.05905	0.4
151.03824	0.2
153.01790	2.6
155.04793	0.4
161.05984	0.2
163.03873	0.3
165.01720	0.2
167.06976	0.8
169.02814	0.8
169.06415	0.2
171.04373	1.6
173.05916	0.2
177.05525	0.3
181.04889	0.4
181.08505	0.2
183.04393	0.3
187.03923	0.6
189.05376	0.4
189.08961	0.2
191.03221	0.2
193.06464	0.4
197.05980	1.5
199.03880	0.4
201.05472	0.4
203.03351	0.3
205.04726	0.3
205.06570	0.3
209.05952	0.7
209.08034	0.5
211.03854	4.6
213.05397	0.3
215.03334	0.7
215.06938	0.3
217.04903	0.8
219.02866	1.8
221.06038	1.4
223.02052	0.3
225.05441	5.7
226.05850	0.2
227.03337	0.7
229.04945	1.4
231.02837	0.6
233.08034	0.3
237.05576	0.9
239.03387	1.2
239.07066	0.7
241.04930	0.7
243.02850	0.8
243.06488	1.1
244.03662	0.3
245.04430	3.5
245.21471	0.2
249.05441	0.9
253.04933	3.8
255.02831	0.5
256.03705	0.5
257.04407	5.4
257.08887	0.2
258.05060	0.2
259.11087	0.3
260.03180	1.5
261.03888	4.4
263.01834	2.2
265.04956	0.7
267.02875	2.6
267.06451	0.6
269.04443	1.6
270.05072	0.4
271.02444	1.1
271.05957	11.6
272.02878	0.3
272.06351	0.5
273.03882	100.0
274.04236	4.8
277.05066	1.4
281.04401	4.1
282.04996	0.4
283.06015	0.8
284.03278	0.8
285.03897	35.7
286.04257	2.2
287.01852	1.6
287.05457	2.0
288.02158	0.3
289.03467	0.4
293.04373	0.4
295.05997	3.2
296.06030	0.2
297.03885	6.1
298.04681	1.2
299.01880	2.7
299.05417	29.5
300.05814	1.9
301.03329	1.1
303.04913	1.8
305.04361	0.6
307.80481	0.2
309.08530	0.3
310.04581	0.7
311.05417	2.6
313.03516	0.6
313.06979	6.0
314.07425	0.4
315.04999	1.0
321.04010	0.4
323.05438	5.0
324.05713	0.3
325.03397	1.2
326.03790	0.2
327.04938	39.0
328.05243	2.3
333.03812	0.3
339.04944	14.1
340.05261	0.9
341.06384	2.0
345.10785	0.3
351.04929	10.8
352.05368	0.6
357.05997	8.9
358.06454	0.6
369.05981	15.8
370.06357	1.0
373.10342	0.2
377.39108	0.2
387.07043	13.9
388.07532	0.9
398.07895	0.2
405.08109	10.0
406.08536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59155	9.0
55.05505	100.0
55.17239	9.8
56.05021	23.8
57.03429	36.5
65.15025	9.7
67.05504	92.0
67.48663	11.5
69.03434	13.2
69.07056	32.2
70.14391	50.7
71.08622	79.9
79.05479	71.6
81.07043	95.3
83.04949	11.5
83.08599	39.1
91.05466	35.6
93.07025	69.9
95.08595	43.9
97.10151	80.9
98.20792	12.2
99.08080	63.9
99.28867	10.3
103.65815	12.4
105.07005	28.9
107.08578	50.1
109.10137	31.0
117.06999	12.2
118.09845	10.4
119.08524	21.9
121.10165	13.4
122.97700	10.7
125.09612	67.9
131.08582	14.1
133.10072	26.2
135.08015	14.3
135.11661	15.0
140.14374	33.4
145.10083	10.9
147.11597	12.7
149.13182	14.3
151.11180	17.3
152.80858	10.0
157.99966	9.5
161.13264	14.7
163.11172	14.0
173.11653	53.8
179.14333	15.6
184.22108	12.9
189.11208	52.7
208.81032	11.3
227.12784	46.4
228.86609	9.6
229.14372	22.7
241.19611	11.4
245.13892	32.8
259.20523	11.6
265.04111	10.0
268.18979	29.6
269.17413	31.8
273.03888	16.3
275.89005	10.9
276.22964	14.1
277.21698	32.8
286.19958	55.1
306.65784	12.0
327.05121	13.3
351.25339	36.1
368.27917	27.0
386.28943	13.1
413.92319	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	404.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07047	3.4
55.01863	5.2
55.05507	27.3
57.03426	20.1
57.78765	3.5
64.84315	3.7
67.05495	69.3
69.03430	5.1
69.07059	23.8
70.89642	9.0
71.04943	4.5
71.08624	23.8
76.97433	3.6
79.05479	41.9
81.03424	4.5
81.07046	69.1
83.04971	13.3
83.08615	17.7
85.06558	5.6
86.94090	3.6
91.05473	32.5
93.07038	57.5
95.04956	15.3
95.08594	28.3
96.52759	3.3
97.06503	12.5
97.10117	9.5
99.08076	18.4
105.07013	16.4
107.08575	32.1
109.06514	8.5
109.10129	11.0
109.86282	3.6
111.08099	7.4
117.07010	14.2
119.08569	10.5
121.10133	13.7
123.11654	8.0
125.09615	9.2
129.07047	4.6
131.08549	12.3
133.10106	22.5
135.11678	11.6
139.11160	4.8
145.10144	4.2
147.11668	7.8
149.13255	23.8
151.11162	12.8
159.11671	29.4
161.13242	13.2
163.11162	6.7
173.11678	7.5
177.12724	19.9
179.14268	12.0
189.11215	7.6
195.13794	11.1
205.47826	4.1
227.12746	14.4
241.19499	5.7
253.17912	3.9
259.20529	8.3
269.17429	100.0
273.03897	17.6
277.21606	12.4
286.20132	5.7
299.05545	9.3
327.04852	6.5
339.05008	4.2
351.25128	27.1
380.54547	4.3
388.39468	3.9
422.66238	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	404.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.9
55.05497	13.8
56.96558	6.0
57.03421	12.6
67.05495	48.3
67.23381	2.8
69.07073	18.8
70.89538	7.8
70.89890	3.2
71.04971	4.4
77.03875	3.2
78.18815	3.3
79.05483	34.8
81.03398	6.4
81.07045	50.3
83.04966	10.3
83.08610	11.7
85.02884	4.0
91.03931	3.7
91.05476	13.9
93.07035	34.9
95.04961	9.6
95.08599	16.8
97.02866	4.0
97.06524	7.9
97.10141	3.5
99.08086	3.9
105.07021	14.1
107.08573	16.6
109.06450	3.3
111.08011	3.5
117.07011	6.7
119.08571	9.0
119.83055	3.2
121.10120	11.6
123.08060	3.6
131.08574	8.3
133.10117	10.0
135.11639	7.4
147.11638	6.4
149.13239	22.7
151.11137	5.3
159.11668	15.0
165.41017	3.7
177.00763	2.8
177.12738	8.5
195.13782	13.8
217.07463	3.3
229.07553	3.3
261.03799	3.8
269.17444	100.0
270.07401	2.7
271.05917	4.2
273.03876	29.7
277.21606	6.3
281.10788	6.9
299.05420	7.5
305.91660	3.2
327.04977	11.2
349.17014	4.6
351.25327	6.0
367.17767	15.5
369.05930	6.6
385.19022	5.2
387.07028	5.8
405.08044	5.1
405.22348	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
55.05494	6.9
56.96550	11.3
57.61972	2.9
65.20552	2.6
67.05493	17.1
69.07050	6.8
70.10495	5.9
70.10904	12.2
76.19086	2.9
79.05486	12.9
81.07037	21.6
83.08570	4.2
91.05466	8.9
93.07031	12.5
95.04927	3.7
95.08597	8.7
98.97550	22.6
99.01965	3.3
99.08051	3.1
105.07035	6.3
105.38235	3.0
106.23064	3.2
107.08568	6.2
108.05988	3.1
109.10221	3.4
116.98602	19.3
119.08566	5.5
121.10131	3.2
131.08507	3.8
133.10030	3.3
134.99641	13.9
135.11639	3.9
137.05949	13.8
149.13271	6.1
159.11694	5.7
176.07025	4.4
177.12746	3.8
210.99242	3.0
211.09882	3.1
217.17978	3.5
226.11171	6.9
231.21150	3.7
235.02780	18.4
253.03780	37.2
269.17499	25.5
273.03900	10.2
276.05383	5.4
330.26239	3.1
351.25311	7.1
404.17163	20.5
405.22403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	16.1
57.03421	5.3
67.05493	23.7
69.07047	10.2
71.04977	53.8
79.05491	21.5
81.03383	7.2
81.07041	27.5
83.04954	9.5
83.08593	4.8
88.92981	3.4
91.05466	28.4
93.07024	23.5
95.04896	3.9
95.08585	20.4
99.21747	3.1
105.07007	33.9
107.04912	6.4
107.08565	16.4
109.06474	4.8
109.10114	8.9
117.06995	19.4
119.08561	25.2
121.06477	8.6
121.10142	7.9
123.08064	7.2
129.01730	3.6
129.06978	11.7
131.04919	3.6
131.08546	24.7
133.06442	12.1
133.10094	15.3
135.08038	7.2
135.11618	7.2
141.06982	5.2
143.08534	16.7
145.06432	6.7
145.10069	18.7
147.07983	9.2
147.11676	10.2
149.09587	9.9
151.07446	5.7
155.08447	4.3
157.06400	4.3
157.10106	12.3
159.08032	12.8
159.11630	12.3
161.09601	11.2
161.13229	4.1
163.11133	6.4
169.10164	6.3
171.11617	8.4
173.09560	12.0
173.13210	7.9
175.11121	10.1
177.12639	4.0
183.11597	6.6
185.13174	7.0
187.11145	9.3
187.14743	6.5
189.12764	4.5
195.11641	6.1
199.11107	5.9
201.12770	8.1
205.12195	5.1
215.14308	7.5
219.13797	4.3
227.14212	4.5
231.13844	5.6
231.46181	3.5
243.13757	5.8
257.18982	9.8
267.17358	9.2
273.21933	5.4
283.20483	23.0
285.18344	20.7
301.21539	44.7
314.96680	4.8
317.21213	16.8
325.25107	6.3
329.41068	3.2
333.24307	5.0
343.26428	8.6
353.24829	32.6
371.21115	6.5
371.25714	100.0
385.27069	8.1
403.28436	51.6
404.28644	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	403.1958
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.85195	1.6
53.03951	3.2
53.16781	1.4
55.01868	3.4
55.05502	5.1
56.17665	1.3
57.03428	4.4
58.06601	1.7
59.04987	2.5
61.02909	7.2
65.01771	1.2
67.05475	3.7
69.03421	29.5
69.07056	4.0
70.06577	9.5
70.30194	6.6
71.04986	2.8
72.08145	3.0
73.02915	2.0
79.05488	4.5
81.03389	7.9
81.07048	3.3
83.04962	12.9
83.08609	4.5
84.04485	2.5
84.08120	3.2
85.02895	39.7
86.09694	14.0
87.04468	4.0
91.03921	1.9
91.05470	4.5
93.07018	10.4
95.04971	4.4
95.08590	6.8
97.02875	21.3
97.06507	15.9
97.10163	2.0
98.09748	1.7
99.04449	4.0
105.07027	4.0
107.04930	1.8
107.08589	7.0
109.02872	4.6
109.06510	5.2
109.10124	2.8
111.08067	9.3
113.05991	2.6
119.08578	5.8
120.08127	2.0
121.06482	10.2
121.10094	7.7
123.04417	5.5
123.08041	9.4
125.05997	5.7
125.09612	65.3
127.03850	7.0
131.08530	2.7
133.10112	2.6
135.08041	7.2
135.11703	5.5
137.09586	5.2
139.07526	30.0
144.08928	1.6
145.04976	7.0
145.10138	1.7
147.08034	4.3
148.05977	1.6
149.05965	8.7
149.09596	50.1
151.11165	2.4
156.13855	1.9
159.11717	8.1
161.09547	8.4
163.11185	11.1
165.09128	5.5
167.07013	54.6
175.11249	2.7
177.12698	11.6
181.12291	2.3
187.11168	11.1
189.12643	2.2
190.09987	1.6
200.16508	2.7
205.12209	60.2
206.12621	2.5
223.13261	100.0
224.13557	2.3
241.14326	18.5
259.11102	4.1
271.06055	2.5
273.03955	6.4
285.03909	2.7
299.05444	1.6
303.04938	2.4
315.04962	1.6
403.33585	11.9
404.17215	1.9
409.70212	1.6
417.33139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	2.4
60.19286	1.5
64.64216	1.5
67.05486	2.4
69.42650	4.0
69.43056	15.1
70.06580	5.1
79.05463	4.5
81.07034	4.5
83.04955	2.0
85.02878	2.1
86.09669	2.1
91.05470	5.0
95.04903	2.1
95.08602	2.1
103.05451	2.4
105.07018	9.6
107.04971	3.5
107.08579	2.0
107.98077	1.6
109.06475	1.5
115.05431	3.8
119.04895	2.2
123.04380	10.2
124.05195	2.8
129.18129	1.6
131.04926	4.4
133.06459	13.5
137.05960	2.6
149.05931	1.9
151.03891	2.6
153.01801	5.0
153.05466	3.1
161.05968	14.1
165.05522	2.4
167.07025	100.0
168.07358	3.8
170.08675	1.7
179.06891	1.5
181.04892	4.0
193.08594	31.0
211.09560	2.8
259.11087	3.5
263.01767	3.5
307.19238	1.7
341.31763	1.6
357.07632	3.4
375.08279	2.0
379.49197	1.6
385.07043	2.6
403.08075	24.4
403.13513	2.9
404.08228	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	402.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40942	0.3
53.03952	0.4
55.01851	1.0
55.05490	1.4
57.03414	0.5
58.06350	0.3
58.06588	3.4
59.27660	0.4
67.05486	1.5
69.07056	0.6
69.46984	3.8
70.06585	4.0
71.04961	0.6
71.08252	0.4
71.08620	6.5
72.07771	0.5
72.08144	7.7
73.08473	0.6
73.44188	0.4
76.07621	1.0
79.05486	1.8
81.07045	2.5
83.08604	0.5
84.04482	0.9
84.08138	2.8
85.02905	1.0
86.09685	3.7
86.45397	0.3
91.05464	1.0
93.07002	0.6
95.04919	0.7
95.08591	7.5
97.06525	10.2
98.06059	2.3
98.09672	0.4
99.07432	0.7
99.08080	12.1
105.07024	0.8
107.04958	0.4
111.08061	0.6
112.07580	1.2
112.11212	3.4
120.08070	1.2
121.06536	0.5
122.09689	0.5
123.04438	0.7
123.08059	4.7
126.09143	1.1
127.08659	0.4
128.10701	1.4
130.05061	0.4
137.05940	0.5
141.09111	3.3
142.12250	0.4
147.41406	0.4
149.05971	1.2
150.06293	0.6
152.10674	1.1
155.15331	0.5
156.13815	60.4
157.14127	1.1
161.05962	0.6
167.07004	0.9
168.13884	0.7
170.11755	3.6
170.15358	4.4
172.13278	0.7
178.72963	0.4
179.06941	0.4
180.13812	1.8
189.09227	0.4
194.15491	0.4
198.13048	0.8
198.14871	14.3
200.16431	1.7
205.12195	0.5
206.12621	0.4
212.16464	1.1
216.15904	13.9
227.21042	2.2
230.17448	1.6
244.23848	1.4
255.60358	0.4
273.03946	0.6
287.23236	0.8
297.04028	0.4
304.25760	0.4
312.41922	0.4
358.81256	0.4
384.15295	0.4
384.32019	3.0
385.30920	0.7
402.33221	100.0
403.33582	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	403.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09623	0.9
54.73060	0.7
55.01855	4.2
55.05494	0.8
66.92673	0.9
67.05488	2.2
69.07051	1.0
70.06587	4.7
76.58926	0.8
79.05473	2.2
80.85629	0.8
81.07055	1.4
83.50316	0.8
84.08118	1.6
85.02884	1.2
85.51589	0.8
87.04457	0.8
91.05463	2.7
93.07027	1.5
94.06586	0.9
95.04968	1.5
95.08597	1.2
97.06458	1.0
100.11240	1.1
103.05494	0.8
105.07022	2.2
107.08527	1.0
108.04454	1.1
117.07015	0.9
119.08589	1.0
122.06083	0.8
123.04384	0.9
127.03920	0.9
129.10176	0.9
133.06516	1.2
136.03920	1.2
137.05939	0.9
151.03896	1.3
151.07570	1.0
156.13846	1.2
161.05957	2.2
167.07022	13.5
168.07986	0.7
177.05328	1.0
181.04948	4.2
182.09637	1.0
185.07115	2.0
185.10704	3.8
186.07881	0.9
191.06981	0.8
193.08612	2.2
194.35008	0.8
195.09200	1.2
196.10104	0.8
197.10930	0.9
198.07776	4.1
199.08636	11.5
199.12361	1.9
200.09489	2.3
209.10736	2.1
210.09019	1.9
211.08713	1.6
212.09215	4.4
213.06786	4.9
213.10214	22.0
214.07185	1.8
214.10915	1.9
215.08089	1.1
222.07852	1.0
225.10194	2.2
226.07344	2.6
226.10925	1.4
227.08167	13.2
227.11732	12.5
228.08807	5.3
229.09683	5.2
233.04605	0.8
237.10222	4.9
238.08682	1.2
239.08179	3.0
239.11694	1.1
240.08817	7.9
241.06107	6.7
241.09688	36.4
242.10268	3.3
253.09650	2.8
254.10527	2.0
255.07642	5.0
255.11263	38.6
256.08481	2.4
257.09122	6.7
265.09836	3.8
267.11365	1.3
268.08420	1.9
269.09167	25.7
270.10013	6.3
282.10016	1.4
283.07343	2.1
283.10712	46.0
284.11203	1.4
287.13846	2.6
293.09076	1.8
297.08871	1.1
297.12546	1.1
311.10199	23.6
312.10461	1.3
315.09772	2.1
315.13290	11.6
325.11606	1.4
329.11331	2.2
339.09644	6.5
343.12827	100.0
344.13184	4.6
353.11331	2.6
371.12332	77.8
372.12582	2.3
385.14075	2.4
389.13596	4.1
403.14914	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	402.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05273	0.5
55.05501	5.5
57.45437	0.4
58.06586	2.6
64.39442	0.4
67.05474	1.5
69.03397	0.7
69.06698	0.6
69.07059	10.8
70.06560	1.0
71.09628	1.1
72.08140	6.7
73.06513	1.5
79.05487	4.1
81.07027	1.7
81.34540	0.4
83.08621	3.5
84.04463	0.5
84.08129	2.6
85.02845	0.6
86.09685	1.0
91.05444	0.8
97.02863	0.8
97.06515	3.6
97.10159	7.9
98.06014	1.5
98.09647	0.8
107.08569	3.8
111.27251	0.4
112.11242	3.6
115.07555	4.9
116.11097	0.4
125.09616	5.9
126.09109	2.5
133.04895	0.5
143.10626	1.1
154.12260	3.6
156.13817	0.7
168.13846	1.4
172.13300	29.4
173.13579	0.9
182.15309	1.0
186.14833	3.9
199.18073	0.8
200.16432	57.5
201.16727	1.7
214.18108	2.0
243.20580	0.7
260.23236	0.6
263.43958	0.4
271.23782	1.3
288.26349	1.3
384.32138	3.2
385.30603	1.7
398.31985	0.4
402.33221	100.0
403.33487	6.3
419.65173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80606	4.8
53.03932	6.2
55.01855	9.4
55.05504	62.2
56.05026	8.8
57.03425	23.0
67.05502	63.6
69.07054	100.0
70.06578	18.3
70.36451	26.7
71.04958	6.9
79.05476	66.5
81.03400	10.4
81.07037	79.5
82.06529	7.9
83.04967	15.3
83.08604	41.0
86.79516	5.8
91.05467	49.7
93.07017	76.9
95.04962	10.7
95.08591	40.2
97.06503	20.1
97.10149	61.7
105.07018	46.1
107.04927	10.0
107.08580	51.5
109.02873	10.4
109.06501	7.1
109.10133	25.6
111.08022	6.8
117.07012	22.7
119.08559	36.4
121.06535	8.7
121.10151	17.3
125.09599	43.0
129.06987	8.0
129.10155	6.5
131.08545	23.9
133.10100	31.6
135.08049	10.2
135.11671	15.6
138.12753	17.2
143.08568	6.7
145.10114	20.5
147.11656	19.6
149.09628	21.6
149.13239	12.3
159.11652	24.0
161.13336	7.6
163.11154	14.3
171.10127	15.5
173.13220	8.9
177.12679	11.7
179.14270	9.8
189.11192	32.1
194.15332	11.0
227.12732	43.5
229.14326	10.4
230.09250	5.4
245.13814	26.1
253.18007	15.4
255.15805	18.6
257.19012	17.5
268.19064	9.3
269.17380	27.7
275.19998	64.0
286.20117	67.2
294.58099	6.2
349.23639	65.9
366.26346	25.6
384.27335	19.4
402.28345	13.3
407.53799	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	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	56.2
67.05507	76.5
69.03414	17.8
69.07053	40.4
70.06589	16.4
70.96844	40.7
71.04977	14.3
79.05482	85.0
81.07036	100.0
83.04970	20.6
83.08616	30.8
91.05483	47.0
93.07042	85.7
95.04956	21.5
95.08594	54.8
97.06538	22.6
97.10183	15.1
105.07014	37.1
107.08579	63.7
109.06545	16.8
109.10205	17.1
117.07007	15.8
119.08570	36.0
121.10170	29.0
131.08531	29.6
133.10133	17.5
135.11685	36.6
145.10120	18.8
147.11674	21.0
149.13268	31.4
159.11688	32.4
177.12833	16.8
227.21463	15.7
255.15887	92.4
269.17517	64.0
275.20255	22.2
349.23892	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70653	0.6
55.01865	0.6
57.03424	0.7
61.65563	0.5
64.61012	0.6
68.04988	0.7
70.06584	3.0
70.99554	0.5
71.32340	1.2
72.08141	5.5
74.00608	0.6
74.97025	0.6
79.05488	0.5
80.04997	1.5
84.04482	2.6
84.08116	1.5
85.02896	10.3
85.03999	2.1
86.09686	2.6
87.05579	0.8
90.89668	0.5
91.05450	0.9
92.01663	0.6
93.05777	3.6
94.06554	1.6
97.01082	1.6
97.02888	0.7
99.02658	2.7
100.02200	0.6
106.06527	1.7
110.07144	0.6
113.03445	1.4
117.05747	0.6
118.06535	3.2
120.08098	0.9
124.02155	0.6
125.02942	12.5
126.03726	20.4
127.02097	2.5
127.04065	0.6
129.10190	0.6
130.05008	3.1
130.06488	0.7
131.03413	0.7
131.04501	1.6
131.07281	2.5
132.08084	3.9
133.06087	0.5
134.05974	0.8
136.02199	0.8
138.03722	0.9
145.03096	0.6
148.07527	1.9
150.03682	2.7
151.06281	0.7
159.06758	1.1
160.07542	1.9
164.05260	11.1
164.06729	0.7
166.03181	3.0
167.06966	0.7
171.11209	0.7
174.03731	0.6
176.07074	2.2
177.03271	4.0
177.07828	2.3
178.08601	2.1
182.06342	1.0
184.04266	1.6
191.57434	0.5
192.04735	12.5
192.06282	0.6
194.08064	1.2
195.02834	1.3
204.06532	1.3
205.07323	1.9
205.89032	0.5
206.08136	1.0
208.09741	0.8
210.05814	20.9
211.06161	0.5
220.04269	2.4
223.08400	0.9
224.09154	8.0
226.10803	0.8
228.06897	4.1
231.02834	1.0
238.05316	10.1
239.05650	0.7
240.12169	0.8
256.06348	100.0
257.06711	3.8
261.03711	0.6
270.50015	0.7
271.05823	0.9
271.13925	0.6
273.03821	1.6
289.03259	1.6
303.04785	0.5
367.04083	0.6
385.05295	0.9
402.13171	1.2
403.06750	1.0
403.18680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
55.01860	13.2
55.05498	48.6
57.03431	11.8
67.05188	8.4
67.05502	61.8
68.94991	7.7
69.03399	17.8
69.07056	54.1
69.86836	51.1
76.93922	7.4
79.05473	67.1
81.03396	14.9
81.07041	59.6
83.08596	28.6
91.05456	50.0
93.07031	56.4
95.04942	17.9
95.08593	29.5
97.02888	14.0
97.06524	14.3
97.10150	21.7
105.07001	57.4
107.04943	13.5
107.08575	48.8
109.06498	8.3
109.10123	17.2
113.73488	7.5
117.06987	27.7
119.08535	38.5
121.10117	15.4
125.09600	16.5
128.06181	9.0
129.06982	25.3
131.08549	49.6
133.06552	8.6
133.10112	35.5
135.08034	10.9
135.11688	20.6
141.06935	15.5
143.08524	30.1
145.06479	13.6
145.10135	39.7
147.08047	9.6
147.11668	17.0
151.48672	7.9
155.08549	21.1
157.10068	20.4
159.11646	23.5
161.09569	10.3
161.13293	10.8
167.08502	11.1
169.10033	10.4
171.10159	9.9
171.11699	19.7
173.13200	11.8
183.11636	19.3
187.11121	11.5
189.11214	13.8
194.15405	11.3
197.13210	13.9
227.12726	10.5
255.15846	12.2
257.19073	10.7
268.19110	11.5
269.17606	12.6
275.19980	27.0
286.20096	24.6
339.23169	11.0
349.23706	22.6
366.26471	13.0
367.22586	27.5
385.23593	37.0
403.24680	100.0
404.55804	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	401.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80173	7.9
53.03934	12.8
55.01854	17.3
55.05505	49.2
55.39275	8.2
57.03411	27.5
67.05488	53.9
69.03417	42.9
69.07069	42.2
70.06594	80.6
71.04967	37.1
71.69596	9.0
71.69991	12.4
72.08135	11.4
73.02925	12.9
79.05497	60.7
81.03410	18.2
81.07041	100.0
83.04967	11.7
83.06098	10.5
83.08583	24.8
84.04488	29.4
84.08105	19.3
85.02885	34.7
86.09702	12.9
86.97934	7.7
87.04453	9.9
91.05463	37.9
93.07030	86.4
95.04961	17.8
95.08601	69.9
97.02877	20.7
97.06512	15.7
97.10138	10.1
99.04440	11.8
99.08067	22.0
103.05453	18.0
105.07027	63.7
107.04932	25.1
107.08576	79.6
109.06496	22.4
109.10158	59.2
111.04432	11.6
111.11753	12.3
113.09599	10.6
115.03926	9.2
117.06983	20.5
119.08579	45.2
121.06508	17.7
121.10111	37.5
123.04446	14.6
123.08056	20.7
123.11670	51.2
124.05163	9.1
125.09594	18.7
126.33609	8.4
127.08670	12.5
127.11188	24.2
129.06960	11.0
129.10266	11.1
130.04994	18.5
131.04913	11.0
131.08510	26.1
133.04933	8.6
133.10117	39.6
135.11681	55.8
137.06000	15.9
137.13274	21.6
143.08585	12.5
143.10669	9.4
145.06506	11.5
145.10114	23.9
147.11678	33.5
149.13232	35.2
153.12787	15.1
156.05687	15.1
156.13812	14.9
157.10045	23.3
159.07997	18.9
159.11668	29.3
161.09563	10.8
161.13237	21.1
163.07463	14.1
163.14787	10.9
166.06294	9.1
167.07019	99.2
167.10599	8.7
171.11673	14.2
173.09650	9.0
173.13187	16.5
177.05472	10.7
181.04938	22.0
191.06950	14.4
193.08545	12.6
201.16356	11.3
203.06847	10.7
203.17984	23.6
205.19458	24.1
217.08575	15.3
219.07967	10.6
221.18918	13.4
225.05440	14.8
229.08574	9.8
231.07890	10.8
247.07472	18.3
249.09166	10.9
263.06998	10.3
269.08179	11.1
271.05957	35.1
282.08966	12.6
291.09964	18.3
293.07849	11.1
315.08566	27.7
319.09711	16.2
328.09305	11.1
330.10883	51.2
331.11575	18.1
340.08826	9.5
351.12186	30.9
352.12683	10.4
365.22980	12.1
368.12576	11.9
383.14938	67.7
383.24435	10.5
401.11560	14.2
401.16068	15.3
401.24878	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05500	6.4
55.93900	2.3
56.45703	2.6
67.05487	11.1
68.11983	2.5
69.07052	4.6
70.06575	9.7
71.05004	3.6
71.70574	3.6
79.05480	21.4
81.03402	4.9
81.07037	11.7
83.08570	5.6
91.05462	11.8
93.07016	5.3
94.23956	2.7
95.04963	7.8
95.08595	10.3
97.02869	4.0
97.06487	4.4
105.07011	5.3
106.04171	3.2
107.04942	30.0
107.08579	6.1
109.02846	4.1
116.06210	3.8
117.07021	3.8
121.06529	4.9
121.10126	4.5
123.04395	6.2
124.05191	7.2
128.03491	2.4
128.06219	4.6
129.06961	7.3
131.04909	2.6
131.08546	15.5
137.05959	9.2
141.06985	6.0
143.08641	3.2
144.05673	6.0
145.06458	7.6
153.05423	3.4
156.05681	11.2
157.06465	4.0
159.08034	12.1
161.05966	5.5
163.03860	4.3
166.03267	3.1
167.07014	100.0
168.07407	4.5
169.06450	5.6
173.05908	3.7
175.07578	4.7
177.05388	4.2
181.04962	6.5
181.06429	2.9
181.08536	3.1
184.05051	3.7
187.07500	10.3
191.07025	6.7
191.08539	3.5
193.08521	4.1
194.07281	3.2
202.07886	6.8
203.08629	4.0
205.06815	4.5
205.08571	19.0
207.06424	5.5
208.05150	18.2
209.08049	4.8
211.07416	2.7
217.08549	24.8
218.07286	5.5
219.08055	13.5
219.10078	4.5
221.06001	7.2
229.08591	4.8
231.08029	8.8
232.08688	3.1
233.06042	3.0
233.09422	4.0
234.06813	2.9
234.99101	4.2
235.07495	3.6
236.04642	6.9
236.08260	6.3
239.07166	3.8
241.08931	3.1
245.09306	3.2
246.06818	5.4
247.07726	13.7
247.09599	16.7
248.08287	9.3
249.05397	4.1
250.06282	3.6
251.07095	4.0
251.10896	3.4
254.05571	9.5
257.08261	3.3
259.07639	4.2
261.09134	5.1
263.07135	2.7
263.10690	12.1
264.04031	3.2
264.07553	4.3
265.08447	6.9
266.05692	3.8
267.06400	9.4
268.37744	2.6
269.08090	21.0
271.09653	7.0
272.06912	5.5
275.06992	7.6
276.07736	8.0
277.08624	10.0
279.10089	7.8
280.10501	2.9
282.08878	14.1
287.06525	3.5
290.09152	5.2
291.06860	3.3
291.10001	13.3
291.19653	4.4
292.07364	3.9
293.08029	11.8
296.10510	3.0
299.09238	6.9
301.06989	3.9
305.08044	4.2
307.09607	9.5
308.10349	6.8
309.07773	4.2
309.11136	4.3
310.08334	7.9
315.08557	58.9
319.09521	6.0
321.07593	6.1
323.09091	4.0
323.12753	15.9
324.09793	4.2
325.10553	3.2
328.09555	7.4
330.10919	73.8
331.11700	8.8
336.09830	4.9
337.10587	7.5
339.12183	9.4
343.11765	20.4
351.12277	30.6
353.10208	7.4
356.12497	7.4
368.12604	8.7
369.13397	4.7
371.14789	4.7
383.14893	63.9
401.16452	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1586
Annotation	Gomisin R
Peak:m/z	Relative Intensity
54.66732	2.8
55.01840	3.6
55.05512	4.2
62.20074	3.2
63.24563	2.7
67.05495	6.8
69.03400	5.7
69.07043	4.1
70.06586	46.7
71.04983	3.9
71.69454	3.7
71.69815	4.2
72.08141	16.8
79.05466	23.1
80.22869	3.1
81.07040	7.3
82.95901	3.4
83.04950	4.7
84.04481	8.0
84.08128	18.9
85.02856	5.9
86.09695	27.3
87.04449	12.9
88.04790	4.6
91.05455	12.8
93.07040	5.2
95.04950	7.9
97.02914	4.1
99.08082	5.4
100.11266	4.0
101.12071	3.3
101.96822	3.7
103.05413	5.2
105.07021	6.4
105.70419	3.6
107.04940	33.3
115.05448	4.0
117.07032	3.7
120.08102	4.3
121.02798	3.7
121.06516	4.4
123.04429	5.8
124.05193	5.3
128.06180	4.4
128.07071	4.1
129.06960	5.8
129.10185	6.3
131.08522	9.0
134.82320	3.5
139.11165	6.6
141.06946	8.2
144.05690	6.7
145.06456	9.7
147.04379	4.4
150.09096	4.3
151.03886	7.4
156.04626	5.0
156.05704	8.4
156.13803	18.9
157.05055	3.2
157.14192	4.8
159.08063	18.9
163.03871	4.8
167.07024	95.4
170.06342	15.3
171.06685	8.8
172.13271	4.3
173.05977	6.7
177.05540	4.5
181.04955	6.5
183.15701	4.0
185.16470	6.8
186.06720	8.0
187.07478	6.5
191.06969	4.6
191.08525	3.8
195.06398	4.2
201.09038	3.8
202.06171	4.1
205.06856	3.8
205.08492	16.0
207.06453	8.0
207.08118	4.9
208.05145	28.7
209.07924	3.9
210.14900	4.6
211.07570	3.9
211.15144	6.9
217.08549	17.1
218.07312	5.8
219.08023	17.8
219.09955	5.2
220.08856	6.5
221.05939	12.1
229.08594	11.1
231.08032	11.3
232.08849	4.9
233.09692	4.1
235.07594	4.3
236.04596	8.1
236.08337	5.5
238.06004	4.6
240.04211	4.2
243.08595	5.3
246.06882	4.8
247.07533	16.4
247.09735	19.8
248.08237	15.6
249.09148	8.8
254.05754	6.7
256.09906	15.5
257.10294	24.4
259.07471	8.3
261.09091	5.9
262.06055	4.7
262.09845	4.3
263.07336	4.6
263.10645	13.5
264.07825	11.2
265.08548	8.3
267.06430	10.4
269.08051	24.6
271.09756	9.1
272.06683	5.2
274.06189	4.0
275.06931	7.9
276.07782	12.8
277.08640	8.1
279.10028	17.2
282.08813	17.8
290.09399	6.9
291.06720	5.3
291.10056	24.0
292.07159	6.4
293.08005	12.4
294.08627	3.7
299.09222	8.7
305.08035	5.3
307.06354	5.1
307.09607	14.1
308.10495	11.3
309.10840	4.6
310.08276	11.2
313.22772	3.2
315.08539	77.0
316.09048	5.3
319.09647	6.5
321.07559	6.6
323.12598	19.4
327.08737	4.5
328.09348	5.1
330.10947	95.7
331.11603	12.9
336.09814	5.9
337.10632	8.3
338.21490	4.3
339.12338	12.0
343.11588	23.9
351.12201	38.5
352.12903	5.4
353.10269	9.7
356.12753	3.7
368.12436	15.2
369.13290	10.6
371.14999	5.7
383.14838	100.0
383.30786	6.1
384.14969	6.2
401.15872	48.9
401.21091	5.5
401.23474	5.6
401.31699	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
56.96550	0.7
57.03405	1.2
61.02925	0.5
69.03416	2.9
70.06577	1.5
71.08653	0.5
71.23046	0.4
71.70033	0.6
72.08138	1.2
73.02893	0.8
84.08135	0.6
85.02891	1.7
97.02889	2.8
97.37577	0.4
97.46658	0.4
98.56017	0.4
109.38093	0.4
111.04437	0.6
115.03904	1.3
115.76984	0.4
119.03506	1.2
127.03913	0.6
133.04965	0.6
136.06161	100.0
137.04572	0.8
137.06502	1.3
166.75679	0.4
178.07101	0.4
189.03983	0.5
194.11803	0.5
226.22694	0.8
268.10373	7.8
281.02991	0.6
400.14856	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05500	3.9
56.05020	2.8
70.06581	28.3
71.04983	3.9
71.69574	5.1
72.08137	13.2
79.05487	18.6
79.80116	2.6
81.03388	3.5
81.07034	4.5
81.96661	3.2
83.04952	3.2
84.04469	5.3
84.08126	10.7
86.09701	15.9
87.04454	7.6
91.05466	10.5
93.07018	3.3
94.06483	2.7
94.53275	2.5
95.04942	6.2
97.02881	4.5
99.08096	3.1
100.11243	5.5
103.05445	5.8
105.03348	4.4
107.04915	30.7
109.06427	4.1
115.05453	3.4
119.01842	2.6
121.06461	6.1
123.04404	6.4
124.05186	6.0
124.08961	2.7
125.05980	4.9
129.07002	6.7
129.10188	4.0
130.04893	2.8
131.04884	4.0
131.08524	8.4
133.06474	4.0
136.43933	2.6
137.05937	3.0
139.11115	5.2
141.06978	5.2
144.05714	10.5
145.06461	6.9
151.03859	5.8
151.07462	3.5
152.04480	2.9
156.05687	10.8
156.13803	11.9
157.06393	4.0
157.14175	3.5
158.07259	3.4
159.08057	17.5
159.09161	4.6
163.03835	3.0
167.07016	100.0
169.06485	3.8
170.06332	7.3
171.06621	3.4
173.05960	4.3
175.07484	3.1
177.05421	5.1
179.07095	3.0
181.08507	4.8
185.16501	5.1
186.06735	4.6
187.07501	8.8
190.07744	2.8
193.06552	3.9
193.08493	3.6
195.06503	3.6
201.09076	4.4
202.06067	4.2
205.08583	10.3
207.06444	5.4
207.10088	4.2
208.05141	23.2
208.08794	4.2
209.17339	3.0
210.14790	4.6
211.07489	7.4
211.15149	3.4
212.12160	2.9
217.08559	22.5
218.07216	7.7
219.07991	14.2
219.10054	5.9
220.08742	6.4
221.05957	8.0
225.05318	3.6
229.08557	8.0
230.07211	3.3
231.07973	8.3
231.10123	3.3
233.09644	6.2
234.06680	4.4
235.07605	4.8
235.11319	3.7
236.04771	3.3
236.08156	4.6
238.06371	3.2
241.08488	3.0
245.09637	3.7
247.07387	20.0
247.09734	15.9
248.08371	15.2
249.05466	3.3
249.09024	6.3
251.10689	3.6
253.08411	3.2
254.05733	9.7
256.09927	9.0
257.10333	12.4
259.07452	4.1
261.09128	8.6
262.10022	3.8
263.07022	7.7
263.10672	16.5
264.07925	13.6
265.08453	5.7
266.05698	3.1
267.06418	8.8
269.08105	19.1
271.09637	7.4
273.08856	3.5
275.06973	9.8
276.07779	11.7
277.08539	6.4
278.05673	4.5
279.06851	3.0
279.10043	11.6
282.08768	15.9
290.09344	5.2
291.10013	26.5
292.07175	7.4
293.08005	12.3
295.06076	3.6
299.09094	4.8
305.08218	3.5
307.09720	14.9
308.10403	9.8
310.08258	9.1
311.12607	3.9
315.08548	73.4
316.09003	4.5
319.09680	11.4
321.07614	6.6
322.08173	5.2
322.12036	3.9
323.09259	4.8
323.12656	19.8
328.09335	9.1
330.10925	79.8
331.11740	12.9
336.10037	4.9
337.10648	6.0
339.12247	10.9
343.11749	27.3
351.12308	33.3
352.13000	4.5
353.10278	6.8
356.12463	6.0
368.12405	11.2
369.13394	8.0
371.14951	6.7
383.14902	78.6
401.16037	31.1
401.22638	7.7
401.31235	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	399.325
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
53.03920	4.2
53.94209	1.9
55.05499	12.1
57.07063	2.5
59.97898	2.2
67.05495	25.0
69.03410	2.8
69.07061	19.9
69.56300	2.1
71.04957	2.6
71.70467	3.9
79.05472	17.6
81.07043	57.8
83.04977	2.8
83.08604	10.0
84.09691	2.4
84.94292	2.1
85.06518	9.1
91.05462	17.4
93.07026	64.1
94.61909	1.9
95.04941	5.0
95.08592	60.9
97.06507	2.9
97.10139	3.9
105.07011	36.7
107.04932	3.3
107.08580	69.1
107.09322	3.7
109.06522	4.0
109.10130	26.1
111.08037	3.0
114.65298	2.1
117.07014	3.0
119.08561	47.2
121.06506	4.3
121.10129	50.1
123.08041	3.7
123.11683	11.0
125.09560	3.6
129.07024	2.2
131.08517	10.8
133.10123	29.7
135.08018	8.8
135.11671	22.2
137.09520	3.1
137.13219	4.3
143.08557	3.8
144.09251	2.6
145.10132	17.4
147.11662	25.0
149.09602	4.5
149.13228	100.0
151.11147	3.3
151.70586	1.9
157.10158	5.7
159.11673	22.6
161.09578	3.6
161.13225	41.5
162.13681	2.3
163.11140	6.4
163.14798	34.6
165.12726	7.1
167.10649	3.7
171.11661	6.0
173.13248	19.0
175.14793	24.1
177.12743	6.8
177.16353	11.3
179.14313	3.1
185.13188	5.3
187.14848	15.6
189.12674	3.0
189.16367	19.0
191.14276	6.7
191.17905	6.4
193.15800	2.4
199.14749	3.9
201.16325	6.0
203.14362	4.1
203.17955	8.8
205.15846	9.0
207.17313	4.5
211.14760	3.2
213.16354	11.4
214.16849	2.7
215.17929	9.1
217.16020	2.6
219.17485	5.6
223.16899	8.3
227.17929	3.5
229.19464	2.9
231.17401	5.0
233.19017	7.5
237.18491	3.2
241.19577	2.5
249.18457	11.2
259.20267	2.4
264.33936	2.4
311.23849	2.9
363.30435	17.3
381.26550	3.8
381.31421	39.9
399.32501	82.2
399.37674	5.2
400.32849	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	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01864	1.3
57.03424	6.9
61.02912	2.4
69.03419	10.9
70.06578	3.0
71.04957	1.6
71.65741	1.1
71.66103	1.1
72.08138	2.1
73.02913	1.9
75.04476	0.9
80.42670	0.8
81.03402	5.5
84.08064	0.9
85.02888	23.0
86.09695	1.6
87.04446	1.4
91.03950	1.4
97.02882	12.2
99.04455	2.1
102.04686	1.1
103.03933	3.0
103.05451	44.5
109.02837	4.0
121.02865	1.0
122.79773	1.1
127.03885	5.5
129.05455	1.0
130.04105	1.1
130.18340	0.9
131.04904	100.0
132.05217	2.0
136.06168	1.5
145.04935	3.9
145.06429	0.8
148.05151	10.8
155.64944	0.9
161.05956	4.2
163.03873	2.2
163.07516	44.0
187.07715	0.9
201.09134	2.2
205.06409	1.2
223.07541	1.0
237.11217	1.7
240.69250	0.9
256.72913	1.1
261.05441	1.1
269.04349	1.9
273.03757	1.7
279.06543	1.2
283.05911	1.3
285.03894	36.8
286.04196	2.8
297.03873	2.3
299.05389	1.8
307.05859	1.7
309.03818	1.3
310.04611	1.5
311.05374	2.6
315.05054	1.0
323.05450	2.6
325.06876	6.3
335.05325	2.4
351.04999	9.7
352.05396	1.5
353.06570	1.4
353.98248	0.8
363.04950	3.4
381.05948	7.4
382.05942	1.0
399.07062	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	399.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62095	1.4
52.71837	1.4
53.03930	3.6
55.01863	41.7
55.05506	37.1
57.03428	54.9
57.07040	2.3
59.04982	1.9
61.02909	3.0
65.03927	2.2
67.05495	44.0
68.06260	2.3
69.03418	11.1
69.07057	30.5
70.06583	3.5
71.04966	6.4
71.08612	4.4
71.31144	3.8
72.08124	2.4
73.02916	15.8
79.05483	35.3
81.03424	11.1
81.07044	38.9
83.04505	2.4
83.04968	22.9
83.08611	14.1
85.02895	3.3
85.06526	2.3
85.10138	1.8
86.09695	1.9
87.04465	2.1
91.05466	25.9
93.07038	27.6
95.04961	23.1
95.08599	20.9
96.05733	3.8
97.02876	5.1
97.06509	16.4
97.10152	20.5
98.07283	3.8
99.04430	2.0
99.08058	2.3
101.05988	5.1
105.07016	13.9
107.04961	9.6
107.08582	21.2
109.02863	3.4
109.06513	18.2
109.10139	23.3
110.07308	1.5
111.04430	6.1
111.08059	4.3
115.05423	2.6
115.07569	2.5
116.04699	35.2
117.06966	8.4
119.08573	16.8
121.06480	6.8
121.10117	10.2
122.07286	1.9
123.04375	3.6
123.08087	7.6
123.11701	1.9
125.09618	16.9
129.05464	100.0
129.06999	4.6
131.08528	7.7
133.06467	4.0
133.10136	9.8
135.08011	6.8
135.11678	7.8
137.05949	5.0
137.09581	28.5
138.10329	2.9
139.11116	2.6
143.07018	24.5
143.08546	3.1
145.06448	1.7
145.10089	5.0
147.08057	3.3
147.11633	6.8
149.09619	4.8
149.13264	1.8
151.07355	1.8
151.11163	1.9
153.09065	3.6
155.10608	8.1
157.07388	3.2
157.08611	48.7
157.10083	6.1
159.08063	5.8
159.11674	2.8
161.09682	2.9
163.11142	5.8
165.09009	2.3
165.12772	2.7
167.07024	6.9
167.10681	2.8
171.10164	15.8
171.11578	3.3
173.09538	3.0
173.11827	2.0
175.07632	1.6
175.11142	3.1
181.04932	2.9
185.09610	1.8
185.11685	1.9
189.11171	14.7
189.12682	2.3
193.12210	5.8
195.13661	2.2
199.13208	2.2
200.14053	8.6
221.11728	17.9
226.12039	3.1
227.12773	1.9
231.07797	2.1
233.15352	2.1
239.12769	13.0
249.08876	1.6
250.09283	1.9
271.16959	2.4
273.18427	4.0
285.04053	2.4
289.17914	6.2
291.19510	3.9
295.15308	4.3
307.18881	2.1
313.16422	4.0
337.10986	1.7
343.26828	1.6
360.67374	1.8
363.21564	2.1
365.23090	2.4
367.11792	2.0
381.22607	5.1
399.10385	4.1
399.14734	2.9
399.23608	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	399.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	20.3
61.02909	15.9
69.03416	18.0
69.69669	71.9
70.06580	36.4
71.08615	14.1
71.77367	8.5
74.06043	9.0
75.44885	8.8
84.08086	9.2
85.02898	30.3
97.02872	100.0
98.21133	29.4
98.97557	12.3
102.05502	27.0
119.01923	11.7
129.10207	10.5
131.00078	8.4
136.06149	75.7
138.80057	9.0
139.41736	8.3
143.44452	8.2
147.06517	10.7
156.03627	15.3
157.13069	8.7
157.92201	8.6
158.99628	8.7
161.02876	12.0
199.70276	8.7
224.54904	10.3
228.05751	41.0
229.11827	30.9
237.06250	18.0
248.57239	11.7
250.09337	75.6
298.09729	10.3
306.27014	9.1
386.14493	11.5
399.10690	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	6.1
56.96546	11.3
57.03423	4.7
69.03407	13.1
70.06573	9.6
71.08616	7.1
71.20891	8.5
74.06082	4.5
81.03389	3.4
84.08135	4.0
85.02899	22.7
85.10154	3.8
97.02881	35.2
98.97531	15.7
101.06009	4.4
101.17255	2.9
101.73849	2.8
102.05528	12.1
110.07158	5.7
111.04445	3.6
113.00879	3.2
115.46339	3.1
116.98606	11.7
119.01902	25.1
127.03957	4.8
128.72731	2.8
129.03871	2.9
129.05449	7.0
131.01891	13.9
134.99646	8.5
136.06152	53.5
136.07118	4.7
137.03061	7.1
143.01855	4.6
145.03452	11.0
145.04922	2.9
146.99623	6.0
147.06480	4.4
149.01199	2.8
155.01834	8.7
161.01207	6.2
161.02945	13.2
167.01913	4.5
173.02953	10.6
183.05176	3.3
185.02953	9.9
187.04478	6.8
195.01306	14.1
197.02878	21.1
199.04396	6.1
203.03963	5.6
209.02963	2.8
211.04414	4.6
213.00650	9.1
213.02432	28.3
215.04010	6.5
219.01703	3.2
219.05048	3.4
221.02946	7.3
221.04951	4.0
223.00916	4.7
223.04442	5.5
231.01479	6.7
231.03493	13.1
236.04382	2.8
237.02464	38.8
237.06064	4.6
239.04179	5.8
245.05153	3.4
249.02522	10.7
250.09329	35.1
251.03940	4.5
255.03484	47.5
261.02448	6.9
263.03931	7.7
267.03436	20.0
269.05066	4.1
273.02283	3.6
273.04849	3.9
279.03525	17.3
281.05130	20.3
288.39859	3.0
291.03552	15.5
297.04453	18.5
298.09650	5.0
309.04495	4.1
321.04480	8.6
339.05585	100.0
340.05719	10.7
357.06631	71.7
358.06897	7.1
375.07678	4.7
380.08020	8.6
393.08600	23.8
399.07339	14.7
399.12622	15.1
416.10138	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	399.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03374	2.7
56.05022	4.6
56.96557	72.5
57.07057	4.4
69.03414	7.1
69.75809	21.2
70.06571	6.5
71.08610	6.7
72.71694	3.3
83.77825	2.8
84.96028	20.1
85.02885	17.4
85.10163	2.9
97.02872	26.2
98.97572	100.0
101.00848	3.8
102.05508	9.5
110.07155	5.6
110.97535	14.6
111.04410	3.0
112.99135	4.6
113.58226	2.6
116.07076	4.0
116.98609	90.0
119.01877	7.2
127.03838	3.1
128.98602	34.8
129.05464	6.4
131.00146	7.3
131.01871	5.6
134.99629	57.3
136.06160	31.8
137.02975	3.9
140.00136	5.6
143.00177	18.9
144.98083	3.6
145.03363	5.2
146.99644	29.4
147.06494	7.7
149.01195	8.8
153.00699	7.1
155.01921	3.9
158.01245	3.4
158.99652	16.7
161.01192	40.5
161.02634	4.4
163.04030	5.5
165.00699	5.0
165.97968	2.9
169.01677	6.6
170.99631	5.8
173.02881	4.7
176.98634	3.4
177.00688	23.1
179.02292	15.3
187.02768	8.2
189.00645	10.5
189.08575	3.3
194.99644	9.1
195.01608	9.5
197.02962	10.4
201.00706	16.4
207.01672	4.2
213.00682	91.0
213.02426	9.3
219.01746	54.3
229.11917	2.9
231.01703	69.7
237.02756	92.1
242.03447	4.5
247.78433	3.0
249.02615	5.5
250.09355	22.1
251.03902	4.8
254.03358	3.2
255.01247	4.0
255.03746	24.0
260.04388	6.0
261.02634	5.8
263.03928	3.6
267.03531	6.1
279.03619	9.0
281.05154	5.7
291.01715	13.4
297.04480	9.1
309.02863	4.1
321.03140	6.2
339.04962	20.1
357.04816	44.1
375.05786	7.5
380.07065	5.6
393.08862	15.9
394.09024	3.5
399.05923	66.6
399.12012	5.0
400.06552	5.3
417.07028	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	398.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95472	0.3
55.01870	0.4
55.05495	1.0
56.05033	2.1
58.06567	0.5
60.08157	17.4
67.05492	1.5
67.54277	0.3
69.03395	0.5
69.07053	1.1
69.73861	1.7
69.74299	1.3
70.06576	1.6
71.07364	13.1
72.08151	0.5
79.05491	0.9
81.07054	3.1
84.08127	0.6
85.02896	0.4
86.09694	79.3
87.10030	0.5
91.05441	0.6
93.07040	0.9
95.08582	4.2
97.02890	0.5
97.06472	0.5
98.20766	0.7
98.98454	10.0
104.10728	10.3
109.02828	0.4
119.08560	0.4
121.02812	1.1
124.99985	70.2
133.10155	0.4
136.06143	0.4
136.16370	0.4
143.01030	1.3
145.02908	0.4
151.14830	0.5
156.13893	0.9
161.13173	0.7
165.01785	1.4
166.02220	0.8
179.14337	0.6
183.02902	0.8
184.07320	28.2
193.45605	0.4
238.05338	1.2
244.03062	0.4
250.09242	0.4
263.93967	0.4
268.06741	0.6
271.05640	0.6
272.06458	0.5
279.13403	1.5
280.06882	0.5
283.05969	3.1
284.06302	10.7
285.06726	1.1
296.06488	0.5
298.07999	0.5
306.08304	0.6
309.07285	0.9
310.04437	0.5
310.07819	1.0
322.07925	1.0
323.09091	0.5
324.05731	0.6
324.09393	4.2
334.08264	0.6
336.22891	1.5
338.20859	0.8
350.07382	2.7
352.08939	1.2
362.07410	0.9
362.20831	0.9
368.08533	0.9
374.93512	0.4
374.98007	1.8
380.08359	2.7
380.21890	1.2
388.95752	0.6
392.99011	1.2
398.09509	4.6
398.22971	100.0
399.23410	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.4
55.05500	8.4
57.03415	9.2
57.07063	13.3
59.04989	5.6
67.05492	7.6
69.03413	9.3
69.07066	5.1
70.06592	20.5
70.52968	10.6
71.04987	5.3
71.08620	50.5
72.08142	7.9
79.05470	7.8
81.03400	3.8
81.07036	10.1
84.04500	5.6
84.08132	8.9
85.02895	23.3
85.06541	8.5
86.09691	11.5
87.04476	3.6
91.05465	7.4
93.07023	6.2
95.04942	3.2
95.08589	6.7
96.08131	3.3
97.02892	17.0
98.06026	9.6
99.08086	51.8
103.05434	3.7
105.03362	3.1
105.07014	8.1
107.08588	3.8
109.06573	2.9
109.10138	5.1
110.07146	3.7
112.07584	3.7
112.11300	4.0
113.02389	3.4
114.09127	4.0
117.09112	5.9
120.08065	4.5
121.06492	3.6
121.10129	3.3
123.04321	3.5
127.03934	4.0
127.08627	3.2
129.10254	4.4
131.03380	4.4
131.04929	4.1
133.06528	7.1
133.10104	4.5
136.06149	5.7
137.05957	4.9
142.12247	43.9
145.04988	4.1
149.05934	3.8
151.03912	3.9
156.13826	10.7
156.94630	2.8
161.05975	11.6
167.07051	8.3
173.11717	100.0
174.11993	3.6
182.04994	5.1
191.06853	3.2
191.12791	36.8
193.08578	3.7
201.11220	3.3
220.93796	3.1
226.17995	26.8
241.04897	2.9
250.09323	4.8
257.04489	6.1
266.10690	4.3
278.03610	3.0
285.03864	11.2
297.03943	4.4
303.04987	4.8
329.02737	4.0
345.15756	3.2
398.29388	6.3
398.33856	71.8
399.10736	24.4
399.19894	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31590	6.3
51.80875	6.2
57.03430	17.8
69.03421	74.5
69.07063	36.1
70.06567	24.4
71.70026	12.4
71.90317	7.1
72.08134	11.3
73.02907	9.0
78.12962	8.0
81.03395	11.6
85.02888	72.4
86.09690	11.0
87.04465	50.4
89.66861	7.1
97.02891	60.5
99.42093	7.6
105.35779	6.5
109.02895	7.2
111.08054	13.9
115.03915	75.6
119.08563	11.1
124.30076	7.7
127.03899	10.2
128.10709	18.5
133.04936	100.0
145.04927	28.8
150.07701	8.5
163.06010	15.0
234.35289	8.7
237.11200	14.3
273.03925	15.9
285.03851	22.2
314.06708	14.3
380.29056	13.6
398.30075	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.05504	13.9
57.07067	18.9
65.03913	1.7
67.05495	33.7
69.06689	1.9
69.07059	33.7
71.08617	17.9
71.62947	3.3
79.05478	17.9
81.07039	62.5
83.08609	19.3
85.10174	14.3
87.28022	1.4
91.05457	17.7
93.07032	28.2
95.08588	61.3
95.09203	3.2
97.10155	14.5
105.07010	35.0
107.07906	2.5
107.08578	28.1
107.50653	1.8
109.10137	46.7
111.11697	10.0
117.07015	2.8
119.08560	29.1
121.10126	20.7
123.11688	17.2
125.13232	3.5
127.88242	1.5
131.08530	3.5
133.10109	25.8
135.11671	40.7
137.13240	4.8
139.14789	1.7
145.10129	6.8
147.11665	65.2
148.11861	1.6
149.13235	22.1
151.14809	3.6
159.11688	7.1
161.13231	55.4
161.14539	2.9
163.14761	8.9
165.16389	2.3
170.50648	1.4
172.57054	1.5
173.13235	5.8
175.14803	24.9
177.16417	4.8
179.17838	1.5
185.13239	1.9
187.14771	4.4
189.16310	11.5
191.17964	1.6
201.16359	6.5
203.17886	10.8
215.17885	11.6
217.19530	3.5
229.19551	5.3
233.22627	2.3
243.21123	9.7
257.22620	7.9
261.25824	3.3
275.27322	2.1
287.27277	4.2
299.27084	2.2
301.28824	2.7
315.30450	3.9
397.38254	100.0
398.38602	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	397.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.00393	1.5
55.05502	13.5
57.06842	1.8
57.07067	18.5
59.12912	1.7
60.54017	1.7
65.95323	2.1
67.05487	26.3
69.07058	32.0
69.36533	2.2
69.36858	20.1
71.08289	2.1
71.08619	20.8
73.21832	1.6
74.65294	1.8
79.05479	15.3
81.07042	66.1
83.08606	19.2
85.10170	14.7
91.05464	17.1
93.07029	30.6
95.08591	56.2
97.10149	13.3
105.07010	36.4
107.08572	30.3
109.10134	48.4
111.11684	9.3
117.06987	1.7
119.08559	26.5
121.10106	20.9
123.11700	15.1
125.13248	3.6
131.08548	3.8
133.10107	24.4
135.11673	39.7
137.13249	6.0
145.10095	7.1
147.11667	69.0
149.13222	19.9
151.14786	5.1
159.11682	4.9
161.13234	50.5
162.13564	2.4
163.14804	10.0
165.16306	2.6
173.13245	3.0
175.14798	22.9
177.16348	3.2
179.17931	2.3
182.84976	1.6
187.14781	4.9
189.16342	13.6
201.16385	6.6
203.17897	8.8
215.17949	12.9
217.19443	5.4
229.19467	5.7
233.22758	2.1
243.21066	9.9
247.24178	1.9
257.22577	9.4
261.25830	5.3
276.49545	1.6
287.27353	5.0
289.28796	2.2
301.28851	4.2
304.04138	1.6
315.30466	5.7
334.43921	2.2
334.64755	1.7
397.38242	100.0
398.38602	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	397.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50251	0.5
55.05499	1.9
58.06599	3.9
60.04496	0.6
62.96589	0.6
67.05490	1.4
69.03428	0.9
69.07056	10.3
69.49152	5.5
70.06579	4.3
71.04970	0.7
71.08614	6.6
72.08144	7.7
73.06542	1.3
76.29528	0.6
76.86188	0.6
77.61911	0.8
77.70181	0.6
79.05478	1.6
81.07053	1.6
82.84499	0.6
83.08624	0.8
84.04482	1.3
84.08141	4.3
85.02890	1.1
86.09687	2.0
88.92433	0.6
91.05466	1.3
93.07031	2.3
95.04966	0.8
95.08575	1.5
97.02860	0.6
97.06534	2.5
98.06042	1.5
98.09694	1.2
99.08076	11.6
99.09080	0.7
105.07010	0.8
107.08580	0.9
108.08092	1.8
110.07126	0.7
110.09664	5.2
111.09204	1.0
112.11231	2.5
115.07554	4.3
119.08566	0.6
121.10132	0.7
124.07478	0.6
126.09137	2.0
128.10748	0.9
129.10287	0.7
133.10101	0.8
136.07570	1.8
137.05971	1.4
138.09122	2.2
147.11768	0.7
154.08647	1.6
154.12286	2.3
155.11806	0.7
156.10223	4.3
156.13815	45.8
162.04135	1.0
163.07549	0.6
163.11137	0.7
164.07021	0.7
168.13824	1.2
170.15428	1.8
172.13312	14.8
186.14909	3.9
195.14903	25.2
201.39566	0.6
211.14395	8.7
217.15924	1.0
225.16013	1.4
266.22275	2.4
278.12402	0.9
282.21814	2.6
283.24710	0.7
356.29135	1.8
379.30771	2.1
380.29099	1.5
392.11572	0.6
397.31735	100.0
398.32202	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	397.3095
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03924	2.4
55.01864	1.7
55.05500	12.7
56.96544	2.2
57.03408	1.5
57.07049	2.2
62.20139	1.1
67.05498	21.8
69.07066	10.8
69.81516	5.9
69.81944	4.4
71.04983	2.6
77.03935	1.5
77.73248	1.2
78.83256	1.4
79.05482	15.6
81.03426	1.7
81.07044	33.9
83.08582	5.9
84.87386	1.5
85.06547	13.0
91.05459	18.4
93.07027	34.9
95.04980	2.8
95.08008	3.1
95.08590	46.4
97.06495	2.7
97.10124	2.6
103.05424	1.4
105.07014	43.4
107.08585	34.6
109.06496	2.3
109.10124	15.8
111.08051	4.2
117.06995	5.2
119.08559	61.5
121.10126	18.0
123.08052	2.2
123.11664	5.0
125.09612	2.3
128.06168	1.4
129.06950	2.8
130.07753	3.7
131.08546	18.4
133.09169	2.7
133.10110	31.8
135.11668	9.8
138.51677	1.2
141.07027	1.8
141.48674	1.4
142.07739	4.3
143.08514	11.5
145.08971	2.2
145.10094	36.4
147.11650	26.4
147.12737	2.6
149.13234	10.3
155.08534	4.8
156.09315	5.9
156.77052	1.7
157.10095	21.1
158.10800	1.7
159.11656	24.9
161.13249	16.3
163.14810	8.6
165.12718	2.6
169.10114	6.8
170.10857	5.8
171.11623	14.0
172.12488	1.9
173.13202	12.1
175.14809	28.3
177.12756	1.9
181.10144	1.6
183.11642	5.5
184.12427	7.2
185.13226	11.5
187.13531	1.4
187.14784	29.5
189.16351	4.8
191.14252	4.5
193.15933	1.9
195.11693	2.7
197.13287	6.9
199.14792	54.7
200.15254	2.5
201.16360	50.0
202.16624	2.5
205.15862	2.4
208.12233	1.5
209.13217	2.4
211.14787	4.2
213.16290	13.0
215.17886	2.9
217.13995	2.4
217.15878	29.8
219.17372	3.9
223.14799	2.4
225.16325	4.1
227.17839	4.2
231.17325	1.8
235.16873	5.0
237.16391	2.3
239.17883	5.8
241.19360	2.0
251.17975	2.5
253.19484	2.8
279.21078	2.8
361.28867	7.1
379.29907	100.0
380.30188	7.0
397.20187	2.1
397.26105	2.6
397.30939	38.4
398.31015	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	397.2731
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	1.3
55.05483	3.5
60.76025	1.2
65.03901	1.7
67.05493	10.5
69.07042	3.5
71.71589	1.7
72.04486	1.5
79.05480	20.0
81.07042	100.0
83.04970	1.4
83.08606	2.9
85.06509	2.2
91.05455	15.2
92.05684	1.3
93.07028	12.4
95.04901	3.7
95.08598	13.8
105.07014	14.7
105.39303	1.3
107.07908	1.7
107.08569	17.0
109.06503	46.0
109.10137	9.7
117.06956	4.4
119.07865	1.4
119.08567	17.6
121.06454	1.8
121.10115	10.6
123.07996	4.2
123.11641	5.4
130.07764	1.6
131.08546	6.5
133.10106	13.8
135.08041	11.6
135.11646	6.2
137.09610	1.5
143.08504	4.0
144.09181	1.1
145.10120	8.7
146.66470	1.2
147.11627	9.3
149.09543	5.1
149.13179	3.5
151.11119	2.2
157.10046	5.3
159.11665	11.8
161.09518	2.3
161.13176	3.1
163.11119	3.2
165.12700	1.9
169.10030	1.5
171.11594	4.2
173.13220	7.4
175.11205	2.1
175.14758	3.2
177.12679	4.6
179.10570	2.1
183.11578	1.7
185.13123	5.1
187.14781	7.1
189.12665	2.8
189.16316	4.6
191.14211	1.7
193.12086	1.4
195.13721	1.4
197.13203	2.5
199.14792	1.9
201.12749	1.8
201.16304	6.4
203.14264	2.8
203.17905	1.7
205.15817	2.4
209.13165	1.8
213.16267	3.6
215.17818	2.5
219.17201	1.3
221.15253	1.6
222.14845	1.7
225.16315	1.5
227.14278	1.9
227.17844	3.5
229.19398	2.2
231.17339	2.9
245.18962	3.0
259.20624	2.0
271.20474	6.7
279.17145	1.3
289.21655	9.6
309.22006	1.3
335.23587	2.3
337.25107	1.5
353.24707	1.8
379.26337	9.9
390.96902	1.1
397.27084	63.8
397.30905	5.4
398.27335	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	397.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34475	1.4
53.03928	4.5
55.01862	13.8
55.05503	64.9
57.03424	15.1
57.07058	2.1
59.04980	2.6
60.62207	1.7
62.75758	1.8
65.03923	2.6
67.05141	3.2
67.05495	63.6
69.03417	8.4
69.03747	1.6
69.07056	17.7
69.89777	3.8
69.90186	7.5
70.06567	4.3
71.04982	23.0
73.04758	1.6
79.05484	56.1
81.03408	9.0
81.07045	71.4
83.04971	19.5
83.08611	32.0
85.02883	6.1
85.06536	3.1
91.05461	19.9
93.07034	32.1
95.04974	12.3
95.08593	16.4
97.02869	1.8
97.06506	5.6
97.10157	59.9
99.04420	3.2
99.08087	2.2
103.05445	2.4
105.07008	19.8
107.04932	7.5
107.08584	31.6
109.06480	6.8
109.10123	15.5
111.04423	25.6
111.08067	8.7
113.09639	3.5
117.06994	7.7
119.08577	16.6
121.06481	7.2
121.10133	9.7
121.11237	1.4
123.08050	36.2
123.11691	2.8
125.05965	2.1
125.09606	65.8
127.03816	1.4
129.06981	5.0
131.08556	7.4
133.06438	2.3
133.10104	7.4
135.08073	14.0
135.11690	8.7
137.09595	30.7
143.08571	4.5
143.10667	3.2
145.10143	10.1
147.08017	9.4
147.11674	5.0
149.09567	4.5
153.09055	11.7
153.12708	5.2
157.10075	2.4
159.11618	3.2
161.09624	3.6
163.03926	3.8
163.11153	8.1
165.09088	7.5
165.12856	1.8
171.10175	7.7
171.11594	3.5
173.09622	1.7
175.11122	2.3
181.12297	8.8
189.11188	100.0
191.10698	5.8
193.12227	2.2
223.13300	3.4
224.06735	1.6
227.12778	16.5
227.17937	2.1
237.16301	2.7
245.18983	2.5
249.14754	2.8
255.17419	2.9
256.37973	1.7
263.20178	3.1
273.18451	21.8
291.19495	41.6
305.20911	3.4
322.66818	1.9
323.22406	1.9
341.64218	1.9
347.22049	2.2
365.23172	3.4
381.91946	1.8
397.12610	2.5
397.25946	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	396.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05491	0.9
55.15114	0.5
56.27890	0.5
58.06609	2.7
67.05483	0.6
69.07060	18.2
70.06573	2.5
70.87662	1.3
72.08143	10.8
73.06539	2.0
74.06063	0.7
79.05467	1.4
80.65039	0.6
81.03399	1.2
84.04491	2.4
84.08116	2.9
86.09707	0.6
96.08132	1.0
97.06509	5.3
98.06027	2.5
98.09692	4.4
108.08116	0.8
110.00927	0.5
110.07093	0.9
112.07557	0.7
112.11243	4.4
115.07551	8.2
120.08074	1.7
126.09133	11.8
127.03912	0.7
129.13867	1.1
136.07526	0.7
137.02319	58.1
138.02617	0.8
140.07042	0.9
146.16574	0.5
151.03842	0.5
154.12250	18.7
166.08583	1.3
168.13812	1.2
171.14890	0.9
172.13297	56.5
173.13708	0.7
186.14867	2.9
189.15987	0.7
190.93010	0.5
194.08104	28.6
195.08501	0.6
208.09653	6.3
243.20679	2.6
260.23318	3.9
265.15417	2.0
282.18146	3.5
312.04880	0.6
378.23782	4.1
379.22647	1.2
396.24860	100.0
397.25250	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	396.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
56.05020	1.9
57.07061	0.6
59.66930	0.3
60.08152	17.0
66.91761	0.3
67.05481	1.3
67.73956	0.3
67.84090	0.3
69.03421	0.4
69.07066	2.0
70.06564	1.2
71.07361	14.1
71.70426	0.6
79.05473	1.3
81.03412	0.4
81.07041	3.1
83.04961	0.4
83.08604	1.5
84.08126	0.5
85.02907	0.4
86.09691	82.1
87.10022	0.8
91.05469	1.2
93.07038	1.4
95.04939	0.7
95.08588	2.9
97.06534	0.8
97.10159	1.2
98.98445	9.5
99.08080	0.4
104.10720	7.8
105.03375	0.4
105.07012	0.8
107.08575	0.9
109.10159	0.6
117.07017	0.5
121.10145	1.4
124.99980	63.3
126.00331	0.3
131.04892	0.8
131.08549	0.4
135.11714	1.2
137.06009	0.4
143.00998	1.5
145.10091	0.4
163.00085	0.3
177.16338	0.8
184.07310	32.8
188.10655	0.6
195.17395	2.7
268.27594	0.4
272.21381	0.3
277.03259	0.3
309.10834	0.4
333.55692	0.4
378.23853	3.0
396.25040	100.0
397.12357	0.4
397.25473	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	395.2787
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
53.03941	1.3
55.01848	1.3
55.05509	6.0
57.03422	2.8
57.07070	5.9
64.64925	0.8
67.05502	9.5
69.03406	0.9
69.07059	6.1
71.04974	1.8
71.08633	5.8
73.24992	0.9
79.05476	5.5
81.06593	1.3
81.07047	11.9
83.04963	1.9
83.08586	3.3
83.44896	0.8
85.02876	1.1
85.06518	3.0
91.05482	5.3
91.09853	0.8
93.07034	9.0
95.04947	2.3
95.08606	13.8
97.06521	1.7
97.10150	1.5
99.08072	3.3
105.07002	6.7
107.08572	7.5
109.06509	16.3
109.10139	5.0
111.08045	2.2
117.06972	1.2
119.08546	6.3
121.06471	1.8
121.10162	4.6
122.07275	2.0
123.08050	26.8
123.11674	1.1
131.08536	3.0
133.10091	2.6
135.08055	7.0
135.11674	2.2
137.09596	3.9
143.08459	2.0
145.10123	4.6
147.11650	1.7
149.09616	1.9
149.13268	1.1
151.11131	1.4
151.14713	1.5
157.10045	1.0
159.11684	2.6
161.09682	1.0
161.13274	1.6
165.12759	1.8
167.14302	2.0
168.06924	0.9
171.11646	1.6
173.13252	1.6
177.12839	1.5
177.16238	0.8
179.14288	88.8
180.14655	1.7
187.14786	1.5
191.14259	1.7
193.15872	2.3
197.13322	1.0
205.15840	7.2
229.57944	0.8
247.16847	1.4
275.23679	1.4
281.10654	1.0
285.22055	2.0
303.23166	43.6
304.23300	2.0
304.26620	0.9
321.24197	11.9
339.21579	1.7
349.16913	1.2
350.94131	0.9
377.26715	2.4
378.93048	0.9
395.27881	100.0
396.28107	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	395.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	19.9
57.07071	28.0
64.30569	3.0
67.05494	29.7
67.27616	3.1
67.51061	3.2
69.07055	37.8
71.08610	17.8
79.05505	17.5
81.07042	71.8
83.08623	16.7
85.10184	12.4
91.05459	30.7
93.07031	21.9
95.08591	38.6
97.10181	12.7
105.07017	47.0
107.08584	21.1
109.10155	15.4
111.11720	6.5
117.07010	19.2
119.08560	16.0
119.68386	4.1
121.10170	9.6
123.11691	6.9
127.85136	3.1
129.06973	4.7
130.07834	3.8
131.08542	25.5
133.10118	31.4
135.11713	6.8
138.03252	3.2
143.08530	8.4
145.10109	55.1
147.11671	26.6
149.13251	5.9
157.10135	13.2
159.11688	47.2
160.12080	3.5
161.13257	9.6
171.11714	8.2
173.13245	14.7
185.13200	5.2
199.14799	5.7
201.16344	4.3
213.16313	5.8
214.03864	3.2
219.75316	3.6
227.18188	3.7
241.19441	8.1
255.20988	4.5
280.30600	3.3
374.66513	3.4
395.36682	100.0
396.37326	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	395.2782
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
50.35191	0.7
50.68514	0.6
53.03941	1.3
55.01847	2.1
55.05498	7.2
57.03404	2.4
57.07048	2.2
60.04496	0.7
60.49517	0.7
67.05491	10.6
69.03397	0.9
69.07052	8.7
71.04989	1.8
71.08640	0.9
75.04436	0.8
79.05479	7.5
81.07045	11.9
83.04959	1.6
83.08608	3.6
85.06518	1.5
91.05463	6.3
93.07032	10.5
95.04945	3.4
95.08586	12.5
97.06492	1.9
97.10154	2.0
105.07010	4.9
107.08570	8.6
109.06494	12.4
109.10160	4.6
111.08048	1.8
113.09592	0.9
117.06985	1.3
119.08549	8.2
121.06444	2.0
121.10124	5.7
123.08047	38.0
123.11707	1.2
131.08565	3.8
133.10107	5.0
133.10970	0.9
135.08034	12.6
135.11678	2.6
137.09596	4.2
143.08461	0.9
145.10101	4.3
147.11662	3.4
149.09605	7.0
149.13152	0.9
151.11157	1.2
157.10162	1.2
159.11652	4.1
161.09521	1.5
161.13213	1.6
163.11163	1.9
163.14796	0.9
165.12816	0.8
167.14275	1.0
173.13260	1.5
175.14775	1.7
177.12743	6.6
179.14270	20.2
183.11723	0.9
185.13156	1.3
187.14830	1.0
191.14258	1.1
199.14969	0.7
201.16415	0.8
203.12881	0.9
205.15825	3.3
235.16850	1.9
247.16876	4.7
249.18521	0.8
274.36258	0.7
275.20328	1.5
275.23630	7.2
285.22018	1.2
303.23138	55.9
304.23474	1.4
321.24280	4.2
339.21744	2.5
349.16898	0.9
377.26865	1.8
384.72098	1.1
395.27866	100.0
396.28104	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	395.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.6
55.01849	9.8
55.05499	32.3
57.03421	20.1
65.03922	5.0
67.05494	72.9
69.03416	22.7
69.07063	26.5
71.04971	9.8
71.71252	4.1
73.02899	3.9
79.05480	56.8
81.03394	49.0
81.07040	100.0
83.04973	24.3
83.08593	21.1
85.02865	7.0
85.06512	4.5
86.06062	15.2
91.05465	46.4
93.07029	69.0
95.04944	22.4
95.08591	35.7
97.02873	38.5
97.06493	12.2
97.07056	2.8
97.10164	4.4
99.04429	8.2
99.08099	3.0
103.03891	4.9
103.05443	4.7
105.04483	2.9
105.07032	30.5
107.04933	10.8
107.08568	38.1
109.02853	19.8
109.06487	7.1
109.10122	10.1
111.04416	8.8
111.08059	7.7
117.06991	22.7
119.04874	3.8
119.08551	14.4
121.06461	8.8
121.10147	16.7
123.04417	6.3
123.08058	3.9
123.11658	9.1
125.02270	2.6
127.03922	16.4
128.06204	3.3
129.06978	8.7
130.07768	3.2
131.04892	18.4
131.08551	24.0
133.06474	13.6
133.10097	21.1
134.08098	2.6
135.07973	3.8
135.11696	13.8
137.05951	3.1
141.06979	5.3
143.08521	10.0
145.06430	8.1
145.10077	12.7
147.04385	3.9
147.07986	8.0
147.11642	11.5
149.05984	3.7
149.09573	3.7
149.13243	21.7
151.07452	5.8
151.11060	3.4
155.08527	6.0
157.06415	3.1
157.10098	5.1
159.08023	8.3
159.11647	18.6
161.05966	4.3
161.09697	3.7
163.07600	3.4
163.11168	5.6
165.05478	3.0
169.10107	5.1
173.05981	4.3
173.09557	5.1
173.13283	3.4
176.10707	2.7
177.12625	5.1
180.62195	2.4
183.06468	10.3
183.07957	3.6
185.13205	2.9
187.11107	4.7
191.10704	3.6
195.13754	21.1
197.09792	3.3
201.07561	4.0
219.31230	2.6
233.11650	2.7
233.15276	4.8
243.13730	3.1
247.17041	4.9
249.14568	3.1
257.15259	6.6
261.14832	5.8
269.17416	65.3
275.16312	8.2
285.14795	8.9
297.16846	4.6
303.15768	18.5
321.16821	7.1
377.19507	16.7
395.15927	4.4
395.20444	33.2
396.20984	3.3
396.26898	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	395.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.6
55.01849	9.8
55.05499	32.3
57.03421	20.1
65.03922	5.0
67.05494	72.9
69.03416	22.7
69.07063	26.5
71.04971	9.8
71.71252	4.1
73.02899	3.9
79.05480	56.8
81.03394	49.0
81.07040	100.0
83.04973	24.3
83.08593	21.1
85.02865	7.0
85.06512	4.5
86.06062	15.2
91.05465	46.4
93.07029	69.0
95.04944	22.4
95.08591	35.7
97.02873	38.5
97.06493	12.2
97.07056	2.8
97.10164	4.4
99.04429	8.2
99.08099	3.0
103.03891	4.9
103.05443	4.7
105.04483	2.9
105.07032	30.5
107.04933	10.8
107.08568	38.1
109.02853	19.8
109.06487	7.1
109.10122	10.1
111.04416	8.8
111.08059	7.7
117.06991	22.7
119.04874	3.8
119.08551	14.4
121.06461	8.8
121.10147	16.7
123.04417	6.3
123.08058	3.9
123.11658	9.1
125.02270	2.6
127.03922	16.4
128.06204	3.3
129.06978	8.7
130.07768	3.2
131.04892	18.4
131.08551	24.0
133.06474	13.6
133.10097	21.1
134.08098	2.6
135.07973	3.8
135.11696	13.8
137.05951	3.1
141.06979	5.3
143.08521	10.0
145.06430	8.1
145.10077	12.7
147.04385	3.9
147.07986	8.0
147.11642	11.5
149.05984	3.7
149.09573	3.7
149.13243	21.7
151.07452	5.8
151.11060	3.4
155.08527	6.0
157.06415	3.1
157.10098	5.1
159.08023	8.3
159.11647	18.6
161.05966	4.3
161.09697	3.7
163.07600	3.4
163.11168	5.6
165.05478	3.0
169.10107	5.1
173.05981	4.3
173.09557	5.1
173.13283	3.4
176.10707	2.7
177.12625	5.1
180.62195	2.4
183.06468	10.3
183.07957	3.6
185.13205	2.9
187.11107	4.7
191.10704	3.6
195.13754	21.1
197.09792	3.3
201.07561	4.0
219.31230	2.6
233.11650	2.7
233.15276	4.8
243.13730	3.1
247.17041	4.9
249.14568	3.1
257.15259	6.6
261.14832	5.8
269.17416	65.3
275.16312	8.2
285.14795	8.9
297.16846	4.6
303.15768	18.5
321.16821	7.1
377.19507	16.7
395.15927	4.4
395.20444	33.2
396.20984	3.3
396.26898	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	395.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01867	7.2
55.05510	8.1
57.03418	8.8
61.02908	7.9
67.05502	17.4
68.99773	15.2
69.03423	21.4
69.07051	3.3
70.06589	7.0
71.70387	7.0
73.02906	6.8
74.07710	3.9
79.05487	11.6
81.03398	23.2
81.07040	14.6
83.04965	7.9
84.08125	3.9
85.02891	46.8
87.00809	22.4
91.05475	13.9
93.07021	16.9
95.04935	7.2
95.08591	9.0
97.02867	11.2
99.04432	7.4
100.87724	4.0
103.03954	15.6
103.05456	13.8
105.01854	6.1
105.07018	11.7
107.08581	8.0
109.02859	6.3
109.06478	7.1
115.05424	19.3
116.06202	4.2
117.07008	24.6
119.08549	10.3
121.06478	6.6
121.10119	3.8
123.04406	8.5
124.27191	3.1
125.06008	3.5
127.03915	4.2
128.06209	10.5
129.01842	10.7
129.06992	34.6
131.04915	30.2
131.08592	11.7
133.06444	5.7
133.10046	7.5
137.05954	40.4
141.06996	13.6
142.07692	4.2
143.04890	6.2
143.08556	5.8
144.05707	17.7
145.06430	31.8
145.10100	13.0
147.02892	7.8
147.04239	4.2
147.08046	5.2
150.77119	3.3
151.07533	8.8
152.06218	9.7
153.06970	10.5
155.08519	4.8
157.06453	23.9
157.10069	5.8
158.07274	7.8
159.08031	8.8
159.11676	3.5
160.05241	24.5
161.05946	10.8
162.06837	3.9
163.07529	11.8
163.11119	8.2
165.06917	3.9
167.08537	13.5
169.06471	11.2
170.07271	5.1
171.04314	4.4
171.08070	10.0
172.05200	9.8
173.09592	4.1
174.06743	14.9
175.07520	100.0
177.05548	6.4
177.09076	46.7
181.06529	10.5
183.08064	6.6
185.05946	4.7
185.09581	7.1
186.06757	7.7
187.07532	92.3
187.11171	6.5
189.03867	4.8
189.09073	58.3
189.10725	4.0
191.07019	8.2
191.10649	10.8
193.08588	4.0
194.07295	3.9
195.08015	25.5
197.05978	6.3
199.07596	12.8
200.08113	4.4
201.09100	39.9
203.07014	4.4
203.10626	9.5
205.08577	3.4
205.15868	4.0
211.07541	8.1
212.08307	5.0
213.09114	27.1
214.06270	4.6
214.09435	3.8
215.07047	3.9
215.10646	10.3
216.07857	6.1
217.08627	8.4
219.10184	5.9
223.07501	9.3
225.09009	5.4
227.10631	44.4
229.08556	10.0
231.10054	18.4
237.09135	10.0
241.08528	3.7
243.10060	4.4
245.11719	9.4
255.10147	47.9
270.67960	4.0
273.11206	31.5
291.12170	11.3
299.05453	4.6
377.12555	3.3
380.06256	4.0
395.25281	10.4
395.33936	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	8.5
56.96562	39.6
57.03420	9.4
58.99843	5.2
61.02884	4.8
61.83557	4.7
69.03430	9.3
69.75221	33.2
70.98096	17.5
71.04953	5.6
73.02902	12.2
77.00896	5.2
83.01310	6.3
85.01408	4.4
85.02892	9.9
88.99165	20.0
91.02497	4.3
91.03894	4.0
97.02856	9.3
98.21533	4.9
98.97553	30.7
101.00886	17.9
101.02378	6.0
102.96835	4.8
103.02435	21.7
105.00356	5.6
107.00205	5.8
109.00640	3.8
110.97549	6.7
115.02436	13.0
115.03932	15.9
116.98581	24.5
119.01906	58.3
121.01674	10.3
121.03475	12.2
128.98622	17.9
129.01840	5.6
129.03928	6.0
131.00211	5.9
131.01913	45.6
133.03442	57.7
135.03224	6.0
137.02946	10.5
143.01843	22.5
143.03392	7.4
144.99838	5.9
145.03452	45.8
146.03534	4.5
146.99609	41.7
147.01384	13.4
147.05025	17.3
149.02943	30.0
151.04527	7.8
155.01875	20.5
157.01340	12.5
157.03464	8.6
158.99672	13.0
159.05026	13.7
161.02951	34.4
161.04250	5.1
162.06340	4.2
163.02702	6.7
163.04533	18.8
165.00725	32.3
167.04013	4.7
169.03453	12.8
170.99898	6.0
171.01382	18.1
171.05064	12.3
172.99313	9.8
173.01408	6.5
173.02921	44.3
174.99132	7.0
175.00851	5.4
175.04520	14.1
177.00815	6.0
177.02365	6.4
185.02921	8.7
186.99261	5.6
187.00876	7.2
187.04474	36.7
189.00690	28.1
189.02408	21.1
189.03798	21.7
189.06088	17.3
190.98601	13.7
191.00325	9.7
191.02382	6.0
191.03947	25.2
193.00136	11.3
193.01848	10.0
199.00867	40.5
199.04338	8.8
201.02452	9.8
201.06004	6.2
203.04044	19.7
205.01880	5.8
207.01767	22.5
207.03493	10.0
210.81555	4.4
211.98045	4.5
213.02470	9.4
215.00415	4.5
217.00171	7.5
217.01917	35.7
217.05556	7.4
219.01682	5.9
221.05035	19.7
224.98831	7.0
225.02614	6.8
229.05629	4.5
230.03636	4.8
231.03534	22.0
233.05008	6.1
235.02916	10.4
237.02740	7.8
242.99825	37.3
245.01498	8.1
249.02727	14.6
249.04820	6.3
259.03070	6.2
261.04828	4.6
261.08234	13.8
263.00479	7.3
263.05978	5.8
267.04016	7.2
270.99454	6.3
272.13718	4.6
275.02420	23.5
275.06122	12.0
276.04065	6.8
279.09167	18.8
281.01657	5.4
285.00836	7.0
287.02411	16.6
289.00449	5.9
289.07852	10.6
291.05789	4.1
291.09149	17.5
295.06961	4.3
297.06744	6.1
301.04144	6.4
303.02069	100.0
304.01974	5.4
307.04361	4.2
309.10684	6.5
314.32458	4.2
319.04871	6.2
321.01318	7.7
329.04105	4.2
333.06931	6.0
345.03040	6.0
359.05429	6.5
363.03348	4.7
377.05530	11.2
395.06104	10.9
395.10538	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	394.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.94522	0.3
58.06589	2.4
67.05496	0.7
69.91287	2.0
70.06577	0.7
71.08620	9.3
71.45902	0.3
72.08147	7.4
80.09599	0.3
84.08126	1.4
85.02856	0.5
86.09685	1.1
88.03979	0.4
91.05441	0.6
95.04945	0.5
98.21413	0.4
98.30612	0.3
99.08081	16.0
106.42845	0.3
108.02080	0.9
112.11207	3.1
120.08092	4.6
121.08405	0.5
128.10686	2.0
129.13870	0.8
130.06519	1.3
136.01556	0.5
137.05894	0.5
141.05453	1.6
151.03883	88.4
151.04889	4.0
152.04213	1.3
155.15428	1.9
156.13814	82.5
157.14159	1.6
159.32611	0.3
170.15390	2.4
172.07535	0.4
173.16463	0.4
175.08664	0.8
190.08603	0.5
208.09662	28.0
222.11208	8.0
223.11671	0.3
226.22795	0.4
227.21201	2.6
235.10716	4.0
240.65210	0.4
244.23807	2.8
263.10196	0.5
279.17087	1.0
296.19611	0.8
319.22992	0.4
376.25854	1.5
377.24521	0.8
393.36917	0.3
394.26947	100.0
395.15521	0.4
395.27234	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	395.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24247	2.7
56.96548	2.9
57.03417	5.0
58.99859	4.9
61.02914	4.5
69.03419	8.1
71.29665	3.5
71.29987	5.4
74.85571	3.2
77.00879	4.0
78.02385	3.0
80.21984	2.6
82.99849	3.2
85.02883	10.6
88.97530	2.3
98.97594	6.9
101.00877	23.5
103.02421	7.8
103.03908	4.2
113.00848	7.9
116.98610	3.1
117.03972	8.0
119.01906	67.9
120.01968	7.5
121.01593	3.5
127.02398	7.5
127.03934	5.1
131.00970	4.1
131.01895	54.1
132.02068	2.9
133.03435	8.0
135.05008	5.0
137.02965	10.5
142.03485	4.2
143.01891	19.6
144.99722	4.1
145.03453	63.9
146.99576	3.5
147.01404	6.1
147.04987	4.5
149.02881	9.3
155.01888	10.4
155.71927	2.6
157.03482	6.9
159.05028	22.3
161.02940	33.0
163.04503	22.2
169.03436	43.4
171.01385	9.3
171.04985	18.0
172.99239	3.4
173.02956	27.6
174.03098	3.2
176.57382	3.0
177.06036	3.7
181.03429	10.3
183.01457	3.2
185.02997	17.0
187.00946	4.2
187.04501	94.2
188.04630	4.2
189.00795	4.7
189.02351	18.9
189.06084	5.6
191.03970	6.0
197.02898	4.8
199.00841	7.3
199.04486	35.4
201.02467	4.1
203.03967	10.3
205.00198	3.7
207.03485	4.4
210.06129	4.0
213.02332	14.8
215.03903	6.0
217.01897	5.5
217.05518	6.8
221.05080	3.7
223.00839	3.3
225.02357	8.2
229.05594	5.3
231.03506	35.0
242.99858	7.2
243.03540	11.7
245.05092	8.0
246.05293	5.4
247.04955	3.3
254.04411	3.9
257.01364	8.9
257.04117	3.2
266.04700	4.4
273.03885	14.4
274.04312	4.1
275.02475	100.0
275.05527	4.7
276.02664	6.0
287.02396	60.8
288.02502	4.0
289.07761	6.2
293.03470	36.9
303.01971	22.8
303.04898	5.1
304.05112	3.0
305.03448	20.1
311.04883	3.9
323.04962	4.5
335.04657	4.1
359.04401	7.1
361.04099	2.8
363.03851	3.7
377.05667	9.9
395.05960	3.4
411.97342	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	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43870	1.6
52.01451	1.6
53.03926	4.5
53.36533	1.5
55.01850	6.0
55.05490	8.6
57.03416	6.4
61.02903	6.7
61.03222	1.7
67.05482	5.9
68.37674	1.7
68.99761	1.7
69.03418	34.4
69.07056	45.8
69.58971	5.6
69.59397	8.6
69.71774	1.8
70.06585	2.3
71.01354	2.2
71.04992	4.0
72.08150	1.8
73.02891	6.9
73.53181	1.8
79.05463	2.4
81.03395	19.7
81.07053	8.0
83.04948	2.3
84.08132	2.2
85.02890	100.0
87.00816	36.8
87.04464	2.5
91.05470	4.3
93.07030	4.7
95.08582	7.3
97.02877	37.3
99.04446	8.8
101.88278	1.6
105.01849	89.3
105.07027	1.8
107.08589	3.7
108.04427	2.3
109.02864	20.8
109.06502	2.7
111.11683	4.6
119.08547	2.7
120.08076	6.1
121.06469	1.8
121.10153	2.3
123.08050	2.2
127.03898	74.5
129.01797	2.5
133.10100	2.9
135.11574	2.0
137.13271	4.2
144.73935	1.8
145.04936	38.7
145.10126	3.3
147.02811	1.7
159.02863	11.9
159.09146	9.6
161.13382	3.8
163.11095	1.7
166.08646	3.7
179.14244	6.6
187.08591	3.0
189.03891	5.3
197.15283	2.2
201.10184	5.3
208.16814	2.1
229.09732	3.5
231.04936	24.4
248.07819	2.6
249.05933	8.2
358.34866	1.6
394.24771	2.4
394.34412	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72298	3.7
53.03919	7.2
55.05502	21.8
57.07047	13.6
57.09443	3.8
59.79366	3.7
62.76157	3.8
67.05486	41.6
69.07058	33.2
69.72086	4.4
69.72421	33.1
78.48389	3.9
79.05477	45.2
80.62374	4.5
81.07045	62.8
83.04952	8.2
83.08605	12.1
85.06512	7.9
91.05464	57.5
93.07030	85.0
95.04959	48.4
95.08595	53.4
97.06504	9.9
97.10168	5.3
101.09619	9.6
103.05442	5.7
105.04430	5.7
105.07011	100.0
107.08580	56.3
109.06490	20.3
109.10143	23.0
111.57814	4.5
112.99998	48.7
115.05392	6.0
117.06989	21.9
119.08563	88.5
121.06503	15.1
121.10133	35.8
123.08027	16.6
123.11649	12.0
126.41821	4.3
128.06187	9.6
129.06992	19.6
131.08537	41.7
133.10100	50.7
135.08018	40.2
135.11702	22.1
137.09557	5.2
139.07579	4.8
141.06958	10.9
142.07738	23.2
143.08563	32.7
144.09300	9.5
145.10117	57.6
147.11655	23.5
149.09528	7.9
149.13254	7.8
149.66092	4.3
155.00999	5.1
155.08617	10.1
156.09322	12.6
157.10114	47.7
158.10904	4.6
159.08194	8.9
159.11694	44.1
161.09567	15.9
161.13206	8.7
165.09077	12.7
169.10083	28.0
171.11668	27.3
173.09654	4.8
173.13277	22.8
175.11131	17.6
175.14803	16.6
177.12741	14.9
179.08423	7.7
181.10059	9.9
182.10942	7.3
183.11659	20.5
185.13290	13.1
187.11095	6.8
187.14854	11.7
191.14264	6.9
192.09267	5.5
192.38124	4.3
197.13217	13.5
199.14836	10.9
201.16412	7.1
206.10921	5.5
209.13216	12.0
211.14804	10.8
221.13132	5.6
223.14691	5.7
225.16470	4.3
253.15744	4.7
265.19461	6.4
333.87775	4.2
361.27319	98.9
375.26630	4.8
377.26987	4.6
393.27774	18.5
408.62384	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23178	2.6
53.03934	7.6
55.05502	23.9
57.07061	8.8
57.10743	2.2
62.57343	2.0
65.03913	5.7
67.05492	36.9
69.03432	4.2
69.07053	25.7
71.08627	5.0
79.05477	34.2
80.06274	2.5
81.03406	2.7
81.07040	65.8
83.04963	6.5
83.08618	8.1
85.06522	2.2
91.05463	68.4
93.07027	89.7
95.04950	53.4
95.08593	61.6
97.06522	13.8
98.98463	9.1
103.05449	3.9
105.04583	2.6
105.07011	92.3
107.08573	65.6
109.06514	17.1
109.10130	25.4
112.99975	13.3
115.05433	7.6
117.06997	22.8
119.08559	100.0
121.06488	24.4
121.10120	40.6
123.08054	6.8
123.11660	11.8
128.06151	11.5
129.06981	20.8
130.07765	8.6
131.08545	48.0
133.06433	3.1
133.10100	57.4
135.08022	6.3
135.11682	25.8
137.09598	4.6
141.06975	6.7
142.07758	25.7
143.08543	36.7
144.09299	6.7
145.10097	69.8
147.08043	5.7
147.11652	25.8
149.09586	4.6
149.13237	4.9
153.06944	2.6
154.07700	3.7
155.01048	10.0
155.08499	13.5
156.09355	12.6
157.10101	62.5
158.10872	9.6
159.08099	5.4
159.11652	49.8
161.09615	17.2
161.13216	9.3
163.11203	4.8
163.14632	3.1
165.06924	3.8
167.08522	5.2
168.09349	7.0
169.02597	5.0
169.10126	27.6
170.10893	7.0
171.11649	25.2
172.12447	7.1
173.09598	4.8
173.13225	24.2
175.11139	12.3
175.14795	19.4
177.12614	2.3
179.08554	8.2
180.09229	2.9
181.10085	13.0
182.10817	5.6
183.11681	19.9
184.12439	3.1
185.13242	12.4
186.14041	3.0
187.11154	8.4
187.14798	10.5
193.10094	8.6
194.10922	6.1
195.11655	14.7
196.12418	6.4
197.13211	18.4
198.13884	3.9
199.11168	4.4
199.14832	9.3
201.16409	8.7
206.10861	2.3
207.11684	7.5
208.12460	3.6
209.13222	16.9
210.13988	4.1
211.14806	12.0
213.16368	6.2
215.14304	3.1
217.15929	3.0
218.10660	2.9
219.17551	4.2
220.12477	3.4
221.13112	5.3
223.14763	10.8
225.16443	7.3
235.14925	6.1
249.16344	2.4
251.17868	3.5
253.15720	6.1
265.19489	4.0
273.08392	2.3
281.18939	2.3
293.19058	2.7
309.96960	2.8
375.26807	6.4
393.27808	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	393.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45630	1.3
53.03926	2.3
55.01855	2.5
55.05504	13.4
57.03409	4.9
57.07060	3.9
59.93699	1.3
65.03914	2.3
67.05497	22.8
69.03403	1.6
69.07063	11.9
69.66736	3.2
69.67152	6.3
70.06565	3.0
71.04956	2.6
71.08594	2.2
79.05482	25.6
81.03398	2.7
81.07043	23.3
83.04980	2.1
83.08591	5.1
85.06499	2.5
87.04435	2.5
91.04928	2.0
91.05467	34.2
93.07025	25.8
95.04946	10.1
95.08590	20.6
97.06509	3.6
97.10164	3.1
99.08090	2.7
103.05409	2.2
104.31068	1.2
105.06326	2.5
105.07009	35.6
107.04915	3.5
107.07906	1.9
107.08575	19.7
109.06489	8.9
109.10156	7.5
111.08052	1.8
115.05428	2.3
116.06240	1.8
117.07001	24.9
119.04909	2.1
119.08561	30.0
121.06481	7.2
121.10132	9.9
123.08018	4.3
123.11678	2.9
125.09577	1.7
128.06192	4.5
129.06992	16.9
130.07787	2.4
131.08546	36.0
133.06477	11.9
133.10101	16.0
135.08015	4.1
135.11653	5.1
141.06958	2.0
142.07822	3.0
143.08539	15.4
145.06418	1.3
145.10106	25.1
147.08034	9.4
147.11649	12.4
149.02310	4.4
149.09576	4.4
149.13197	2.8
155.08528	3.0
156.09274	1.7
157.06509	1.7
157.10109	10.9
159.08066	1.7
159.11665	19.4
161.09569	5.8
161.13208	7.0
163.11157	4.5
167.08498	1.6
169.10094	4.6
171.11674	10.5
173.13232	8.9
175.11188	7.3
175.14815	3.9
177.12756	2.4
181.10094	2.0
183.11671	4.4
185.13211	9.8
187.14787	4.0
189.12741	6.1
191.10645	1.9
191.14317	2.2
193.04880	3.6
195.11644	2.1
197.13251	3.0
199.14749	6.0
201.12642	2.1
201.16296	1.3
203.14268	5.3
209.13220	2.6
213.16357	2.6
217.15887	2.0
223.14708	2.7
226.40732	1.2
228.23123	1.5
233.15446	1.3
239.17847	2.3
241.19440	2.2
255.21014	6.1
256.21255	1.5
257.18976	5.3
259.20547	2.2
265.19443	3.1
273.22058	23.3
275.20050	1.6
283.20551	13.1
301.21576	100.0
302.21976	4.9
319.22592	12.8
329.24780	2.4
331.22629	3.1
349.23804	10.1
357.24057	1.7
375.25253	63.8
376.25482	5.0
393.26312	25.4
394.29996	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	393.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10765	1.1
52.18013	1.1
53.03932	2.8
55.01860	4.0
55.05503	14.5
57.03425	8.9
57.07070	2.6
65.03923	1.1
67.05497	23.0
69.07060	11.5
71.04984	2.3
71.08630	1.7
71.70430	2.4
71.70788	1.2
75.04478	1.3
79.05483	28.0
81.03411	3.0
81.07044	25.0
81.07482	2.0
83.04963	3.3
83.08607	5.0
84.08951	1.0
85.06545	2.4
85.17046	1.0
87.58421	1.0
89.15562	1.0
91.05466	38.4
91.06044	2.1
93.07030	30.4
95.04944	15.0
95.08590	18.1
97.06481	2.7
97.10119	2.6
102.11512	1.0
103.03889	1.1
103.05489	2.8
105.07016	38.3
105.07711	2.4
107.04947	4.6
107.08581	16.9
109.06490	6.0
109.10151	6.7
115.05475	3.1
116.06233	1.5
117.07005	30.4
119.04958	1.4
119.08565	27.7
121.06522	5.8
121.10133	8.2
123.08066	3.3
125.09565	1.2
128.06229	4.2
129.07004	17.1
130.07762	2.9
131.08551	40.5
133.06476	12.6
133.10110	19.8
135.08038	4.7
135.11711	5.5
137.09615	1.2
141.06967	3.4
142.07716	2.4
143.08542	17.0
144.09340	1.3
145.06467	2.4
145.10100	28.7
147.08040	11.3
147.11655	14.0
147.12724	1.4
149.09569	2.8
149.13260	3.2
151.11137	1.3
155.08475	5.8
157.10098	14.8
159.08035	2.0
159.11673	20.0
161.09572	7.1
161.13254	6.6
163.11171	3.0
163.14853	1.2
167.08571	1.6
169.10104	4.1
171.08134	1.4
171.11656	12.3
171.12895	1.4
172.12038	0.9
173.09584	1.5
173.13248	10.9
175.11182	10.1
175.14833	3.8
177.12801	3.5
181.10153	2.3
183.11705	3.9
185.13237	9.5
187.14821	5.0
189.12732	7.3
189.16385	1.6
191.10866	1.3
191.14352	2.0
195.11685	2.3
197.13274	3.1
199.14896	3.1
201.12741	2.4
203.14337	4.5
209.13226	2.3
211.14714	1.2
213.16376	1.5
217.15906	2.6
223.14783	2.2
229.19650	2.0
233.15375	1.1
239.17932	1.5
241.19344	1.5
255.21115	5.3
257.18878	5.7
259.20471	1.8
265.19550	3.8
273.22119	25.5
275.20068	3.0
277.21692	1.7
283.20541	11.8
301.21576	100.0
302.21964	4.3
319.22696	13.8
329.24634	2.0
331.22650	2.8
349.23727	11.5
357.23798	1.9
365.26971	2.5
375.25250	68.9
376.25589	4.5
393.26221	26.5
394.26590	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	393.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.8
58.80637	0.4
69.17690	0.4
70.33469	2.1
72.58501	0.5
81.07046	0.7
92.03409	0.4
95.08614	0.5
99.68649	0.5
112.99969	1.0
115.85079	0.5
123.41104	0.4
126.17767	0.4
128.38496	0.4
185.58411	0.5
216.67667	0.5
250.47739	0.4
297.07584	0.4
306.28073	0.4
309.20065	0.8
363.35437	0.5
368.59198	0.5
375.24582	1.7
393.26059	100.0
394.26425	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	393.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.8
58.80637	0.4
69.17690	0.4
70.33469	2.1
72.58501	0.5
81.07046	0.7
92.03409	0.4
95.08614	0.5
99.68649	0.5
112.99969	1.0
115.85079	0.5
123.41104	0.4
126.17767	0.4
128.38496	0.4
185.58411	0.5
216.67667	0.5
250.47739	0.4
297.07584	0.4
306.28073	0.4
309.20065	0.8
363.35437	0.5
368.59198	0.5
375.24582	1.7
393.26059	100.0
394.26425	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	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
57.07073	0.5
68.05003	1.7
69.74772	4.4
70.06566	1.2
72.08134	1.7
80.05790	0.6
84.08125	0.7
86.09672	1.4
86.42776	0.6
88.03958	0.6
91.05468	0.7
120.08062	0.9
121.02876	0.9
124.05070	0.6
130.04948	1.1
140.03395	0.9
142.12285	0.6
149.04565	1.0
163.03944	2.0
164.04301	0.8
172.06020	0.9
201.06485	2.0
202.07219	2.2
203.07910	1.9
204.08810	6.8
215.08006	1.8
216.08788	100.0
217.09337	4.3
218.10309	5.6
220.09583	0.7
221.09964	1.4
222.01711	0.5
225.06442	11.4
226.07162	3.5
227.07829	1.7
228.08722	1.2
229.09514	1.1
230.10335	10.0
237.05486	0.7
240.08784	54.3
241.09288	3.2
246.09821	6.8
257.04428	1.5
258.09799	1.8
268.08252	4.9
271.05991	1.1
272.11401	3.7
273.03906	10.5
274.04303	1.2
283.09332	1.1
285.03952	1.8
299.05481	2.9
300.10898	56.5
301.11105	1.6
303.05002	4.0
311.05396	3.6
311.08664	0.9
315.05032	1.3
315.11957	0.9
327.04916	4.6
333.13013	3.4
339.04803	4.1
343.11420	2.7
357.06018	6.5
358.06396	0.9
361.12546	4.6
375.14005	4.6
393.15106	28.0
393.25485	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	393.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91870	0.5
53.67652	0.4
55.05500	0.8
60.04518	0.6
61.01137	5.0
67.05495	0.7
68.99787	0.4
69.07047	0.8
70.06575	1.5
71.69868	0.7
72.04510	4.4
72.08138	1.0
78.03777	8.9
79.05481	0.9
81.03407	0.5
81.07056	1.3
84.08134	1.5
85.02904	0.7
86.09705	6.9
88.03977	0.7
91.05482	0.8
95.08654	0.7
99.08093	0.5
102.03752	15.5
103.02147	0.8
105.03367	2.2
105.07025	1.0
106.02887	0.4
106.03718	1.3
107.04963	0.5
107.08583	0.7
110.07035	0.4
115.05418	0.6
117.07000	0.5
120.04814	1.3
120.08092	3.8
121.02899	0.6
121.10155	0.4
129.10213	0.4
131.04897	1.7
131.06380	9.8
132.04712	5.7
133.05559	0.7
133.06459	0.5
134.05940	0.4
143.11818	0.5
147.04391	0.5
149.07422	69.8
150.07779	1.2
155.11754	0.5
156.10127	0.7
158.25584	0.4
161.06006	1.1
162.09082	1.9
163.09413	0.7
166.89500	0.4
171.04388	48.9
172.04750	2.2
175.03862	0.5
176.10620	0.4
177.10229	0.4
189.05452	5.7
189.11041	1.1
190.11227	0.7
199.03879	28.8
200.04283	1.1
200.13931	0.7
200.16434	1.5
201.12306	1.8
201.16832	1.0
203.03360	1.5
217.04961	6.2
227.03362	56.3
228.03712	2.9
234.12457	0.5
245.04425	100.0
246.04776	4.5
255.11357	0.5
273.03821	1.1
316.08286	0.7
392.28568	0.6
393.10983	0.7
393.29138	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
64.88164	1.5
69.91785	4.6
69.92200	5.0
105.34377	1.4
107.15487	1.4
112.09798	1.6
121.02834	3.0
140.43050	1.4
153.01746	7.2
163.03960	1.5
169.02744	1.6
171.04366	2.8
181.06425	2.1
182.44580	1.7
196.60802	1.6
197.05910	3.2
209.05998	3.0
211.03978	2.7
216.08774	3.6
217.04849	1.5
219.02780	3.3
225.05420	4.3
229.04933	4.4
234.98996	3.5
237.05414	7.0
240.08699	3.5
241.04843	3.1
245.04376	3.0
253.04822	3.5
255.06583	1.8
257.04431	21.6
260.03046	2.5
261.03925	4.5
263.01807	7.9
265.04965	3.0
269.04395	4.0
271.05945	11.0
273.03879	100.0
274.04471	6.7
281.04364	5.4
283.05933	7.6
285.03946	17.8
287.02051	2.8
287.05371	14.9
289.03922	2.1
293.04382	3.4
293.16049	1.7
297.03842	10.1
299.02173	3.1
299.05441	28.1
300.05817	1.9
300.10986	3.2
301.07074	1.7
303.04959	40.4
303.08200	2.8
304.05432	1.8
310.04648	2.1
311.05453	38.4
312.05634	1.7
315.04913	6.8
324.44476	1.5
327.04913	40.8
328.05276	1.7
329.06537	3.9
339.04938	53.9
340.04996	2.3
357.05994	98.0
358.06290	3.6
375.07047	8.7
393.08069	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	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13765	2.1
55.01845	2.5
56.05023	3.8
56.71666	2.0
61.02933	2.9
68.05042	2.3
69.07033	3.1
69.64906	17.2
70.06581	29.6
71.08627	2.5
72.08130	8.0
74.06067	32.2
76.02202	2.9
79.05490	4.5
81.03420	2.9
81.09063	2.1
84.04485	10.2
84.08118	10.1
85.02893	9.0
85.87227	2.2
86.09692	21.3
91.05478	5.5
97.02856	3.2
99.08082	3.9
103.05435	4.4
105.03358	2.3
105.07004	5.2
107.04933	42.4
116.07054	7.4
120.08096	9.6
121.02863	3.9
123.04414	2.3
124.05215	2.7
129.10179	4.6
130.04942	3.5
131.04927	2.2
135.04359	4.9
135.08026	12.2
136.07564	9.4
142.06854	6.3
145.02837	4.5
149.02292	6.5
150.02626	3.3
152.06987	3.2
156.13867	6.9
163.03865	8.1
163.07523	32.9
167.03502	2.5
167.07013	100.0
181.08553	2.7
195.06560	5.4
195.10133	26.2
204.29131	2.3
213.11186	92.7
215.13818	3.8
220.09685	2.7
243.13171	2.4
245.09456	5.4
272.77444	2.7
273.03821	3.0
330.23801	2.8
375.11676	3.8
392.23834	2.7
393.15439	5.5
393.21136	4.3
418.88077	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	392.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05498	1.4
56.05020	1.5
56.20327	0.7
57.03165	0.9
57.03428	14.5
58.99575	8.4
65.03912	1.2
67.05511	1.1
71.04971	0.9
71.65754	1.1
73.01112	0.9
74.00660	0.6
76.02216	47.0
76.03972	0.8
83.04930	1.0
83.06082	2.8
84.04486	26.7
84.08124	5.4
85.01105	1.0
85.06029	1.4
85.06528	22.8
86.17927	0.7
86.99026	2.7
87.02667	1.6
88.02186	2.1
89.00602	2.1
89.04202	0.8
96.08091	0.7
99.02648	4.1
102.05491	0.8
104.67446	0.7
112.03936	2.3
113.04206	0.7
116.01659	14.1
116.05329	0.9
117.03696	100.0
118.04016	1.4
121.02830	3.0
121.23164	0.7
122.03171	1.7
125.04207	3.1
129.06589	5.2
130.04185	0.6
130.04984	15.9
142.03194	3.3
142.05078	0.9
142.06847	8.5
142.08623	1.7
143.05197	3.8
144.01129	6.7
145.06076	1.5
149.02295	1.5
160.07890	23.1
162.02182	30.3
163.03912	0.8
165.01862	1.0
166.02071	1.1
170.02672	1.0
177.01753	0.9
179.04828	21.3
183.02892	0.9
187.05374	1.4
191.03391	1.0
192.03728	1.7
215.04865	0.9
217.41478	0.8
219.02876	1.3
220.03261	1.7
228.06963	1.0
232.03224	1.4
233.05904	5.6
245.09508	89.7
246.07715	4.5
246.09676	1.3
262.04416	1.6
263.10617	5.5
272.06598	1.1
291.06381	1.4
299.10599	1.0
314.07394	3.6
317.11572	13.3
326.07166	1.4
356.08829	0.8
375.11975	0.8
392.14911	2.6
401.55270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11705	0.3
69.07058	0.6
81.07042	0.6
84.95892	0.3
94.54614	0.4
98.21601	0.7
105.06970	0.4
126.14304	0.4
149.02310	1.8
175.94157	0.4
177.74034	0.3
229.58917	0.4
290.92215	0.4
391.24478	100.0
392.24869	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01862	4.8
55.05504	15.2
57.07051	8.7
59.95047	3.1
65.03938	4.0
67.05477	21.7
69.03412	7.9
69.07044	11.9
79.05476	28.2
79.24174	2.9
81.07046	43.4
83.04966	6.2
83.08590	3.6
85.02906	3.3
85.06524	4.1
91.05470	46.7
93.07023	45.8
95.04955	35.8
95.08596	24.9
97.06496	6.1
98.21484	8.2
105.07014	86.7
107.08582	32.1
109.06491	9.1
109.10125	9.7
110.24287	3.4
115.05431	9.7
117.06997	17.5
119.08566	69.7
121.06462	14.2
121.10131	26.1
128.06203	14.4
129.06996	22.6
130.07748	8.7
131.08534	27.2
133.10112	21.7
135.08032	5.9
135.11612	3.3
141.06990	8.0
142.07796	25.7
143.08556	35.1
145.06473	6.6
145.10109	50.7
146.10486	4.3
147.08022	10.5
147.11662	11.3
149.02306	11.7
149.09558	6.0
152.06184	3.7
153.06946	5.8
154.07700	4.4
155.08519	19.5
156.09363	16.2
156.30135	3.9
157.10109	48.6
158.10837	5.1
159.08037	8.9
159.11682	23.4
161.09589	9.2
163.11073	3.3
165.06990	11.5
167.08508	12.4
168.09325	9.4
169.09105	2.8
169.10139	26.7
170.10783	3.9
171.08049	3.4
171.11684	23.3
173.09625	8.6
173.13220	10.5
175.11163	6.2
178.07721	5.6
179.08554	14.1
180.09225	4.5
181.10080	20.4
182.10841	9.9
183.11647	28.4
184.12425	3.9
185.09639	4.7
185.13214	9.3
187.11145	6.9
187.14861	4.3
191.14211	5.3
192.09314	7.2
193.10078	18.9
194.10895	9.5
195.11702	26.9
196.12331	6.2
197.09706	4.6
197.13252	22.8
199.11139	4.8
199.14732	6.0
204.09431	3.5
205.10165	5.6
206.10847	12.8
207.11716	22.0
208.12358	8.1
209.09811	3.2
209.13257	25.0
211.11066	7.9
211.14783	12.7
213.12706	3.7
218.10938	6.5
219.11642	9.1
220.12440	6.6
221.13280	17.6
223.11166	5.9
223.14726	7.0
225.12764	4.4
227.14316	4.9
231.11700	6.7
232.12343	6.7
233.13206	10.0
233.15318	5.9
234.14011	6.8
235.14742	10.5
237.12733	4.4
237.16295	6.7
239.14113	3.0
241.15776	5.2
243.11752	4.5
244.12514	5.5
245.13159	7.5
246.13983	3.5
247.14783	7.5
248.15514	4.3
249.16273	16.0
251.14279	6.3
251.18007	4.3
257.13135	5.6
259.14804	5.0
260.15579	5.2
261.16299	5.3
263.17819	7.6
267.17474	4.6
273.16302	4.2
275.14624	4.0
275.17786	6.5
277.19519	5.6
279.17358	6.0
282.19717	8.3
283.20181	3.7
291.17392	4.7
295.20605	4.7
297.18509	8.4
307.20413	6.4
317.19025	3.9
335.20013	11.2
363.26782	3.1
373.25339	19.9
391.26263	100.0
392.26715	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	391.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.96545	0.6
57.07051	0.8
67.05498	1.0
69.07059	0.7
70.06596	2.2
71.08630	0.6
79.05486	0.9
81.07041	0.8
85.44510	0.4
88.07608	1.8
90.13411	0.4
91.05431	1.1
93.07034	0.7
95.04939	0.5
95.08591	0.8
102.09143	1.2
102.93080	0.4
105.07008	1.1
107.08575	0.7
111.37305	0.4
119.08622	0.5
136.11940	0.4
147.11603	0.4
149.01204	0.6
149.02319	4.5
167.03319	0.4
242.11342	0.6
246.69827	0.4
259.12280	0.8
260.12405	0.8
273.03748	0.4
284.29355	0.8
285.29852	3.7
321.16718	1.7
350.17090	0.9
367.17471	0.4
368.18219	1.8
390.35416	0.5
391.24481	100.0
392.24866	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	391.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.96545	0.6
57.07051	0.8
67.05498	1.0
69.07059	0.7
70.06596	2.2
71.08630	0.6
79.05486	0.9
81.07041	0.8
85.44510	0.4
88.07608	1.8
90.13411	0.4
91.05431	1.1
93.07034	0.7
95.04939	0.5
95.08591	0.8
102.09143	1.2
102.93080	0.4
105.07008	1.1
107.08575	0.7
111.37305	0.4
119.08622	0.5
136.11940	0.4
147.11603	0.4
149.01204	0.6
149.02319	4.5
167.03319	0.4
242.11342	0.6
246.69827	0.4
259.12280	0.8
260.12405	0.8
273.03748	0.4
284.29355	0.8
285.29852	3.7
321.16718	1.7
350.17090	0.9
367.17471	0.4
368.18219	1.8
390.35416	0.5
391.24481	100.0
392.24866	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	391.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.5
55.01863	3.8
55.05497	12.5
57.03426	16.1
57.07055	2.4
59.04982	5.8
61.02618	2.6
61.02920	47.9
67.05495	100.0
68.05813	2.4
69.03419	21.7
69.07040	3.8
70.88982	4.4
71.01326	2.6
71.04971	7.0
73.02518	1.9
73.02902	23.7
78.16833	1.4
79.05470	5.0
80.72374	1.3
81.03407	14.1
81.07037	18.1
83.04958	7.4
83.08601	9.1
84.99781	1.6
85.02895	47.3
85.06513	3.4
87.04449	3.6
91.03381	1.5
91.03948	29.3
91.05461	9.9
93.07016	7.9
95.08616	7.2
97.02882	40.6
97.06512	2.1
99.04433	8.3
101.02343	9.9
103.03925	3.8
105.07013	3.3
107.08553	5.1
109.02847	6.0
109.10141	93.4
110.10493	2.0
111.04382	1.9
111.08046	3.2
113.05962	1.7
115.03915	3.8
119.08539	8.6
121.02900	1.4
121.10151	1.5
125.09618	2.6
127.03000	2.6
127.03888	21.5
129.05470	4.8
137.09581	6.9
145.04897	7.2
149.02327	16.3
155.10678	9.4
173.09491	2.6
173.11717	64.4
174.12086	2.1
183.06546	3.3
189.11105	2.7
201.07600	3.7
229.12035	3.3
229.14319	67.1
257.13663	4.1
271.10800	1.6
281.09116	3.2
294.56485	1.8
299.14941	1.8
331.12518	2.1
355.17627	2.1
359.12637	1.9
371.39499	1.6
373.18600	5.3
391.19693	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	391.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47095	0.8
51.98158	0.7
55.01836	1.5
55.05508	0.8
57.03405	0.7
57.07033	1.7
61.02901	1.5
63.04639	0.6
67.05453	2.2
69.03390	1.6
69.07022	1.5
70.06586	3.5
71.08589	1.3
71.70116	1.4
72.08125	1.8
79.05441	1.0
81.06983	1.0
84.04439	1.1
84.08101	1.3
84.85909	0.7
85.02853	1.6
86.09680	1.1
95.04929	1.7
97.02798	0.9
105.06983	1.9
107.04945	1.6
108.08112	2.2
108.58462	0.7
109.02811	0.7
109.10152	1.4
110.05939	0.8
112.07588	1.2
120.08048	1.3
121.02872	0.9
121.06396	0.9
126.09164	0.8
129.10193	1.0
131.04880	2.2
132.05247	1.3
137.05917	2.6
138.05431	1.0
146.05986	1.7
148.07512	2.3
149.02313	11.4
151.03860	1.6
153.05475	0.8
156.13785	1.2
166.04941	1.8
167.03297	2.1
168.06685	1.1
172.13353	1.0
173.11684	1.3
174.05400	0.9
179.06909	0.8
181.04895	0.7
185.10736	1.1
188.10620	1.5
189.10127	1.5
197.10658	1.4
199.08691	4.2
209.10675	0.8
211.08502	9.2
211.12288	2.0
212.09354	3.9
213.10182	5.9
221.10664	2.6
222.09027	1.8
223.12160	1.5
224.09216	2.1
224.10925	1.2
225.06741	5.3
225.10184	23.0
226.10840	2.9
227.08078	1.9
227.11719	2.5
228.10173	1.5
229.09671	3.7
229.14293	2.1
237.10196	1.2
239.08008	2.1
239.11760	16.8
240.08786	1.4
240.12312	1.2
241.09715	5.3
241.13300	3.3
243.07634	2.7
243.11212	1.2
244.11909	1.1
245.12822	28.7
246.13229	0.8
249.10164	2.2
250.08627	1.1
251.11758	0.9
252.08958	2.4
253.09715	12.0
254.10405	2.1
255.11282	6.1
257.12827	9.8
259.10687	1.7
261.70905	0.7
267.11249	25.6
268.11850	2.8
269.12793	2.8
271.05658	0.8
271.10660	1.5
273.12122	0.9
279.06821	0.8
279.11270	0.9
281.09155	1.2
283.10724	3.3
284.11514	3.4
285.12289	13.3
295.10730	16.7
297.12253	2.3
299.10043	0.8
301.11819	6.1
313.11780	100.0
314.12140	5.2
315.13409	1.7
315.25000	1.1
323.10117	1.8
331.12823	27.9
332.13281	1.2
341.11307	10.7
359.07849	1.6
359.12314	34.3
360.12729	2.0
361.13266	0.8
373.13904	33.6
374.14227	2.3
391.07166	1.3
391.14960	28.9
391.27246	3.8
392.14905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99805	1.0
56.96554	100.0
57.03420	2.4
59.66851	0.9
61.02919	1.9
68.96549	1.2
69.03418	3.3
69.36777	1.0
69.67148	7.0
69.67557	1.5
70.06573	1.5
70.98109	19.8
71.95242	5.3
72.08137	4.2
72.96026	2.8
73.02907	2.5
74.97595	3.4
84.08107	1.7
84.96014	8.2
85.02882	5.0
86.09714	1.1
88.99146	11.7
92.98639	1.2
97.02878	2.4
97.99148	1.2
98.20694	2.1
98.21277	2.9
98.97563	73.9
99.33360	1.0
101.00864	3.3
107.00189	3.9
110.97530	5.8
113.03477	2.4
115.02464	1.2
116.98597	43.6
119.01883	11.0
121.02811	2.0
124.95443	12.3
126.48236	1.1
127.00632	1.3
127.03947	1.4
128.98581	14.6
130.93298	1.8
131.00215	1.5
131.01900	4.4
133.01685	2.3
133.03453	4.4
133.04919	1.2
134.99622	15.0
137.02873	1.6
140.98584	7.1
142.96478	23.6
143.00143	2.1
143.01817	1.6
144.98123	5.7
145.01717	2.6
145.03450	6.4
146.99622	20.8
147.01428	1.5
147.04996	1.3
149.02969	2.0
152.94981	1.6
154.96533	4.1
155.01854	1.4
155.29105	0.9
156.98068	5.1
157.03342	1.4
158.99585	12.4
159.00870	1.1
159.01379	0.9
159.04932	1.5
160.97556	16.1
161.01228	2.2
161.02953	3.8
162.91162	1.0
162.99074	6.1
163.02847	1.1
163.04420	2.4
165.00685	18.2
165.01971	1.4
170.95949	8.9
170.99646	1.9
171.01350	3.4
171.04970	1.6
172.94403	1.5
172.97551	21.2
173.01208	4.2
173.02943	4.9
174.99124	18.8
175.00745	1.7
175.04462	1.5
177.00644	8.7
178.97002	1.2
178.98602	2.0
179.00717	2.6
179.02209	1.6
182.03235	1.2
183.01637	3.1
183.99124	1.4
184.97556	9.1
185.02898	1.2
186.99185	7.5
187.00691	1.8
187.04521	2.3
188.97032	40.4
188.98875	2.1
189.00653	13.2
189.02299	2.1
190.98601	52.7
191.02271	3.6
191.03868	5.3
193.00195	32.7
193.02051	2.6
198.00801	1.3
199.04451	1.4
201.00728	4.9
201.02425	1.3
202.98615	20.1
203.00470	1.4
203.03961	1.4
205.00197	19.3
205.02094	1.9
206.98116	24.0
207.01688	11.2
208.99643	10.7
211.01225	5.3
212.97102	1.6
214.00284	1.8
214.98598	13.6
215.00427	3.2
215.04057	1.8
217.00131	13.6
217.01939	1.4
218.98384	1.5
219.01601	9.5
220.99669	16.9
221.01764	6.2
221.05031	4.3
223.01201	8.9
224.99130	2.5
225.02536	1.4
228.01717	1.8
229.05545	2.7
230.03487	1.2
230.98088	9.5
231.00137	2.7
232.96266	2.6
232.99631	30.8
235.01199	12.2
235.03241	1.8
236.99255	1.4
237.02821	5.4
239.00642	4.2
241.02452	1.1
242.98097	2.4
243.03493	2.4
244.99541	8.1
245.05043	2.1
247.01196	3.1
247.03253	2.0
248.99092	4.7
249.01265	2.6
251.00659	6.6
253.99924	1.2
257.05121	1.8
258.97556	1.5
260.99078	6.7
261.04184	1.8
263.00687	25.2
263.05804	1.2
267.00043	2.9
270.97491	3.7
271.03073	1.2
271.06488	2.0
272.06424	5.5
272.99164	1.9
274.97495	1.5
275.00671	3.9
275.06366	1.1
277.02246	3.0
279.00104	2.4
281.01736	49.1
284.95590	2.3
285.00702	2.0
286.02332	1.9
287.06168	1.5
288.98471	10.7
289.03635	1.3
291.00357	3.0
293.01770	4.4
296.99673	1.4
298.97311	1.5
299.02768	11.5
301.07455	1.3
303.00336	3.4
304.03479	2.9
306.99478	2.1
312.00186	1.3
313.06836	1.6
316.98111	6.2
317.03360	2.0
319.08633	1.6
330.99176	7.8
331.08676	1.6
349.00171	6.5
349.09683	2.5
358.99191	3.8
359.03839	1.3
367.01962	3.3
377.00131	2.9
391.02145	1.4
391.06906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05486	2.8
56.05020	6.6
58.06585	7.5
61.64178	1.6
67.05484	4.1
69.03399	2.4
69.07061	25.8
70.06583	36.2
71.04975	2.8
71.08619	9.3
71.70541	3.3
72.04514	3.1
72.08147	23.5
73.06564	2.5
74.06049	2.0
75.18685	1.8
76.88703	1.8
79.05473	3.0
81.03397	3.3
81.07017	4.2
82.38657	1.9
83.04996	2.1
84.04489	6.7
84.07653	2.9
84.08128	35.1
85.02879	4.9
85.06519	3.6
86.06052	10.2
86.09691	7.0
87.09219	4.0
87.09975	2.3
88.03178	1.8
91.05474	5.8
92.67730	2.4
95.04946	3.1
95.08574	2.0
95.52386	1.8
96.04464	2.6
96.08129	2.8
97.02848	2.3
97.06500	5.0
98.06044	6.9
98.09676	4.8
99.06831	3.9
99.08089	15.9
100.07609	11.8
101.10760	5.3
102.66524	1.8
103.05457	14.9
105.07036	1.7
107.04935	3.8
109.02801	1.9
110.06015	2.4
110.09681	6.8
112.07591	20.2
112.11242	5.3
114.05482	2.6
114.09161	9.2
115.07559	8.6
115.08652	3.6
120.08060	4.5
121.02886	2.3
124.07544	4.6
126.09132	16.7
128.07059	7.2
128.10712	4.9
129.10225	10.8
131.04907	51.7
132.05328	2.0
137.05939	5.4
138.09148	3.8
140.10638	2.4
142.08627	5.2
143.11746	11.8
149.02322	10.5
149.06004	2.2
153.05493	2.7
154.12218	14.9
156.10147	2.3
156.13814	100.0
157.13226	3.8
157.14355	2.6
163.03949	2.3
167.07028	3.4
168.13824	6.6
169.04953	3.4
170.11771	4.7
170.15411	3.9
171.14897	4.3
172.13310	55.5
173.16551	2.6
177.09074	2.2
185.16455	11.7
186.14859	10.0
188.10684	19.5
188.12529	3.1
199.18040	5.1
201.15988	6.2
202.12325	5.0
215.17540	13.4
218.82637	1.8
225.19588	15.7
229.17776	1.8
239.11581	1.9
241.19060	10.6
242.18573	12.4
242.22125	2.6
243.20813	2.9
244.23824	11.0
245.12956	3.0
253.09700	2.2
256.20255	9.4
260.23367	21.0
261.16803	3.2
267.11179	3.9
276.20758	2.1
284.23102	4.7
285.12308	2.6
286.21045	2.0
287.10120	2.2
298.24857	16.8
299.10101	2.1
300.09570	4.5
300.22794	3.9
301.23566	2.2
303.21658	2.4
310.24814	6.9
313.11691	11.4
314.24280	18.1
315.24799	3.7
316.22028	3.5
324.26492	6.2
326.24301	7.2
328.25861	6.8
329.26144	2.1
330.23767	9.2
331.12802	3.4
340.26016	2.3
342.27521	6.6
344.12158	2.2
344.25354	7.7
356.29050	13.8
359.12430	2.7
359.27060	2.0
372.11481	6.1
372.28253	6.6
373.13654	3.9
373.28873	2.8
382.41934	2.3
390.13046	5.4
390.29813	75.3
391.14832	3.0
391.29471	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	390.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29629	0.3
55.01848	0.6
55.05488	1.3
56.05002	0.4
58.06591	2.3
58.29154	0.3
60.04494	0.4
62.11766	0.3
66.66965	0.4
67.05471	0.9
69.03413	0.7
69.06691	0.8
69.07056	15.2
70.06589	2.4
71.69248	0.6
72.07765	0.7
72.08138	9.1
73.06544	1.2
76.07612	0.4
79.05480	0.8
81.07022	1.2
83.04945	0.5
83.08594	0.8
84.04477	1.4
84.08134	3.1
85.02872	0.9
85.06527	0.4
86.06081	0.8
86.09698	2.8
87.10000	0.4
91.05444	1.1
93.07072	0.5
95.04946	0.7
96.08103	1.3
97.02910	0.6
97.06509	4.8
98.06025	2.6
98.09681	4.5
103.05447	16.5
104.05776	1.2
107.04965	0.5
109.10170	0.5
110.09618	0.4
112.07600	0.8
112.11223	4.7
115.07557	6.2
115.87060	0.4
120.08097	0.7
121.02800	2.2
121.06461	0.3
126.09131	15.0
127.00253	0.4
129.10234	1.0
129.13901	0.8
131.04901	63.5
132.05238	2.4
135.04335	0.4
137.05936	1.1
149.02293	1.4
151.03825	0.5
153.13838	0.6
154.12238	25.2
155.12560	0.4
156.13802	0.5
163.03871	0.5
165.09122	0.4
167.07101	0.4
168.13779	1.4
171.14951	1.1
172.13293	54.1
173.13599	1.1
186.14836	1.4
188.10670	19.2
189.11000	0.7
202.12221	7.1
203.12584	0.4
219.15022	0.4
225.19565	0.7
227.13947	0.4
242.22090	0.5
243.20659	1.6
259.18063	2.2
260.23364	1.6
266.49432	0.3
276.20670	6.5
372.26450	6.5
373.25064	1.5
379.84357	0.4
390.27448	100.0
391.17621	0.7
391.27765	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1904
Annotation	Pro His His
Peak:m/z	Relative Intensity
67.05486	10.9
70.76836	20.3
79.05474	8.1
81.07037	7.5
91.05494	6.7
91.88438	4.9
97.02850	5.2
109.10122	10.9
110.90410	5.7
120.08909	5.9
130.60683	6.5
146.26135	5.2
149.02287	6.1
390.18994	100.0
390.27023	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	390.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48322	0.4
53.48569	0.3
55.05487	1.0
55.81286	0.4
57.91191	0.3
58.06591	1.7
69.06683	0.7
69.07051	11.3
69.07426	0.6
69.90101	1.5
69.90529	0.9
70.06570	0.4
72.08138	4.5
73.06525	1.3
76.07598	0.6
77.03976	0.3
79.05459	0.8
79.91908	0.3
81.07046	0.5
84.04475	1.0
84.06831	0.3
84.08136	1.2
91.92781	0.3
96.08149	0.6
97.06514	3.7
97.54714	0.4
98.06036	1.5
98.09679	2.7
103.05440	10.8
112.07543	0.5
112.11214	3.5
114.09116	0.5
115.07540	4.5
126.09132	9.7
129.13843	1.0
131.04901	70.7
132.05257	1.4
146.77461	0.4
153.94893	0.3
154.12233	15.9
155.12640	0.4
159.87511	0.3
168.13834	1.7
171.14960	1.1
172.13289	37.2
173.13669	1.2
186.14876	1.8
188.10670	40.8
189.11008	1.6
202.12206	6.2
245.16470	0.6
256.40411	0.4
258.19693	0.4
259.18042	1.8
276.20679	4.9
355.23825	0.4
372.26358	5.7
373.25003	1.1
387.79123	0.3
390.27432	100.0
391.27725	9.0
404.73605	0.4
414.00143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
54.79830	2.9
55.01842	3.9
55.05501	7.2
55.08433	2.8
57.03419	13.4
59.04990	8.1
60.60369	2.7
61.02909	3.0
67.05491	10.6
69.03415	16.0
69.07047	9.4
70.06573	5.1
70.75096	5.0
70.75490	5.9
71.04977	10.5
72.08141	5.5
79.05473	9.4
80.45538	2.9
81.07043	21.2
83.04959	8.8
83.08589	7.4
85.02886	23.7
85.06515	3.1
86.09692	25.5
91.05450	14.4
93.07031	13.8
95.08587	15.2
97.02895	3.9
97.06509	5.9
103.05403	2.7
105.07005	10.6
107.04963	4.6
107.08569	52.5
107.85653	2.6
109.02847	4.8
109.06496	8.8
109.10135	60.7
111.08079	3.4
117.07001	4.4
119.08498	4.4
121.06491	8.8
121.10120	64.0
123.08074	6.7
123.11681	8.1
125.09643	8.0
127.03938	4.2
128.06104	3.3
131.04903	4.9
131.08574	5.9
133.10117	14.1
135.07999	14.2
135.11652	10.9
137.09612	21.7
139.07637	2.9
139.11185	12.2
142.06839	23.3
143.10640	3.8
145.10098	5.8
147.04379	7.9
147.11629	11.0
149.09613	9.4
149.13217	37.6
151.11151	45.4
153.09099	9.8
158.10846	3.9
159.07964	3.8
161.05948	15.5
162.06653	5.5
163.14809	18.6
163.38025	2.8
165.12766	3.7
167.07037	17.9
167.14331	3.2
169.12218	7.9
173.13179	30.9
174.65527	3.2
175.07544	5.0
179.07010	4.3
181.08667	4.0
187.07530	7.4
191.14264	85.4
205.08574	17.5
209.15343	71.4
227.16374	100.0
245.09520	17.3
251.08296	5.7
265.09711	4.9
279.07632	4.9
293.09125	7.3
297.08728	7.1
321.08719	4.3
339.09720	5.2
371.11783	6.6
389.13046	14.4
411.48840	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	389.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01851	5.7
55.05498	56.8
57.03423	15.9
57.92434	1.6
59.04987	2.2
67.05488	23.3
69.03416	25.3
69.07056	8.5
70.26807	1.5
70.61254	4.6
71.04984	9.3
79.05485	20.9
81.03402	100.0
81.07035	17.3
83.04970	4.8
83.08603	31.7
85.02892	14.3
91.05468	6.1
93.07029	9.2
95.04931	2.5
95.08594	2.1
97.02876	22.8
97.10152	74.4
99.04441	9.8
103.03953	2.8
105.07014	2.1
107.08575	23.5
108.08901	1.5
109.02866	18.5
109.06506	2.6
109.10117	5.1
109.25127	1.6
111.08068	4.1
117.07019	3.5
118.58328	1.3
125.09611	70.1
127.03889	19.3
131.08557	2.2
135.08041	8.0
137.05997	2.5
143.10680	5.6
145.04941	2.4
145.10086	1.8
153.09100	6.6
155.08192	1.5
171.10136	6.5
183.06537	2.8
189.11188	84.7
195.14420	1.3
213.74265	1.5
227.12744	35.2
227.14813	2.7
245.13788	27.5
273.13290	22.5
297.13336	2.5
315.14413	2.7
371.16995	5.5
376.08142	1.5
389.18051	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	389.1588
Annotation	Renealtin A
Peak:m/z	Relative Intensity
52.47310	1.3
53.03922	2.5
53.99325	1.2
55.01863	18.8
55.05500	5.1
57.03423	1.8
60.09285	1.3
65.03923	5.7
67.05492	7.3
67.26480	1.4
69.03425	1.7
69.07045	2.7
70.06560	2.2
71.04976	2.2
71.10659	4.3
77.67211	1.1
78.95623	1.4
79.05471	6.2
81.03399	5.6
81.07040	6.9
83.04951	1.9
84.08131	1.5
85.02890	4.1
91.05441	9.1
93.07023	4.8
95.04953	7.4
95.08570	4.0
97.02867	3.0
97.06522	6.1
97.10139	1.6
103.05458	8.2
105.03356	1.3
105.07016	3.4
107.01319	1.4
107.04921	6.3
107.08582	2.8
108.02082	2.1
109.02846	5.2
109.06518	2.4
109.10145	2.4
110.03654	2.7
111.04428	3.0
115.05405	4.1
117.07005	2.5
119.04920	9.4
119.08600	2.8
121.06480	5.6
122.03604	2.4
123.04412	100.0
123.08024	1.3
125.05997	2.1
125.09718	1.2
127.03908	3.4
128.06187	2.7
129.07014	3.8
129.10216	1.4
131.04898	10.2
131.08566	2.4
133.06465	2.4
135.04382	3.6
137.02304	1.7
137.05949	22.9
138.06248	1.9
139.03876	28.9
143.04893	3.9
145.06432	2.8
147.04395	30.3
149.05940	7.3
151.03883	40.7
151.05057	2.6
157.06459	3.7
160.05162	2.0
161.05959	14.2
163.03903	7.5
163.07521	6.1
165.05452	19.3
167.07031	14.4
169.04951	3.3
171.06569	3.1
173.05943	16.3
174.06657	2.2
175.07497	8.1
176.04688	3.2
177.05453	30.3
177.08963	1.8
178.05821	1.8
179.07036	4.6
181.04932	46.8
181.08543	4.7
185.05937	1.6
187.07532	2.1
189.05444	4.6
189.09059	5.0
191.07024	7.0
193.04930	2.4
193.08566	42.4
203.10657	1.5
205.08595	4.3
207.06494	13.2
209.08069	25.8
217.08595	2.1
219.08229	2.6
219.10136	18.2
223.09578	2.2
231.10123	2.7
235.09627	2.5
237.11247	7.1
249.11224	2.1
265.09558	1.8
277.08578	3.0
285.07639	2.6
291.08676	3.2
293.08963	1.7
303.08545	7.2
309.11127	2.1
311.09174	3.6
321.11414	2.2
327.12164	5.3
329.10159	17.6
329.13858	2.4
330.10367	1.6
339.12524	2.8
341.14069	2.4
345.13278	28.0
353.13715	5.1
371.14911	18.3
389.15945	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51813	1.4
54.24922	1.6
55.01857	2.5
55.05492	3.7
58.06576	4.4
67.05487	2.0
69.07052	18.3
70.01479	1.3
70.06582	8.0
70.64321	2.9
70.64699	2.1
72.08141	17.2
73.06504	2.9
74.06077	1.6
79.05495	1.7
80.28394	1.6
81.07030	2.0
83.04970	3.0
84.04484	4.0
84.08131	12.1
85.02892	3.7
85.06541	1.7
86.06013	1.8
86.09686	6.2
96.08097	2.5
97.02848	1.5
97.06519	6.2
98.06011	4.6
98.09676	2.8
98.20825	1.7
101.06010	4.1
101.07109	2.1
111.04378	8.4
112.07567	3.7
112.10471	1.3
112.11220	6.8
113.07056	1.6
115.07535	10.0
121.02856	2.1
126.09157	13.2
129.05450	3.8
129.10162	1.9
140.07053	2.2
143.11778	4.1
153.01744	1.8
154.12282	11.6
168.10170	17.1
168.13794	3.0
170.11752	3.7
172.13306	54.1
173.13672	2.1
182.11751	1.7
186.11243	18.6
186.14883	7.4
200.12741	2.8
215.17578	2.6
216.75185	1.6
239.17422	2.2
241.18993	2.1
243.20676	1.7
246.04869	2.4
257.04477	2.2
260.23352	6.9
264.02213	1.9
273.03955	18.8
274.04239	48.5
274.21234	2.8
275.04358	4.1
282.05072	1.7
296.06351	3.3
298.04202	3.2
299.05240	2.5
300.02429	1.9
300.05731	3.8
311.05142	1.9
312.05789	3.2
314.07251	8.2
324.05869	2.8
340.05215	14.7
352.05264	4.9
352.25888	6.4
358.06342	3.2
370.06372	9.9
370.26996	23.7
388.07321	9.4
388.28000	100.0
389.07965	1.9
389.17636	7.8
389.28305	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	388.1051
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
53.03922	0.5
53.52750	0.4
55.05502	0.5
60.09871	0.4
63.43775	0.4
66.04713	0.9
67.05492	0.6
69.96664	2.7
75.04461	1.4
78.04686	0.7
79.05470	1.7
80.48091	0.5
81.07030	1.2
87.62130	0.5
91.04192	0.5
91.05473	4.7
92.49144	0.5
93.07042	1.0
94.04145	0.5
95.04945	1.6
99.27253	0.5
104.04976	9.4
105.03393	0.8
105.05754	21.3
106.06552	3.6
107.04918	0.8
107.07306	1.4
108.04488	0.5
109.06518	0.9
112.63026	0.5
116.04949	1.2
117.05723	2.0
117.06977	0.4
118.06522	6.1
119.03664	10.4
120.04449	13.0
121.06477	3.6
123.06780	4.7
128.04990	0.9
129.06926	0.6
130.02869	2.3
131.08551	0.7
132.04430	21.3
133.05209	36.1
133.10129	0.5
134.02313	1.7
134.06003	10.7
135.06725	0.7
137.05942	0.5
138.01050	0.9
144.04373	0.9
145.10168	0.6
146.05960	4.4
148.03874	1.6
149.04698	41.7
151.06210	0.5
162.05475	21.8
163.06253	100.0
163.34921	0.6
164.07034	50.4
165.07346	0.9
166.08600	1.3
172.61771	0.5
174.05432	1.0
179.05774	1.3
191.08214	0.7
194.08096	42.5
195.08385	0.6
204.07942	0.8
216.06471	0.9
218.08353	1.7
219.09010	0.6
243.07797	1.3
253.05241	3.0
261.08774	2.4
281.04706	0.5
296.05811	19.7
297.06082	0.6
324.05197	2.8
370.24704	1.0
388.25574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05498	11.9
67.05499	22.3
69.07047	8.2
69.46330	24.6
69.46741	11.7
75.20538	3.2
79.05479	20.3
81.07052	37.4
83.04976	5.4
91.05466	19.0
93.07047	22.3
95.04955	6.0
95.08582	19.4
105.07005	27.6
107.08563	16.5
109.06480	6.9
109.10168	8.8
117.07002	11.0
119.08565	18.1
121.06487	3.9
121.10130	8.0
129.07011	8.0
131.08554	14.3
133.06468	8.5
133.10118	21.3
135.08041	4.1
135.11685	6.3
142.07820	5.3
143.08543	7.3
145.06517	4.9
145.10101	16.0
147.08046	8.3
149.09621	10.5
155.08583	5.7
157.10095	8.2
159.08105	4.1
159.11705	7.6
161.09622	12.6
161.13292	5.7
169.10104	7.2
169.58730	3.6
171.11665	8.4
173.09610	6.3
173.13226	4.1
175.11159	10.8
183.11714	4.8
185.13292	5.5
187.11075	8.9
187.14787	5.5
189.12701	4.7
199.14824	7.6
201.12817	7.0
211.14784	4.3
215.14368	4.2
217.15822	5.3
243.17366	7.1
247.17207	3.7
257.18787	4.0
287.19958	7.9
319.22440	3.8
327.16916	3.9
327.26794	9.2
337.25235	17.5
355.26266	100.0
356.26520	7.7
387.15958	6.4
387.28931	42.8
388.28970	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	387.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82996	6.0
53.03922	21.0
54.36585	6.0
55.01860	16.7
55.05503	45.5
57.07061	10.8
65.03936	9.5
66.84505	6.3
67.05494	65.5
69.07053	32.5
71.04934	7.0
71.71345	6.7
79.05488	65.6
81.03406	39.5
81.07044	100.0
83.04974	25.8
83.08595	13.8
85.06529	11.8
91.05457	57.4
93.07026	78.8
95.04949	25.5
95.08598	52.7
97.06509	13.6
97.10168	7.2
105.07022	60.0
107.04918	34.7
107.05582	5.9
107.08557	39.4
109.06485	9.9
109.10139	13.4
111.08098	8.6
117.06998	25.4
119.08539	41.6
119.61407	6.9
121.06467	15.3
121.10133	21.4
123.08095	8.1
128.06236	7.7
129.06999	24.2
131.08551	39.9
133.06474	16.8
133.10136	28.1
135.08063	14.3
135.11632	33.8
137.09648	9.3
141.07004	9.0
142.07687	7.2
143.08577	32.8
145.06465	12.4
145.10117	26.2
147.08034	21.4
147.11682	14.2
149.09680	6.7
149.13281	19.6
155.08589	8.3
157.10112	44.8
159.08061	13.1
159.11626	30.2
161.09669	13.0
161.13203	12.1
169.10136	17.1
171.11671	18.1
173.09625	14.4
175.11195	15.3
177.12727	60.7
185.13283	15.6
187.11186	24.0
187.14798	10.1
189.12701	6.6
197.13242	7.5
198.69412	6.6
199.14790	35.7
203.14307	14.7
211.14850	7.8
213.16324	10.1
215.14256	8.7
227.17799	10.7
229.15866	9.5
285.18359	7.0
289.92044	8.1
295.62311	6.5
312.03708	6.3
327.26770	15.2
336.87039	6.6
337.25174	13.2
355.26303	90.8
356.26675	7.6
387.28992	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	31.1
55.05503	36.9
55.05920	6.2
57.03423	9.4
57.07058	14.4
60.63871	6.8
67.05504	68.5
69.03387	9.6
69.07057	35.4
70.06591	15.4
71.04992	11.0
71.08611	34.6
71.71591	8.7
79.05477	60.1
81.03394	11.4
81.07054	98.8
81.45346	6.9
83.04967	18.1
83.08614	32.3
85.06507	7.7
85.10165	14.7
91.05463	50.7
93.07043	58.4
95.04953	17.1
95.08602	48.7
97.06519	20.6
97.10160	13.1
99.08069	33.5
105.07024	47.4
107.04949	14.6
107.08610	38.6
109.06530	8.7
109.10140	19.9
111.08073	49.6
113.09610	24.4
115.08663	15.7
117.07038	7.2
119.08585	29.7
120.01737	6.3
121.10146	27.8
123.08064	7.6
123.11744	8.5
131.08577	10.6
133.10150	32.1
135.11696	20.3
137.05952	8.2
145.10063	18.2
147.08080	9.7
147.11668	29.7
149.09592	16.6
149.13254	9.2
151.11145	26.5
156.09296	6.5
157.10110	10.5
161.13226	25.5
163.11168	23.7
165.12756	39.3
171.11597	8.5
172.81235	6.9
173.13321	6.6
175.14810	10.4
179.14238	13.5
189.12738	7.9
221.15356	10.1
231.20865	9.4
242.81424	8.2
249.22057	13.4
259.20560	11.7
273.03918	14.2
277.21600	100.0
295.22696	34.2
347.15216	9.1
351.25351	46.7
369.26801	36.0
386.27002	6.8
387.25409	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	387.2004
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03917	1.5
55.01849	3.0
55.05487	1.6
57.03413	3.2
58.06591	1.1
62.40744	1.1
65.03921	1.7
67.05485	3.4
68.99782	1.1
69.03411	1.6
70.06602	5.8
71.04963	1.8
71.45011	2.2
71.99905	1.2
72.08142	7.1
74.97034	1.0
80.26669	1.0
81.03397	3.2
81.07037	3.5
84.04475	2.4
84.08144	5.9
85.02887	7.2
86.09698	7.4
91.05454	2.4
93.07021	1.7
95.04955	1.2
95.08586	9.9
97.02858	2.5
99.08125	1.3
100.54278	1.3
105.03381	16.9
105.07001	2.6
106.03686	6.5
106.57835	1.1
107.04922	1.4
107.08584	2.5
109.02872	2.7
113.05975	1.3
117.07028	1.7
118.42301	1.0
119.08541	3.6
121.06470	1.2
121.10108	1.0
122.03625	3.9
123.08038	5.1
123.11652	2.3
124.82980	1.1
125.09603	1.1
129.10213	2.7
133.10068	1.6
134.06030	1.8
135.11595	1.9
137.02327	8.7
137.05952	39.7
138.02664	3.5
145.04897	1.4
147.11661	1.6
149.09584	4.5
151.07471	1.4
153.01804	4.9
153.05383	1.4
156.13808	3.0
157.06470	1.2
157.13252	1.2
161.13217	1.7
162.09114	10.3
163.09482	9.2
163.10788	1.5
165.12721	1.6
167.07040	3.9
169.02779	1.3
171.04367	2.4
175.07442	1.3
181.04916	2.1
187.03955	1.6
187.07607	1.2
189.12637	2.9
194.08165	2.5
195.08324	1.4
197.06064	1.1
207.13783	10.2
215.03409	2.4
219.02745	1.9
221.05943	2.2
225.05449	3.0
231.02959	1.3
233.08081	2.2
237.05434	3.2
241.04945	1.1
243.02744	1.2
245.04578	3.0
249.05379	2.2
253.05038	1.3
255.02396	1.2
257.04361	6.5
260.03104	1.7
261.03873	4.5
263.01810	3.9
265.05002	1.6
267.06744	1.4
269.04669	1.8
271.02310	2.0
271.05969	6.2
273.03897	100.0
274.04333	7.7
277.04880	1.7
281.04501	1.7
283.05884	1.3
285.03903	5.2
285.07526	3.3
287.01849	2.5
287.05255	2.3
295.05981	6.3
297.03958	6.4
298.04529	2.0
299.01782	5.8
299.05450	8.3
305.04431	1.2
309.11035	1.6
310.04669	2.0
311.05490	4.8
313.07010	17.4
314.07364	1.5
315.04498	1.3
323.05597	6.3
323.08792	1.4
325.03247	1.3
327.04889	4.0
337.10440	3.0
339.04971	31.4
340.05307	2.4
341.06485	4.3
351.04895	10.6
357.05862	2.9
369.06015	16.1
369.13287	1.5
370.06323	2.5
374.49216	1.2
387.07004	16.4
387.14832	4.8
387.20972	20.5
387.29449	1.6
388.07196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01856	6.1
55.05491	4.7
57.03424	4.3
57.84338	2.8
67.01853	2.4
67.05482	6.5
69.03403	4.8
70.06573	6.2
71.54978	7.5
72.08142	4.1
79.05475	11.5
81.03389	5.1
81.07014	8.1
81.96061	2.6
83.04939	6.1
84.08089	3.2
85.02897	18.0
86.09664	3.5
91.05453	8.7
93.07020	9.9
95.04951	5.3
95.08582	9.2
96.31187	3.1
97.02869	7.5
97.06499	3.4
103.05440	7.4
105.07024	8.6
107.04930	5.4
107.08558	11.6
109.06499	4.1
109.10124	3.2
111.08056	3.2
115.05451	5.0
116.98669	2.9
117.06998	5.9
118.78941	2.8
118.97770	2.8
119.08562	7.8
121.06493	4.8
121.10136	7.0
122.03607	8.1
123.04333	4.6
123.08047	6.8
129.06982	3.8
130.91537	2.8
131.04900	7.3
131.08543	5.1
133.06482	5.5
133.10100	5.7
137.05960	84.2
138.06276	5.3
145.06429	4.8
145.10085	4.9
147.11658	4.3
151.03891	15.5
151.07483	8.0
151.11174	14.9
156.29547	3.7
161.05884	3.5
163.03947	7.1
163.07545	6.0
163.11111	4.6
167.07024	22.9
169.49597	3.1
171.04427	2.9
173.05925	5.7
175.07541	6.3
181.04959	29.5
187.07591	5.9
189.09081	4.5
189.12656	7.3
191.07007	8.4
193.08583	3.5
207.13725	30.1
219.02332	3.6
225.14844	11.5
233.08054	3.5
257.04437	5.6
261.03647	3.8
263.01932	7.2
263.06805	4.7
267.06467	3.8
267.10074	3.8
271.06030	5.5
273.03894	100.0
274.04251	8.3
285.03906	6.1
285.07553	5.4
287.01782	3.4
295.06100	7.8
295.09497	6.6
297.03888	12.3
297.11288	4.4
299.01855	6.6
299.05392	11.5
299.08813	3.5
311.05432	6.5
313.06924	12.9
315.05014	4.5
323.05161	4.8
327.04910	5.2
339.04913	33.3
341.06531	6.0
351.04926	8.4
357.13156	8.8
359.11899	4.3
369.05890	19.8
369.13123	4.4
387.07077	19.8
387.14752	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03918	0.5
55.01851	1.2
56.03996	0.3
58.16467	0.3
65.03928	2.3
66.04681	0.6
67.05502	2.0
69.03402	1.2
70.04528	1.6
79.05470	1.6
81.03419	0.4
81.07037	1.5
84.08106	0.5
85.02887	1.3
91.05492	2.5
93.03413	0.5
93.07011	1.0
94.04185	2.6
95.04951	1.1
95.08591	0.6
97.02858	0.6
97.06527	0.6
98.20660	0.4
103.05450	2.4
105.03382	0.5
105.07022	1.0
106.04138	0.4
107.04948	2.3
108.02087	0.8
109.06487	1.0
110.03663	0.8
111.04431	0.9
115.05447	2.1
117.07007	2.1
119.04930	0.5
119.08531	0.8
119.32401	0.3
121.02897	0.4
121.06468	0.3
122.03625	9.3
123.04395	1.5
125.05959	1.0
128.06175	0.4
131.04916	3.4
133.06458	0.7
137.05957	100.0
138.03142	0.4
138.06271	3.4
139.03879	8.5
142.02606	0.6
143.04895	3.0
144.05653	0.4
145.06473	3.7
146.03638	0.4
147.04301	0.5
147.08009	0.7
148.05191	1.2
149.05978	1.5
151.03893	9.0
151.04976	0.5
153.05473	1.0
155.06023	0.6
156.13760	0.4
160.05185	0.5
161.06010	1.7
163.03896	4.4
163.07512	3.2
165.05414	0.9
167.03307	0.5
167.07022	9.7
168.07408	0.5
171.04344	0.6
171.06526	2.0
173.05946	3.7
175.07561	2.1
175.76210	0.4
177.05467	1.3
179.07040	0.5
181.04935	27.2
182.05353	0.9
187.07521	0.9
189.05420	0.5
189.09106	1.3
191.07013	8.3
191.08719	0.6
192.07642	0.4
193.08612	0.6
195.06577	0.7
203.06943	1.8
205.06892	0.4
205.08525	2.0
209.07988	0.5
215.06976	0.5
217.08511	0.8
219.10016	2.1
224.08281	0.4
233.08096	1.8
235.07458	1.5
235.09668	2.2
237.05508	0.4
246.41463	0.4
249.09210	0.8
250.05994	0.4
252.07791	0.5
261.11185	0.5
263.06998	1.4
265.08401	0.5
267.10272	1.0
273.03888	3.8
277.04718	0.5
277.08612	0.7
279.10031	0.4
293.08038	0.8
295.09637	0.8
297.11081	0.5
299.01968	0.5
299.05640	0.4
299.08942	0.5
305.07996	0.5
307.09653	0.8
309.11322	0.6
313.07202	0.6
319.09918	0.6
325.10733	0.7
327.12347	1.2
337.10654	0.7
339.04932	1.4
339.12167	0.6
341.13898	0.7
351.05078	0.6
351.12323	1.5
355.11569	0.6
357.13251	11.0
357.99472	0.3
358.13525	0.7
369.05981	0.8
369.13290	1.8
387.14362	25.1
387.34216	0.4
388.14761	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03917	0.8
53.41941	0.4
55.01846	1.3
55.05496	0.4
61.32280	0.4
65.03929	2.7
66.04687	0.6
67.05499	1.9
68.53970	0.3
69.03423	0.7
69.07051	0.5
70.06579	0.9
70.84271	0.4
72.08125	0.6
78.04701	0.4
79.05462	1.7
79.66686	0.3
81.03396	0.9
81.07011	1.4
82.04179	0.9
84.08097	0.6
85.02863	1.8
91.05471	2.2
93.03378	0.5
93.06997	0.5
94.04184	3.1
95.04928	1.6
95.08647	0.5
97.02840	0.5
97.06486	1.0
103.05454	4.0
105.03366	0.8
105.06995	1.8
107.04963	2.1
108.02084	0.5
109.02872	1.0
109.06525	0.7
110.03638	1.1
111.04419	1.1
113.03982	0.4
115.05428	2.7
117.06951	2.5
118.04154	0.8
119.04916	0.5
119.08591	0.6
121.02803	0.7
121.06537	0.5
122.03631	9.3
122.04504	0.7
123.04411	1.7
123.40154	0.4
124.05188	0.6
125.05983	1.4
129.07028	0.7
131.04916	3.8
131.08586	0.5
132.05658	0.4
133.02902	0.4
133.06488	1.0
137.05957	100.0
138.06267	2.8
139.03886	4.3
141.05482	0.5
142.02574	0.8
143.04932	2.7
145.06445	2.9
148.05186	2.2
149.05940	1.1
151.03893	11.2
151.04996	0.7
155.06012	0.7
156.13847	0.9
157.14182	0.6
160.05119	0.5
161.06009	1.4
163.03851	2.8
163.07513	3.6
165.05457	0.8
165.09123	0.6
167.07016	12.0
171.04347	0.7
171.06511	1.2
173.05949	3.9
175.07571	1.9
177.05446	0.8
179.07097	0.4
181.04932	31.6
182.05275	1.6
187.07573	1.0
189.09125	0.8
191.06992	10.9
191.08696	0.6
191.10693	0.5
192.07466	0.5
193.04938	0.6
193.08560	1.1
195.06586	0.6
203.06963	2.6
205.08528	2.2
207.08096	0.7
215.07104	0.6
217.08443	0.4
219.08157	0.8
219.10196	1.4
221.09836	0.4
225.05461	0.7
229.66174	0.6
231.08127	0.4
233.08102	1.6
234.06967	0.5
235.07481	1.1
235.09715	2.9
237.05467	0.7
243.02817	0.4
244.03708	0.5
245.04488	1.6
247.07516	0.5
251.07130	0.6
252.07878	0.5
257.04691	0.5
261.03876	0.6
263.01917	0.5
265.08734	0.8
267.10294	0.7
271.06046	1.0
272.03064	2.6
273.03906	17.0
274.04318	1.1
277.08603	0.5
279.10193	0.6
283.06244	0.5
285.03967	1.0
285.07394	0.7
287.02197	0.5
287.05389	0.6
291.10147	0.5
293.07959	0.6
295.06161	1.0
295.09689	1.2
297.04016	1.4
297.11157	0.5
298.04712	0.7
299.01971	1.1
299.05597	2.0
299.08963	0.4
307.09729	1.2
309.11264	0.9
311.05621	0.9
311.12787	0.5
313.07086	1.3
313.10580	0.4
315.04913	2.7
323.05573	0.8
325.03369	0.5
325.10941	0.8
327.05017	1.8
327.12280	0.9
329.14090	0.5
339.05008	3.9
339.12311	0.5
341.06503	0.9
351.04877	1.0
351.12366	0.8
355.11847	1.4
357.06180	1.3
357.13266	12.2
358.13583	1.0
369.06088	2.7
369.13492	1.6
387.06778	2.1
387.10718	2.5
387.14557	24.5
387.34116	1.1
388.14813	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	387.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
54.43602	1.1
55.01853	1.6
56.55826	0.9
57.29557	0.9
58.40194	0.8
59.89508	0.8
65.03923	2.7
67.05510	1.8
69.07040	1.6
70.06591	1.2
70.82220	1.0
71.27639	1.2
71.27963	1.9
77.03909	2.3
78.04674	0.9
79.05466	3.8
81.03403	1.0
81.07021	1.8
85.02881	1.3
91.05467	10.0
92.02613	1.2
93.07013	1.4
94.04160	3.1
95.04951	11.9
95.98564	0.9
97.06504	5.6
102.04657	24.1
103.05452	15.7
105.03372	1.9
105.07011	9.8
107.04922	6.9
107.08550	1.0
109.06533	1.0
111.04412	1.6
112.60046	0.9
115.05448	5.3
116.84692	1.0
117.07003	4.7
118.04169	1.0
119.04928	11.5
119.08585	1.0
119.61140	0.9
121.02898	2.2
121.06464	3.3
122.03624	5.9
123.04401	13.0
124.05153	2.5
130.04126	31.8
131.04904	64.6
132.05650	3.0
133.02827	4.3
133.06462	6.8
135.04385	9.3
137.05952	94.1
138.06259	1.2
139.03877	14.7
143.04933	1.7
144.05664	1.3
145.06453	27.5
146.03613	2.7
147.00714	1.1
147.04375	45.8
148.01514	3.9
148.05054	2.8
149.02292	3.8
149.05969	3.9
150.06741	13.1
151.03905	5.1
151.07448	1.8
153.05440	1.4
155.06056	2.4
161.02310	4.0
161.05954	22.4
162.06734	100.0
163.03885	10.3
163.07484	10.8
165.01797	3.9
165.05527	1.4
165.07002	2.8
167.06993	7.2
173.06076	2.2
175.07538	2.1
177.05403	1.2
179.03378	13.4
179.07036	1.9
180.07788	2.8
181.04933	10.6
181.06429	1.6
185.47824	1.0
187.03947	1.3
187.07460	1.5
191.03394	1.5
191.06969	1.5
192.04013	1.4
193.01416	1.0
193.06540	1.9
193.08502	0.9
194.02081	1.4
194.07224	1.4
201.05426	1.7
203.07051	1.6
204.04189	1.2
207.02846	21.9
208.03587	1.6
209.04430	11.3
210.06735	2.2
217.08469	1.8
219.10110	6.6
221.05945	10.8
222.06532	2.1
225.09157	1.3
229.04912	3.1
233.08034	2.4
234.06696	1.4
235.09752	1.5
237.05342	2.5
238.06245	3.5
249.05463	7.7
250.06134	2.8
251.09192	1.1
253.08603	1.7
266.05719	5.3
273.03857	5.4
277.04874	4.0
277.08090	0.9
281.08008	2.8
294.05145	3.4
299.05521	1.1
307.09515	1.0
309.07513	2.2
322.04532	1.5
337.06995	76.7
338.07394	3.8
339.04962	2.0
354.07355	1.2
357.09540	5.0
357.13373	3.6
369.09503	10.2
369.13361	1.1
373.10809	1.1
387.10593	20.7
387.14563	8.2
388.10901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1067
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
51.02375	1.0
53.03930	1.5
55.01864	1.5
55.05489	1.0
57.03418	1.1
65.03922	3.5
67.05482	3.7
69.03395	1.2
69.07042	1.8
70.06560	1.8
71.04983	1.5
71.69905	0.6
72.08151	0.9
77.03913	1.1
79.05478	6.5
79.19027	0.6
81.03398	2.1
81.07045	4.8
83.04958	1.3
84.08121	1.1
85.02882	2.0
85.06524	1.1
89.03912	1.4
91.05468	11.7
92.02638	0.7
93.03377	1.3
93.07034	5.2
94.04157	3.0
95.04953	9.2
95.08579	2.3
97.02888	1.2
97.06524	5.2
97.71805	0.8
102.04670	3.2
103.05444	9.5
104.98167	0.7
105.03372	1.8
105.07003	5.4
107.04926	7.1
107.08569	2.0
109.02846	1.7
109.06515	0.9
109.10117	1.3
110.03630	1.1
111.04420	2.0
115.05436	2.9
117.03347	1.2
117.06982	3.3
118.04143	0.8
119.04919	6.3
119.08551	2.1
121.02833	1.7
121.06461	3.6
121.42791	0.7
122.02905	0.8
122.03648	9.4
123.04409	13.6
123.08062	1.6
124.05197	2.4
125.05999	1.6
129.10170	0.8
130.04123	6.1
131.04910	23.7
131.08560	1.2
133.02820	4.8
133.06477	2.3
133.10091	2.2
134.03609	1.1
135.04401	10.7
136.05144	1.1
137.05949	100.0
138.06284	1.0
139.03882	10.6
141.19209	0.6
142.02641	0.7
143.04878	1.9
144.05692	0.9
145.06482	6.1
146.03568	1.3
147.00793	1.3
147.04382	10.1
147.07936	1.2
147.11630	1.1
148.01524	2.6
148.05107	0.8
149.02371	3.5
149.05959	6.0
150.03085	0.9
150.06741	12.3
151.03879	7.5
151.04932	1.1
151.07553	3.6
153.05457	1.7
155.05978	0.8
157.06552	0.9
159.11720	0.9
160.05185	1.4
161.02316	4.3
161.05942	5.4
162.03078	1.3
162.06761	9.2
163.03891	7.1
163.07495	6.6
164.04614	0.9
165.01782	2.5
165.05431	2.6
165.06848	1.5
165.09042	0.9
166.02484	1.0
167.03351	0.9
167.07019	11.9
171.06458	0.9
173.05934	2.8
175.07481	2.6
175.11142	0.8
177.05415	1.1
178.02589	0.7
179.01938	1.2
179.03375	14.9
179.06979	1.7
179.08455	1.1
180.07819	2.4
181.04947	21.0
181.06409	0.9
181.08466	1.1
187.07451	1.2
189.05461	1.2
189.06898	0.9
190.02655	1.2
191.03329	1.5
191.06982	2.7
191.08546	1.1
193.04907	2.0
193.06564	1.1
193.08601	1.4
194.02072	2.0
201.05423	1.4
203.06931	2.2
205.04939	2.1
205.06670	1.3
205.08560	1.9
207.02853	24.2
207.08076	1.2
208.03490	0.9
209.04408	11.8
209.06131	1.3
217.08621	1.2
218.02055	2.4
219.02919	3.1
219.08153	1.2
219.10132	3.9
221.04332	2.6
221.06036	2.2
225.09195	0.8
233.04329	6.0
233.08061	2.8
234.06635	1.2
235.07512	3.1
235.09599	1.5
237.05415	0.7
237.09076	1.3
245.04514	3.0
247.07497	1.0
247.16924	1.3
248.08221	0.8
249.05357	2.3
249.09134	1.5
250.06296	1.7
251.07076	1.2
252.07687	1.5
259.07608	0.8
261.03891	1.0
263.05194	12.9
263.09323	1.1
265.08673	1.5
266.05713	0.9
267.10202	2.7
273.03900	10.3
274.04056	0.9
277.08530	1.4
278.05688	0.9
279.06357	1.1
283.09378	1.0
292.07294	0.8
293.07709	1.2
295.06097	1.7
295.09607	4.7
297.11078	1.3
299.05533	1.8
307.09641	2.3
309.07394	0.9
309.10907	1.1
312.09982	0.8
313.07031	1.1
323.05356	0.8
325.10663	1.3
327.12344	3.2
337.07004	4.7
337.10684	1.7
339.01517	0.7
339.04761	3.5
339.12210	1.4
341.13733	0.8
355.11481	0.9
357.09671	1.2
357.13358	6.1
369.05627	1.1
369.09540	1.7
369.13446	1.8
387.10629	66.4
387.14587	11.7
388.11169	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	386.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91065	0.3
55.05503	5.2
56.93518	0.3
58.06592	3.2
58.52480	0.3
67.05481	0.7
69.07045	0.7
69.71479	2.4
70.06567	0.7
71.08620	6.9
72.07771	0.5
72.08146	5.4
73.83388	0.3
79.05496	2.8
81.07038	1.4
83.04958	0.5
83.08610	2.4
84.08141	2.8
95.27812	0.3
97.10152	6.6
98.06036	1.1
99.08076	13.4
107.07944	0.4
107.08559	2.4
112.07631	0.5
112.11210	3.5
125.09607	5.3
128.10701	1.6
137.05940	2.3
139.03899	0.3
143.10696	0.7
149.45442	0.4
155.15395	0.9
156.13815	54.3
157.14137	1.7
163.93028	0.3
170.15385	3.9
181.04904	1.8
182.15393	3.3
196.16939	0.7
200.16428	38.0
201.16780	1.1
214.17953	3.2
227.21213	1.2
244.23720	0.4
271.23773	0.9
368.32666	2.0
369.30951	2.0
386.33710	100.0
387.14316	0.9
387.34052	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	387.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01865	2.2
57.03424	1.7
61.02882	0.2
68.99776	0.2
69.03408	0.4
70.34121	0.7
71.18649	0.1
72.47096	0.1
81.03417	1.2
85.02890	4.1
92.99718	0.2
97.02874	1.0
105.03329	0.2
107.01303	0.9
109.02859	1.6
115.05408	0.2
121.02863	0.9
121.03541	0.2
143.04871	0.2
153.00661	0.3
153.01811	4.9
165.06956	0.5
169.02840	1.5
171.04370	1.6
175.03871	0.3
181.06517	0.2
187.03934	0.8
189.05521	0.4
191.03362	0.4
193.06491	0.8
195.04396	0.4
197.05876	0.7
199.03848	0.6
201.05507	0.2
203.03285	0.4
205.06348	0.3
209.05936	1.0
211.03877	0.7
211.07498	0.3
213.05476	0.3
215.03365	1.7
217.04906	1.0
219.02869	2.0
221.05946	2.6
221.50729	0.2
224.04579	0.2
225.05431	2.0
227.03343	0.9
229.04959	0.6
231.02872	0.8
237.05486	1.6
239.03287	0.4
239.06972	1.4
241.04913	0.7
243.02815	1.1
243.06509	0.4
244.03514	0.5
245.00668	0.5
245.04430	4.1
249.05528	1.0
250.05937	0.2
251.03419	0.3
253.04944	1.6
254.05504	0.2
255.02809	0.6
255.06534	0.4
256.03503	0.3
257.04413	5.1
260.03165	1.5
261.03885	5.3
263.01840	3.4
265.04907	1.2
267.02921	0.4
267.06464	1.2
269.04352	1.4
270.05075	0.3
271.02368	1.8
271.05963	4.3
272.03033	0.2
273.03891	100.0
274.04248	3.5
277.04898	1.6
279.06458	0.3
281.04422	1.8
283.02942	0.2
283.06012	1.7
284.03040	0.5
285.03888	4.3
285.07507	3.1
287.01797	2.3
287.05460	2.1
293.04419	0.7
294.05075	0.4
295.05975	6.3
296.06314	0.3
297.01297	0.1
297.03870	6.0
298.04651	2.1
299.01816	5.8
299.05463	9.5
300.02362	0.3
301.03473	1.3
303.04886	1.3
305.04309	0.6
310.04721	1.3
311.05435	5.3
312.05899	0.2
313.03488	1.0
313.06985	16.2
314.07224	0.8
315.04974	0.4
321.03928	0.7
323.05457	6.2
324.06183	0.2
325.03400	1.6
325.07086	0.3
327.04974	4.7
328.05325	0.2
329.06586	0.3
333.03915	0.3
339.04947	32.1
340.05185	1.4
341.06509	4.9
351.04944	10.9
352.05136	0.4
357.06012	3.9
358.06296	0.2
367.64853	0.2
369.06006	17.1
370.06467	0.6
387.07059	18.7
388.07327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	63.0
57.03428	30.2
67.05503	98.9
69.07053	66.7
76.56316	27.1
79.05460	69.0
81.03383	37.7
81.07018	100.0
82.07361	45.1
83.08626	36.9
91.05453	68.5
93.07031	84.8
95.04939	74.0
95.08577	80.4
99.08057	42.6
105.07006	76.8
107.08582	57.0
108.08949	27.8
109.10177	42.7
117.06992	30.1
119.08549	62.2
123.08163	34.0
129.62137	28.2
133.10136	36.1
151.11140	46.9
179.86609	31.3
228.20975	36.6
229.45107	35.1
273.03906	72.8
277.21771	40.7
281.09570	28.8
338.69312	35.8
339.05014	33.2
387.25177	43.1
387.64590	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	385.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51479	2.0
53.03934	4.2
55.01859	14.0
55.05502	63.5
57.03424	6.6
65.03922	2.9
67.05495	48.1
69.03416	5.1
69.07060	22.5
69.32157	2.1
69.41182	7.8
69.41611	15.8
71.04988	7.9
74.00476	2.1
79.05479	49.1
81.03413	9.0
81.07045	42.7
83.04975	19.9
83.08607	36.8
85.02900	9.1
85.06538	4.5
91.05461	27.3
93.07030	52.7
95.04951	93.9
95.08585	28.3
97.06515	10.0
97.10161	24.6
99.04429	6.3
105.07008	34.8
107.04932	9.2
107.08575	47.6
109.06482	12.0
109.10134	15.1
111.04421	23.4
111.08071	7.9
117.07000	12.0
119.04976	2.4
119.08552	24.1
121.06487	11.2
121.10118	27.1
123.08066	9.0
123.11671	4.4
125.09600	27.1
129.06995	5.5
131.08536	23.9
133.10120	19.1
135.08043	7.6
135.11690	13.4
139.11185	3.6
141.06886	2.7
143.08551	4.9
145.10114	31.1
147.08055	6.8
147.11636	11.3
149.09602	48.4
151.11223	5.4
153.12729	4.8
157.10130	6.9
159.11617	14.0
161.09602	4.8
161.13240	5.6
163.11148	38.7
164.11540	2.5
165.12772	3.4
167.10760	3.4
169.10130	3.4
171.10332	2.7
171.11649	4.9
173.11697	3.2
173.13252	3.6
175.11118	3.8
177.12726	3.8
181.12242	7.0
183.11655	5.0
185.13289	3.5
187.11177	5.5
189.11176	31.8
191.10587	3.6
193.12129	3.4
199.14769	15.0
201.16324	5.5
205.12180	7.7
209.48622	2.1
211.13200	4.9
213.16582	3.0
223.11049	3.9
223.13240	80.5
224.13510	4.0
229.19452	3.2
239.17973	5.8
247.20586	2.5
257.18970	11.8
275.20020	100.0
276.20364	6.1
293.21051	89.4
294.21494	3.4
339.23294	2.4
349.23615	2.4
367.24673	42.8
367.29816	7.7
385.18530	2.7
385.24329	10.6
385.30637	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	385.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01871	12.8
55.05503	25.1
57.03428	11.0
62.29964	3.4
65.03933	5.4
67.05503	51.0
69.03428	11.4
69.07050	31.6
71.04986	4.3
71.71736	7.2
79.05482	45.7
79.70052	3.3
81.03410	8.9
81.07043	100.0
81.79668	3.6
83.04966	10.3
83.08616	19.8
85.06541	6.1
91.05449	44.8
93.07036	38.8
95.04965	22.7
95.08586	28.6
97.06528	15.3
97.10130	5.7
99.08085	4.9
105.07018	42.8
107.04947	14.9
107.08566	25.8
109.06490	35.4
109.10149	16.6
111.08084	13.0
117.06991	15.2
119.08563	36.9
121.02900	3.5
121.06510	8.3
121.10139	21.1
121.10855	3.5
123.08056	17.0
123.11710	8.0
125.05964	4.1
125.09655	5.3
129.06973	6.9
130.22816	3.6
131.08549	15.8
133.10094	21.8
135.08052	16.4
135.11639	8.8
137.09607	5.9
145.10101	22.9
147.11667	24.6
149.02322	85.0
149.03343	3.6
149.09615	12.6
149.13234	11.0
150.02599	6.4
151.07506	6.2
151.11179	7.7
157.10118	9.3
159.11705	11.2
161.09576	3.7
161.13258	4.8
163.11201	16.7
165.12668	7.4
167.10699	4.3
173.13240	4.9
175.11139	8.9
177.09048	17.5
177.12761	8.6
183.11584	3.8
185.13264	6.5
187.11078	4.3
193.04936	77.8
193.12262	6.3
194.05328	5.3
199.10948	3.5
205.12329	5.0
239.17882	6.3
247.20610	6.0
257.18982	11.2
275.20038	89.4
276.20340	4.4
293.21112	22.6
297.03964	6.5
313.12256	4.3
341.06537	11.4
349.23865	28.8
359.07706	5.7
367.24826	33.5
385.09064	78.4
385.23618	11.9
386.09470	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	385.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	20.0
55.05503	82.1
57.03432	13.7
57.07061	2.0
58.21991	1.5
59.05003	2.4
60.54062	1.7
61.47915	1.5
65.03926	4.9
67.05134	3.2
67.05495	58.7
68.05829	1.6
69.03421	8.3
69.07058	26.0
70.95387	1.9
70.95733	4.9
71.04982	6.4
71.08614	8.8
79.05482	51.7
81.03406	17.4
81.07046	47.1
82.07390	1.8
83.04965	30.4
83.08612	42.8
85.02878	6.0
85.06522	3.1
91.05463	32.6
93.07036	46.8
95.04955	91.5
95.08587	27.9
97.06510	11.7
97.10152	44.6
98.21368	2.2
99.04428	7.9
99.08077	13.4
105.07025	29.2
107.04951	11.6
107.08571	51.4
109.06509	9.4
109.10153	17.2
111.04419	28.0
111.08055	10.4
117.06985	11.7
119.08551	22.1
121.06479	10.6
121.10114	24.5
123.08043	8.3
123.11672	2.7
125.05976	5.2
125.09611	49.4
129.07024	4.5
131.08524	18.8
133.06471	3.4
133.10110	15.8
135.08051	10.6
135.11681	15.1
137.09636	3.4
139.11165	3.0
139.77168	1.7
141.09062	2.4
143.08563	3.9
145.10097	21.6
146.10570	2.0
147.08044	6.0
147.11642	14.6
149.09605	39.0
149.13252	3.2
151.11119	3.4
153.09044	8.5
153.12730	6.7
155.08504	2.1
159.11633	10.4
161.09557	3.8
161.13266	3.4
163.11165	49.0
165.12650	4.7
167.10651	3.5
169.10104	4.7
171.11694	2.3
173.09549	3.3
175.11259	2.4
177.12730	8.6
181.12175	7.1
187.11174	2.8
189.11191	36.5
189.12843	2.6
191.10672	6.6
191.14336	2.4
193.12206	5.6
195.13786	9.6
199.13258	2.3
205.12218	7.2
211.13164	3.2
223.01382	2.1
223.13266	63.7
224.13614	2.0
227.12685	9.2
229.19475	4.1
239.17877	2.6
245.13882	3.3
247.20633	4.9
257.18994	10.0
258.19186	1.8
275.20013	82.4
276.20282	5.1
283.15213	2.0
293.21066	100.0
294.21353	7.1
308.25784	6.6
317.44086	2.2
349.23648	2.9
367.24796	32.4
368.24887	2.5
385.12610	2.1
385.25836	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	385.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01862	17.5
55.05502	79.5
57.03431	15.1
57.07080	1.8
59.04990	2.3
61.88542	1.7
65.03916	4.0
67.05492	56.0
67.05849	3.3
69.03416	5.2
69.07057	23.6
70.36807	1.9
70.65485	5.7
71.04978	6.9
71.08634	13.9
77.70742	1.8
79.05480	51.6
81.03405	13.0
81.07043	52.0
83.04961	27.7
83.08607	43.2
85.02900	4.7
85.06534	6.1
87.04475	2.5
91.05467	31.2
93.07027	41.3
95.04955	70.5
95.08586	24.8
97.06525	10.1
97.09572	3.6
97.10153	40.5
99.04445	6.8
99.08067	12.6
105.07011	28.5
107.04935	13.4
107.08578	45.0
109.06512	8.9
109.10142	25.4
111.04424	26.9
111.08042	12.4
117.06995	11.1
119.08559	17.0
121.06484	8.2
121.10132	19.6
123.08057	7.0
123.11688	2.2
125.05988	2.2
125.09610	45.5
126.10033	2.4
129.06958	5.2
131.08569	12.9
133.10103	13.6
135.08012	11.1
135.11646	13.4
137.09586	3.9
139.07510	2.4
139.11159	5.0
141.06963	2.0
143.08513	2.4
143.10669	2.6
145.06517	2.7
145.10104	22.1
147.07930	3.7
147.11682	9.8
149.09595	32.6
149.13251	2.4
151.11128	4.4
153.09096	7.5
153.12672	9.0
155.08606	3.2
157.10155	2.2
159.11613	10.7
161.09578	4.3
161.13234	3.9
163.11148	42.9
165.12721	3.5
167.10622	3.8
169.10071	1.7
171.10123	4.7
171.11560	2.4
173.09669	3.0
173.11717	7.8
173.13170	3.4
175.11163	3.5
177.12723	7.6
181.12224	7.2
185.11777	2.0
187.11156	7.4
189.11185	46.6
191.10655	5.1
191.14508	1.8
193.12216	6.3
195.13820	5.3
205.12280	9.3
205.13979	1.9
211.13171	2.8
218.86371	1.8
223.13251	56.3
223.15338	3.6
224.13504	3.9
227.12778	10.1
229.14304	4.9
229.19460	4.2
231.17766	2.3
237.14870	1.9
243.87833	1.8
247.20529	5.1
257.18933	12.0
275.20007	89.3
276.20486	3.5
293.21060	100.0
294.21555	4.5
311.22192	3.3
343.85104	2.1
349.23749	2.6
367.24799	35.7
385.25778	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	385.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38076	1.6
53.03920	2.0
55.01845	6.0
55.05501	21.4
57.03417	6.5
64.23727	1.6
67.05495	30.9
69.03415	3.6
69.07062	13.2
71.04985	4.2
71.08619	10.0
71.32213	1.7
71.71623	3.0
79.05482	20.4
81.03388	7.8
81.07043	31.6
83.04980	9.2
83.08613	12.4
85.02863	5.4
85.06509	2.8
91.05454	25.2
93.07018	19.9
95.04948	19.6
95.08604	14.8
97.06505	3.6
97.10152	8.0
99.08066	5.7
105.07008	20.0
107.04924	6.9
107.08573	15.1
109.06483	8.5
109.10150	11.6
111.04378	1.7
111.08012	2.5
117.07020	5.2
119.08559	13.5
121.06439	8.1
121.10094	7.8
123.08056	3.1
123.11682	2.5
125.09589	4.7
129.06981	4.0
131.08571	6.9
133.06458	2.5
133.10120	18.5
135.08026	5.6
135.11656	4.1
137.09599	3.2
145.10086	4.8
147.11667	7.6
149.02156	2.4
149.09596	6.2
151.07422	2.8
151.11165	9.6
153.08997	2.0
157.10094	7.2
159.11636	2.0
163.11160	3.4
165.12756	5.5
175.11195	4.2
177.12769	3.3
181.12141	2.5
189.11142	6.4
189.12688	1.8
193.12193	13.6
211.13162	8.9
213.43423	1.7
223.13133	2.0
233.15366	1.9
247.20511	2.1
257.19064	1.8
264.98010	1.8
275.20132	11.8
285.16861	10.4
290.63962	1.6
293.21048	100.0
294.21353	2.8
367.24854	27.8
385.24561	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01860	6.7
55.05509	30.2
57.03439	12.6
57.07048	5.6
67.05495	46.4
69.03414	5.5
69.07058	18.5
70.05538	12.0
70.05952	3.4
71.04974	5.7
71.08607	10.8
79.05487	34.7
81.03394	12.2
81.07050	43.6
83.04964	15.1
83.08622	17.6
84.42031	2.4
85.02872	8.3
85.06524	8.5
91.05455	38.8
93.07041	27.9
95.04958	29.8
95.08583	21.7
97.02871	3.3
97.06522	7.3
97.10149	13.4
98.20796	3.6
99.08055	7.7
105.07024	31.2
106.07381	3.0
107.04936	8.2
107.08578	31.3
109.06498	10.2
109.10146	14.7
111.04435	4.9
111.08050	3.6
117.06996	8.7
119.08597	12.6
121.06477	8.7
121.10105	11.9
123.08067	4.9
123.11692	6.7
125.09617	8.0
127.15379	2.6
129.06941	7.8
131.08543	13.8
133.10117	28.7
135.08000	6.0
135.11641	5.7
137.09593	4.2
145.10110	6.9
147.11742	13.8
149.09569	8.5
149.13176	3.2
149.91661	2.5
151.11180	16.9
157.10091	11.9
159.11699	2.8
160.79784	3.0
162.32976	2.6
163.11183	8.1
165.12680	9.3
167.10565	3.8
169.12091	3.0
175.11157	10.9
177.12694	5.6
181.12317	3.9
183.11502	2.7
189.11241	3.8
193.12221	16.0
211.13275	15.3
215.14375	3.0
236.44316	2.8
247.20547	5.7
253.14255	4.5
257.19104	4.1
267.15863	4.8
274.92468	2.9
275.20078	19.4
285.16907	23.1
293.21075	100.0
294.21365	5.8
314.80420	3.1
349.23755	3.5
367.24759	38.2
385.25427	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65470	1.6
53.03927	4.1
55.01854	6.3
55.05239	2.3
55.05503	35.4
55.05766	3.6
57.03426	16.4
67.05493	29.9
69.03405	7.1
69.07060	17.2
71.04958	5.1
71.08618	17.9
71.71632	3.8
79.05480	29.0
81.03410	37.3
81.07042	32.6
83.04973	14.3
83.08604	29.7
85.02888	22.0
91.05467	23.2
93.07018	19.3
95.04955	24.1
95.08607	13.9
97.02882	1.9
97.06504	4.5
97.10154	16.6
99.08089	11.0
99.97928	1.7
105.07013	18.1
107.04935	8.4
107.08572	14.3
108.05748	1.8
109.06503	4.8
109.10130	7.1
111.04416	5.9
111.08059	10.1
113.05952	3.0
113.09589	2.1
117.06992	5.1
119.08572	13.3
120.74555	1.6
121.06490	7.4
121.10160	8.0
123.08060	3.2
123.11629	1.8
125.09602	12.0
129.06987	6.7
131.08556	10.1
133.06511	2.6
133.10101	7.4
135.08046	4.2
135.11635	3.3
137.09637	2.1
139.11130	1.9
142.07809	1.8
143.08531	1.8
145.10094	6.7
147.07986	4.3
147.11626	6.5
149.02274	1.7
149.09598	8.6
151.11176	3.1
153.09033	2.9
157.10181	9.5
159.07961	4.0
159.11719	3.1
161.09729	1.7
163.11148	6.8
165.12726	5.2
167.10635	4.1
169.10121	1.9
175.11145	11.6
179.10329	1.6
181.12239	3.1
189.11212	11.0
190.36349	1.5
190.54236	2.3
193.12215	35.2
195.13788	4.7
211.13266	32.5
223.13217	2.1
227.12833	3.6
267.15921	2.6
275.20029	15.4
285.16879	5.5
290.15277	1.7
293.21057	100.0
294.21350	4.6
367.24826	19.5
385.26053	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	385.2363
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
50.16904	3.8
51.53852	3.5
52.51170	3.9
53.03932	3.8
53.84212	3.6
55.05502	12.0
57.07057	5.5
59.04993	7.2
67.05495	12.3
69.03436	5.9
69.07046	4.8
71.04980	5.6
71.70349	6.0
79.05475	17.1
81.07042	20.2
83.04956	6.1
83.08618	7.5
91.05451	28.2
93.07030	27.0
95.04957	13.8
95.08571	21.7
95.33872	3.4
97.06517	11.3
99.04448	4.1
105.07018	47.5
107.08580	46.2
109.06504	15.8
109.10139	6.4
111.08064	17.8
116.06257	4.3
117.06999	18.5
119.08551	31.6
121.06485	8.6
121.10147	16.9
123.08054	31.1
125.09612	4.7
128.06221	6.4
129.07002	16.0
130.07785	8.2
131.08528	43.2
133.10092	14.5
135.08044	11.8
135.11674	34.6
137.05959	25.3
137.09602	5.1
141.06950	4.6
142.07761	5.2
143.08580	8.3
144.09279	9.2
145.06432	4.5
145.10126	48.5
147.08043	12.1
147.11688	8.0
149.09601	15.1
151.07526	86.7
155.08510	5.8
156.09361	6.7
157.10132	9.0
158.07246	4.4
159.08018	22.9
159.11676	49.2
161.09612	10.6
161.13254	4.1
162.10400	5.3
163.11159	29.3
165.09102	12.0
169.10121	6.2
171.11655	7.8
172.08763	5.4
173.09607	5.6
177.09119	14.4
177.12727	24.4
187.11157	26.3
189.12750	15.5
197.13234	6.0
199.11134	10.7
201.12782	4.0
203.14281	6.1
205.12253	52.3
207.13840	10.8
209.15359	4.0
217.12262	7.7
221.15425	10.9
231.13490	4.1
231.85667	3.8
233.15364	6.8
247.16922	4.0
286.19290	16.5
319.33472	3.7
329.17554	5.6
367.22583	15.2
385.23618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.05497	5.3
57.03441	6.6
61.02915	17.8
67.05493	4.4
69.03421	34.8
69.07045	5.1
69.76606	3.1
71.04980	8.5
73.02901	5.3
79.05489	7.5
79.77641	3.6
81.03425	19.1
81.07062	5.9
83.04977	12.4
84.14124	3.9
85.02895	76.1
91.05463	9.3
93.07041	14.9
93.69291	3.8
95.04897	3.8
95.08591	13.3
97.02879	24.0
97.06516	6.1
98.21458	9.9
105.07053	20.6
107.04924	4.6
107.08568	19.8
109.02882	8.9
109.10120	5.6
111.08016	4.8
117.06998	4.8
119.08585	34.8
121.06495	8.4
121.10140	17.5
123.08064	25.7
123.23286	3.4
127.03893	14.7
131.08571	4.6
133.06442	6.8
135.08031	55.8
135.11693	9.3
137.09631	21.5
142.07747	5.1
144.09254	5.7
145.04956	12.3
145.10136	29.2
147.08046	26.4
147.11688	9.4
149.06003	6.6
149.09607	18.3
149.13261	4.5
159.11696	27.6
160.08981	4.1
161.09653	11.3
161.13286	5.2
162.10361	5.4
163.11165	54.5
165.09103	73.3
167.07016	7.7
172.08789	6.7
175.11162	80.8
177.12724	59.8
181.12241	7.1
187.11221	28.6
189.12775	5.4
205.12250	100.0
206.12538	5.7
207.13774	10.8
223.13272	66.9
224.13670	4.2
229.34288	4.2
370.83612	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	385.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01854	8.1
55.05484	5.7
57.03409	9.9
61.02904	10.6
62.76867	3.1
67.05497	3.1
69.03419	25.8
69.07046	3.7
71.04967	9.3
71.16132	9.5
72.08128	4.1
79.05490	7.9
81.03397	15.3
81.07049	7.6
83.04952	8.1
84.04487	3.8
85.02889	72.9
86.19235	3.1
87.04464	4.5
91.05444	10.7
93.07017	14.1
95.04944	5.3
95.08584	13.2
97.02869	21.6
97.06534	5.9
99.04438	5.0
102.98242	3.8
105.07025	24.2
107.04952	3.3
107.08589	23.5
108.09793	3.0
109.02824	6.8
109.06514	5.1
111.08070	4.3
117.06992	10.3
119.08563	32.4
121.06466	13.2
121.10130	22.4
123.04343	3.8
123.08031	22.5
125.06050	3.8
127.03891	14.1
129.06982	5.9
131.08484	3.4
133.06458	6.2
133.10129	9.0
135.08029	55.0
135.11647	12.9
137.09595	21.4
144.09367	3.8
145.04890	11.4
145.06032	2.7
145.10089	28.3
147.08061	18.1
147.11668	5.9
149.05986	6.8
149.09578	15.9
149.13223	7.4
156.13869	6.4
157.10030	4.5
159.11682	22.5
160.08745	5.7
161.09581	7.9
161.13370	4.2
163.11156	67.6
165.09090	68.6
165.12720	3.3
167.07002	9.4
172.08832	3.4
175.11136	71.3
176.11552	3.7
177.12749	53.4
181.12234	5.5
187.11084	20.8
189.12712	5.0
195.13776	3.8
205.12212	100.0
206.12633	4.2
207.13800	13.4
223.13271	62.5
242.08533	4.7
294.50336	3.3
385.09103	4.9
385.18134	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	385.1276
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03924	1.0
55.01868	4.3
55.05502	9.3
57.03413	2.8
60.37395	0.8
62.71253	0.8
65.03918	2.1
67.05495	11.4
69.03413	1.7
69.07052	4.1
70.06592	0.8
71.04962	1.2
71.08607	2.3
71.70163	1.1
71.70567	0.9
79.05485	8.9
81.03391	3.3
81.07042	8.2
83.04953	3.4
83.08607	5.5
85.02895	1.5
85.06549	1.2
89.15282	0.9
91.05479	6.6
93.07030	7.1
93.09541	0.8
95.04946	5.8
95.08600	4.8
97.02891	1.1
97.06517	2.0
97.10184	4.5
98.86311	0.7
99.08059	2.0
105.07011	6.0
105.60082	0.8
107.04926	1.9
107.08559	6.3
109.06492	2.1
109.10139	3.1
110.03609	0.9
111.04422	4.9
111.08072	1.3
115.05430	0.9
117.07018	1.7
119.08555	2.1
121.02815	1.0
121.06452	1.8
121.10129	2.6
123.04390	1.1
123.08028	1.2
123.11684	1.3
125.06003	2.3
125.09608	3.4
126.12509	0.8
129.06993	2.0
131.04919	1.0
131.08543	1.9
133.06462	1.3
133.10121	2.4
135.08038	1.9
135.11691	2.7
137.05956	2.9
137.09604	0.8
138.03000	0.9
141.06934	1.3
143.04930	0.8
144.05650	0.9
145.06413	1.5
145.10110	3.2
147.08066	0.9
147.11678	1.2
149.09590	1.7
149.13232	1.0
151.03870	2.7
151.07564	1.1
151.11143	1.5
152.06091	0.8
153.05441	2.1
153.09094	0.8
157.10078	1.1
158.11153	0.9
159.11566	1.2
161.05894	1.7
163.11192	6.1
165.07001	4.0
165.09097	1.1
165.12759	0.9
166.07738	1.3
167.07001	1.9
167.08463	1.6
171.11650	0.9
175.07500	1.4
175.11250	1.3
177.05574	1.0
177.06984	1.3
177.12813	1.3
178.07750	3.4
179.08557	2.3
181.04903	1.3
181.06393	1.9
181.12207	2.0
182.07265	1.1
187.07545	1.0
187.11151	1.2
189.06984	1.7
189.11163	3.6
189.12679	1.0
190.07784	1.4
191.08530	3.3
193.06531	1.8
193.12210	1.1
194.07254	2.9
195.08020	2.3
195.13750	1.7
197.09480	1.2
201.05458	1.9
202.07774	2.0
203.08615	1.7
205.06497	2.3
206.07330	2.4
207.07959	3.9
208.08760	1.8
209.05989	1.4
209.09479	1.0
210.06757	1.9
211.07507	2.8
218.07260	3.0
219.08054	4.7
220.08786	1.8
221.05978	3.2
221.09537	1.6
222.06721	2.3
223.07503	3.0
223.13275	1.6
224.08275	1.5
225.09065	3.1
227.07008	1.0
227.12769	1.4
231.07993	2.0
233.05969	1.1
233.09531	1.6
234.06702	2.2
235.07500	7.9
236.08228	2.8
237.05482	1.1
237.09085	3.8
238.06183	2.4
239.06995	3.0
239.10634	1.3
240.07771	1.6
241.08492	0.9
246.06743	2.3
247.07538	4.4
248.08324	3.1
249.05418	1.8
249.09045	4.5
250.06158	2.1
250.09784	1.6
251.07018	4.6
251.10559	1.8
252.07706	2.2
253.08598	5.0
254.09366	1.7
261.09106	2.3
263.07019	3.9
263.10611	1.0
264.07779	3.6
265.08508	5.0
266.09354	1.2
267.06467	1.6
267.10147	4.8
268.07397	1.1
269.07916	1.2
274.06198	1.0
275.06985	1.9
275.20026	6.7
276.07739	1.2
277.05176	1.1
277.08554	3.4
278.09323	2.3
279.06799	1.5
279.10083	4.6
280.07361	1.1
281.08160	4.7
281.11099	1.0
282.08823	2.3
283.09677	1.8
291.06540	1.2
292.07492	1.1
293.08023	2.7
293.11282	0.8
293.21085	11.2
294.08731	1.5
295.09595	3.3
297.11264	1.8
307.06027	1.5
307.09598	25.7
308.10095	1.7
309.11108	4.9
310.08365	1.6
313.10687	1.1
313.79764	0.9
323.09064	6.1
325.10690	4.8
337.10522	1.9
339.12250	2.2
353.10110	1.3
355.11542	1.4
357.13080	2.4
367.12222	1.0
367.24576	3.0
385.12769	100.0
385.25754	2.5
386.13055	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1276
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01849	2.1
55.05484	1.7
55.29440	0.5
55.38935	0.5
57.03414	1.1
60.62108	0.5
65.03922	1.4
67.05494	2.9
69.03381	0.6
69.07044	1.3
70.06568	1.1
71.04965	0.6
71.05373	0.6
71.08614	0.6
74.10942	0.5
74.81986	0.5
79.05459	1.9
81.03374	0.8
81.07034	2.9
83.04961	0.9
83.08565	0.9
85.02900	0.8
91.05469	2.5
93.07010	2.3
95.01286	0.6
95.04939	2.0
95.08579	1.5
97.06505	0.8
97.10140	1.1
99.08115	0.6
103.05428	0.6
105.07004	2.0
107.06520	0.5
107.08557	1.2
109.06470	1.0
109.10130	0.7
110.03607	1.2
111.04401	2.0
111.08083	0.8
115.05442	1.4
117.06953	0.8
119.04995	0.6
119.08543	1.1
121.02848	1.2
121.06475	1.1
121.10081	1.0
123.04420	0.5
125.05952	1.9
125.09611	1.1
129.06932	0.7
131.04933	0.8
131.08476	0.7
133.06479	0.6
133.10083	0.9
137.05969	1.2
139.11179	0.6
144.05716	0.7
145.06480	1.8
147.11626	0.7
149.02336	1.8
151.03877	1.2
152.06189	1.2
153.05426	2.4
153.06889	0.7
157.06474	0.7
159.08070	0.8
159.11671	0.7
161.05974	1.0
161.09531	0.6
163.11201	1.0
165.06955	3.0
166.07843	0.7
167.07001	1.6
167.08549	1.5
175.07512	0.7
176.06107	0.7
177.06941	1.0
178.07712	2.8
179.07170	0.6
179.08496	3.0
181.04930	0.8
181.06454	1.6
182.07217	0.7
183.07932	1.1
185.05901	0.6
189.06935	1.8
189.11142	1.0
190.07745	2.1
191.06955	1.0
191.08525	3.5
193.04900	1.6
193.06476	1.6
193.12184	0.8
194.07233	2.2
195.07980	2.1
196.08795	1.0
197.05971	0.8
197.09497	0.8
198.06850	0.6
201.05341	0.6
202.07713	1.0
203.08492	1.0
204.11104	0.5
205.06477	2.5
206.07210	2.0
207.08104	3.8
208.08797	1.5
209.05928	1.2
209.09537	1.5
210.06715	0.8
211.07504	3.5
212.08234	1.1
217.06371	0.5
217.08496	0.6
217.92456	0.5
218.07167	2.5
219.08026	3.8
220.08823	1.7
221.05972	2.1
221.09592	1.6
222.06747	3.3
223.07591	2.5
224.08253	2.0
225.09062	1.5
226.06194	0.8
231.08058	1.6
232.08815	1.2
233.05981	1.3
233.09517	1.3
234.06694	2.0
235.07491	6.9
236.08292	3.3
237.05379	1.1
237.08990	3.2
238.06219	1.5
238.09851	0.9
239.06934	2.7
239.10489	0.7
240.07697	0.7
241.08527	1.0
246.06786	0.8
247.07411	3.6
248.08405	1.1
249.05415	1.7
249.09026	4.2
250.06258	1.9
250.09721	1.4
251.06946	5.1
251.10654	0.9
252.07826	2.6
253.04962	0.6
253.08594	3.9
254.09291	1.9
255.10168	1.0
259.07565	0.8
260.08365	0.9
261.05286	0.7
261.09094	1.5
262.06201	1.0
263.06992	3.8
263.10217	0.7
264.07733	3.5
265.08566	5.0
266.09357	1.1
267.06717	0.8
267.10147	3.6
268.07236	0.7
274.06274	1.0
275.06915	1.4
275.20105	1.6
276.07938	1.8
277.08670	2.8
278.09311	2.4
279.06635	1.6
279.10144	5.3
280.07196	1.7
281.08063	4.6
282.08810	1.6
283.09628	0.9
291.06393	0.6
291.10086	1.4
292.07242	1.8
293.08026	2.1
293.21088	1.1
294.08905	1.2
295.09491	3.8
296.10184	0.9
296.88617	0.6
297.07993	0.6
297.11197	1.7
299.09216	0.9
305.08029	0.7
306.08820	0.9
307.06348	0.8
307.09573	24.1
308.10114	2.6
309.07675	1.0
309.11154	3.1
310.08307	1.2
311.09106	1.2
313.10538	1.3
319.09567	0.7
321.11203	0.6
323.09024	4.9
324.09857	1.0
325.10614	4.5
329.13742	0.6
335.09039	0.7
337.10669	2.2
339.12180	2.6
341.10056	0.9
341.45026	0.5
353.10086	1.8
355.11667	2.1
357.13419	2.5
367.11746	1.6
385.12759	100.0
386.13034	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	384.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01848	0.6
55.05520	2.2
57.74558	0.3
58.06591	3.4
65.05607	0.3
67.05478	1.6
69.03402	0.6
69.07053	0.7
70.06572	1.2
71.01895	1.0
71.04945	0.3
71.08620	11.9
72.08144	7.4
79.05482	2.2
81.07045	5.9
82.06573	0.5
83.04963	0.5
83.08603	0.5
84.04478	1.0
84.08129	2.9
85.02872	0.7
91.05448	0.8
93.07026	1.0
95.04903	0.5
95.08593	4.3
97.06512	3.5
97.10138	0.5
98.06038	2.8
98.21400	0.4
99.08076	20.0
100.07600	0.5
100.08388	0.6
103.05526	0.4
105.07009	1.5
107.04970	0.4
108.08080	0.4
109.10155	0.4
110.06017	0.5
111.08021	0.4
112.11207	3.4
115.16502	0.4
119.08608	0.4
120.08104	0.7
121.02906	0.4
123.08044	2.7
127.15919	0.3
128.10693	3.4
129.13878	0.4
133.06425	0.7
133.10071	0.6
137.05962	0.7
141.09084	1.2
151.03946	0.6
152.10617	2.7
152.29764	0.3
154.12225	0.7
155.15401	1.3
156.13814	98.4
157.14142	2.6
158.00319	0.4
161.05930	0.8
163.11099	0.4
163.27493	0.3
167.07034	1.2
170.15385	1.0
180.13806	10.8
181.14165	0.6
182.15320	0.7
191.11740	0.4
193.08626	0.5
194.15450	1.1
198.14915	0.5
201.05428	0.5
205.08517	1.0
208.16876	0.6
212.16425	4.6
226.18007	1.4
227.21182	0.6
234.06630	0.4
251.21266	0.4
265.07837	0.4
267.20398	0.5
269.22076	0.6
286.24792	0.5
292.10187	0.5
349.28433	0.5
366.31122	16.6
367.30121	1.5
384.32147	100.0
385.32449	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	384.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01866	13.2
55.05504	48.1
56.05000	2.4
57.03422	8.2
58.06580	3.6
62.06078	5.1
63.13782	2.4
64.27804	2.4
65.03929	5.2
67.05495	50.0
68.05827	5.6
69.03407	8.8
69.07057	87.1
70.06581	5.5
70.07384	4.1
71.04971	8.5
71.71375	4.3
72.04484	3.7
79.05483	50.2
80.05011	12.5
80.05804	5.4
81.03394	4.7
81.07043	61.8
82.07365	6.7
83.04959	11.4
83.08603	28.6
84.08121	3.1
85.02901	2.4
85.06534	3.1
86.09689	2.3
91.05463	32.1
92.05811	4.2
93.07028	36.9
94.06577	16.5
94.07362	2.3
95.04943	10.6
95.07323	3.4
95.08589	28.2
96.05256	2.9
96.08076	2.9
96.08910	2.5
97.02892	2.8
97.06528	15.4
97.10154	48.7
99.08043	3.6
99.56865	2.2
100.08403	2.9
102.33275	2.1
105.07015	33.6
106.06570	3.4
106.07311	3.9
107.04930	8.8
107.08579	51.3
108.08115	5.5
108.08886	5.5
109.06494	11.0
109.10119	17.7
111.04409	3.8
111.08062	6.3
112.04704	2.7
114.09149	50.8
115.07559	3.1
117.06995	12.2
119.08551	24.6
120.08881	4.8
121.02850	3.1
121.06468	5.5
121.10143	12.1
123.08047	3.9
123.11687	4.1
125.09610	49.3
128.06107	2.6
129.07019	4.5
131.08527	11.8
132.10185	84.6
133.10110	19.4
135.08035	17.0
135.11697	8.5
143.08598	3.3
145.10110	14.2
147.08017	2.6
147.11642	12.5
148.08377	2.8
149.02321	100.0
149.03389	4.1
149.09560	11.5
151.11174	3.4
153.09065	11.7
157.10117	4.7
157.12236	6.2
159.11693	11.1
161.09567	5.1
161.13235	7.9
163.11150	8.1
169.09995	2.7
171.11642	5.7
173.11725	4.0
173.13208	7.4
175.11101	3.9
177.12747	5.1
179.14218	2.5
181.05141	2.8
181.12082	3.2
184.87047	2.4
186.14809	4.5
187.11195	5.0
189.11183	4.3
193.04930	77.6
193.06630	4.3
197.13176	3.1
203.12746	42.1
204.13785	7.2
235.07329	2.7
236.16510	12.3
247.20441	2.8
257.18991	7.7
267.06448	2.8
274.18848	5.2
274.21564	2.9
275.20071	40.4
289.21677	11.5
291.19388	3.0
292.19818	19.2
293.21262	3.1
297.03799	4.4
306.24225	85.0
307.22644	7.2
313.06931	3.3
341.06476	9.0
348.22568	2.4
359.07465	4.3
384.11475	8.6
384.22754	4.4
385.09061	82.7
385.13855	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.05499	17.6
57.07059	8.0
65.03936	5.0
67.05490	30.3
69.07063	29.2
69.72102	32.0
79.05468	28.2
80.52339	4.3
81.07045	71.2
83.08614	14.4
85.06538	16.4
91.05463	24.8
93.07023	47.5
95.08585	82.1
97.06554	4.6
98.21556	4.3
105.07013	68.6
107.08580	60.7
109.10126	47.3
117.07030	7.2
117.81438	3.6
119.08561	100.0
121.10121	47.7
123.11691	24.7
131.08559	20.2
133.10097	44.4
135.11665	36.3
137.13231	8.9
143.08534	6.1
145.10123	12.6
147.11681	32.6
149.13232	32.7
157.10080	5.3
159.11647	28.0
161.13226	53.6
163.14801	9.1
165.48936	4.3
167.65659	3.7
171.11708	7.7
173.12035	3.7
173.13260	25.4
175.14755	23.7
187.14751	6.2
189.16370	13.5
191.14449	4.5
191.17906	96.0
191.19504	7.8
197.13304	5.5
201.16347	12.6
203.17894	21.9
205.19533	12.9
213.16321	6.0
217.19502	10.9
227.17905	8.8
241.19543	5.8
245.18950	4.7
291.42578	4.3
363.82831	4.5
365.31906	24.8
383.25494	11.0
383.32947	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	6.9
60.72146	2.6
64.15391	2.4
67.05485	4.4
69.54686	21.6
70.06574	6.9
71.08616	60.8
72.08127	4.5
79.05458	3.1
81.07026	4.2
84.04488	3.8
84.08112	4.2
85.02869	12.3
87.04408	2.6
89.06017	5.4
91.05434	5.2
95.01273	6.9
98.20731	3.9
99.08071	71.8
113.02319	2.5
117.09100	9.9
120.08078	3.0
125.09455	2.5
128.10696	15.8
130.76654	2.6
137.05901	3.6
141.01776	13.8
151.03757	2.5
156.13820	13.2
173.11700	100.0
174.03868	3.2
174.12013	3.0
191.12762	43.9
226.17903	6.0
273.63257	2.4
384.24365	4.8
384.32263	34.2
385.12833	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	383.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
55.01854	6.4
55.05504	87.0
57.03195	2.0
57.03431	22.3
57.07067	11.5
65.03913	3.8
67.05495	66.4
69.03416	3.0
69.07056	21.5
71.04973	14.4
71.08617	14.3
71.70296	2.5
76.38338	1.8
79.05482	33.4
81.03404	11.7
81.07044	71.9
83.04955	7.4
83.08607	100.0
84.08920	2.1
85.06508	6.8
85.10166	15.7
87.35119	1.7
91.04916	3.1
91.05469	40.4
93.07029	43.2
95.04956	15.1
95.08587	46.1
97.01138	1.6
97.06525	20.0
97.10133	6.1
99.08089	13.6
101.09644	2.2
105.07021	29.8
107.04918	5.1
107.08580	21.7
109.06456	6.4
109.10137	26.0
111.08081	8.9
113.09624	20.1
115.11197	22.1
117.07001	6.0
119.08557	24.1
121.06493	2.4
121.10114	14.2
122.41478	2.1
123.08036	8.2
123.11682	5.9
125.09603	5.1
129.06979	6.5
131.08549	9.1
133.10123	18.7
135.08000	3.2
135.11685	14.6
137.09605	4.8
137.13248	1.8
139.11209	4.2
143.08527	4.8
145.10091	7.3
147.11653	23.0
149.09552	5.9
149.13228	7.7
151.11189	17.1
153.12729	4.9
154.57249	2.1
155.10612	1.9
157.10106	7.4
159.11671	7.4
161.09673	2.0
161.13200	8.8
163.11145	6.8
163.14787	3.7
165.12729	33.9
167.14275	4.6
169.12221	2.7
171.11639	5.7
173.11748	4.4
173.13168	4.0
173.82710	1.8
175.11189	4.2
175.14799	4.5
179.14314	7.7
181.12225	2.2
185.13243	5.8
189.12817	2.9
193.12224	2.3
199.14792	8.3
201.16309	4.1
207.13771	2.2
231.21057	5.0
235.16982	2.7
241.19441	5.6
249.22095	7.9
259.20541	5.4
277.21594	64.5
278.21912	2.9
280.68912	2.0
295.22629	6.2
309.24216	27.6
310.24539	2.5
333.24063	2.2
346.78659	2.0
351.25287	8.5
352.57019	2.4
361.00278	2.0
365.28207	8.3
383.23682	3.3
383.27972	41.9
384.28067	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	383.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01865	6.2
55.05504	26.1
57.03428	25.5
57.07062	27.2
59.04998	1.9
65.03918	2.9
67.05491	55.4
69.07053	24.6
69.39930	20.9
71.04978	24.3
71.08610	4.3
79.05479	37.9
81.03401	15.4
81.07040	47.4
83.04955	9.3
83.08585	10.5
85.06528	2.8
85.10162	70.7
91.05461	35.3
93.07026	32.4
93.07583	2.7
95.04955	26.5
95.05534	3.5
95.08603	38.3
97.06515	11.2
97.10157	8.0
99.08060	3.2
100.39003	2.0
105.07003	29.7
107.04927	17.3
107.08586	21.3
109.06485	9.2
109.10124	22.1
111.08054	5.5
113.09628	75.9
117.06982	4.5
119.08551	16.9
121.06503	3.2
121.10132	16.7
123.08067	13.5
123.11703	4.8
125.09578	2.7
129.06976	4.9
131.08559	13.6
133.10121	12.2
135.11641	6.2
137.09601	4.2
141.12744	2.6
143.08549	3.7
145.10136	7.8
147.11668	20.5
149.09590	19.6
149.10672	2.5
149.13261	4.5
151.11154	7.4
155.10603	2.5
157.10179	3.5
159.11711	2.7
161.13223	4.9
163.11143	13.1
165.12721	78.7
166.12982	2.0
171.11668	4.7
173.11774	2.9
173.13226	2.6
175.11197	6.1
175.14818	2.9
179.14221	11.2
181.12241	3.7
193.15912	2.8
201.16333	3.9
207.13739	3.9
217.19749	1.9
221.15445	2.3
231.20993	3.5
238.68317	2.2
241.19511	5.2
249.22218	4.9
258.39200	1.9
259.20462	10.3
277.21561	100.0
278.21890	4.8
283.93661	2.0
295.22644	17.7
305.44241	1.9
309.24228	2.8
333.24335	4.3
351.25223	21.5
383.27921	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01857	1.9
55.05503	7.8
57.07062	6.3
59.04988	3.1
65.03941	1.5
67.05499	14.2
69.03429	6.4
69.07046	3.9
69.64886	9.9
71.04978	4.6
79.05482	18.6
81.07041	18.0
83.04961	2.2
83.08608	1.8
85.06521	3.5
85.71796	1.2
90.01079	2.2
91.05466	33.1
93.07030	56.8
94.07358	1.3
95.04956	15.7
95.08598	21.1
97.06517	7.7
103.05457	1.8
105.06336	2.3
105.07017	41.9
107.04932	3.0
107.08586	23.5
109.06493	14.1
109.10152	9.5
111.08057	4.4
115.05415	1.5
117.02142	23.0
117.07024	6.1
119.08560	30.8
121.06522	8.0
121.10122	22.5
123.08037	15.3
123.11681	1.9
128.06200	4.7
129.06998	10.4
130.07762	2.1
131.08557	13.4
133.06451	3.7
133.10114	14.8
135.08025	11.7
135.11691	3.1
137.09604	5.5
141.06963	9.4
142.07777	11.8
143.08562	10.4
145.05272	24.6
145.06396	2.7
145.10103	20.7
147.08025	14.5
147.11658	8.7
149.09587	14.4
151.07518	21.1
153.06973	3.3
153.09100	2.7
154.07738	21.7
155.08517	3.5
156.09344	4.7
157.10126	22.9
159.08034	4.5
159.11700	7.9
160.08812	2.1
161.09633	13.9
161.13248	5.3
163.11179	3.2
165.09106	22.5
167.08583	1.6
168.09229	1.7
169.10121	22.7
170.10881	3.2
171.01868	2.4
171.03186	25.2
171.11667	3.2
173.09634	4.1
173.13219	5.5
175.11162	12.8
175.14787	3.8
177.09059	4.3
179.08551	3.2
181.10068	2.0
181.12148	2.0
182.07245	2.5
183.11646	2.9
185.13222	13.4
187.11185	2.5
187.14751	1.6
188.11932	1.4
189.12680	9.3
191.14230	2.0
193.10172	2.1
194.10963	2.1
195.11766	2.8
197.09595	100.0
197.13303	3.9
199.11179	1.9
200.05856	4.6
201.12755	4.5
203.14305	17.9
207.11827	2.3
207.13803	5.3
209.13432	3.1
209.15289	2.7
211.11215	1.5
211.14653	2.1
213.12831	2.2
215.14296	4.5
219.13689	3.4
221.15324	39.8
222.15706	1.9
227.14220	2.1
231.13681	2.1
233.15349	3.7
234.16063	7.4
237.14717	1.5
243.13786	1.9
260.45334	1.3
286.19238	3.1
287.20044	5.9
299.19980	3.4
303.19458	3.7
333.43701	1.2
365.24789	6.6
366.25485	1.9
383.25757	39.8
384.14691	85.2
384.25974	4.4
409.50925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
54.73635	2.4
55.01857	2.7
55.05492	11.6
57.03441	2.7
57.07063	12.6
58.69075	2.5
59.04991	6.9
62.79511	2.7
66.63044	2.8
67.02779	3.2
67.05493	33.2
69.03415	16.5
69.07049	10.0
69.55094	14.2
69.55522	10.3
71.04993	6.0
79.05485	30.5
81.07046	44.0
83.04961	7.6
85.06527	9.2
91.05473	36.4
93.07033	99.9
95.04962	33.6
95.08589	35.8
97.06499	13.9
97.89721	2.6
103.05492	3.7
105.07018	80.1
107.08572	45.8
109.06499	25.2
109.10117	21.3
111.04420	4.4
111.08150	6.4
117.06961	15.8
118.52699	2.8
119.08556	55.3
121.06489	15.5
121.10132	60.0
123.08063	32.7
128.06203	6.8
129.06996	9.4
130.07776	6.3
131.08530	30.5
133.06471	11.0
133.10112	35.5
135.08025	33.5
135.11653	7.9
137.05901	3.5
137.09599	16.0
139.07504	3.0
141.07018	5.2
142.07771	15.7
143.08549	30.7
144.09296	3.2
145.06386	4.9
145.10101	40.8
146.07237	2.7
147.08023	31.2
147.11673	16.2
148.08846	3.5
149.09604	25.6
151.07518	37.9
155.08531	7.2
156.09306	5.1
157.10089	41.8
159.08057	8.6
159.11719	15.6
160.11887	2.8
161.09613	19.9
161.13239	8.8
163.11154	8.7
165.06999	3.8
165.09094	56.5
167.48851	3.3
169.10074	5.9
170.10873	6.3
171.11691	10.3
173.09596	10.0
173.11728	3.1
173.13258	9.0
175.11134	20.9
175.14810	9.0
177.09099	10.3
181.12244	4.7
182.10866	4.6
183.11662	6.1
185.13223	15.7
187.11172	6.5
187.14836	3.7
188.98894	2.8
189.12766	11.9
191.14223	4.2
193.10098	5.3
195.07994	2.8
195.11760	6.2
197.13194	5.1
199.11256	4.9
201.12698	11.6
203.14296	38.3
207.11989	3.2
207.13828	13.8
209.13232	3.3
209.15327	5.1
215.14186	7.0
219.13794	6.2
221.15329	100.0
222.15665	3.9
223.14742	2.9
225.12775	4.1
229.12054	3.4
231.13802	4.0
233.15356	6.7
234.16083	10.9
257.88455	3.1
281.19125	5.5
286.19193	10.9
287.19897	9.1
299.19946	6.0
299.33716	3.2
300.20428	3.5
303.19418	14.3
311.76013	2.9
323.08469	3.5
347.23730	3.9
365.24673	11.8
383.25748	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2573
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03924	9.7
55.01857	4.4
55.05508	23.2
57.03425	5.0
57.07043	6.3
57.14763	3.7
59.04976	8.6
64.41734	3.4
67.05495	37.8
67.31727	3.9
69.03410	14.7
69.07066	8.2
69.49418	6.2
69.49831	29.4
71.04967	7.4
75.88576	3.6
79.05466	32.3
81.07045	38.5
82.25130	3.5
83.04978	7.5
83.08616	7.9
85.06532	8.2
91.05466	53.9
93.07029	100.0
95.04963	33.4
95.08588	44.1
97.06499	12.9
97.10113	3.8
98.20733	7.4
105.07012	84.8
105.62059	3.4
107.04831	4.0
107.08587	46.8
109.06499	26.8
109.10137	24.1
111.08096	8.9
112.45335	3.9
115.05476	5.1
117.07001	9.6
119.08563	57.7
121.06464	13.2
121.10117	54.7
123.08076	35.5
128.06195	6.1
129.06987	12.1
129.87411	3.5
130.07744	6.4
131.08542	36.7
133.06470	10.6
133.10094	34.9
133.34476	3.7
135.08017	29.1
135.11617	6.7
137.05956	4.2
137.09586	14.6
141.06956	4.0
142.07739	27.6
143.08560	24.8
145.06404	6.3
145.10109	46.8
146.07272	5.0
147.08026	26.5
147.11650	26.6
149.09610	23.6
151.07510	41.8
153.09091	4.7
155.08548	7.3
156.09294	10.6
157.10117	53.8
159.07988	10.6
159.11682	19.1
160.08839	6.1
161.09586	23.4
161.13179	5.8
163.11148	9.9
165.09081	45.5
169.10146	9.1
170.10889	7.7
171.11620	6.4
173.09592	11.9
173.13181	6.8
175.11133	21.6
175.14789	9.3
175.99400	3.6
177.09064	14.6
183.11694	8.1
185.13223	21.2
187.11195	6.7
189.12709	14.3
194.10887	4.8
195.11673	6.1
197.13210	7.9
199.11156	6.0
201.12744	12.7
203.14304	31.8
207.11794	4.1
207.13730	14.9
209.13246	4.9
209.15291	6.6
209.97009	3.2
213.12871	5.1
215.14317	12.0
216.14978	3.7
219.13832	4.1
221.15318	71.8
223.14832	3.9
225.12640	5.4
227.14359	7.9
229.12199	4.5
231.13669	4.7
233.15355	8.8
234.16121	14.2
239.17757	4.6
263.17981	5.3
281.19125	5.2
286.19278	5.5
287.20087	17.6
293.09909	3.5
299.20004	5.1
303.19513	5.0
365.24835	10.8
383.25766	67.2
384.26077	3.4
399.86945	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	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01857	14.4
55.05502	31.2
57.03429	42.9
65.03919	3.5
67.05496	72.7
69.03406	10.6
69.06687	4.1
69.07059	67.7
69.48750	31.9
71.04987	35.1
71.08628	3.0
73.02904	12.5
73.06541	3.0
79.05481	66.8
81.03397	9.8
81.07043	100.0
83.04972	22.2
83.08630	15.1
85.02898	10.6
85.06544	8.1
91.05461	56.1
93.07030	58.4
95.04969	16.9
95.08589	55.8
97.06517	42.5
97.10170	8.0
99.08089	33.5
105.07006	42.6
107.04935	17.5
107.08579	38.3
109.06495	37.2
109.10153	29.3
110.12664	3.4
111.04424	11.9
111.08052	8.9
113.05998	7.1
115.07551	69.6
117.07011	23.6
119.04877	2.8
119.08572	31.7
121.06496	9.0
121.10128	14.0
123.08076	9.7
125.09582	4.8
127.07542	11.4
129.06978	8.7
131.07040	6.4
131.08548	27.4
132.17162	2.9
133.06522	3.8
133.10114	26.2
135.08034	16.0
135.11668	12.5
137.09602	5.5
143.08556	11.1
145.10107	21.6
147.08055	15.1
147.11662	9.5
149.09622	9.6
149.13234	5.2
151.11165	8.9
156.13820	36.1
157.10106	7.9
159.07985	4.0
159.11671	11.9
161.09572	7.5
163.11130	7.0
169.10120	6.7
171.11662	7.5
173.09645	3.9
173.13290	3.1
175.11156	7.7
175.14873	2.9
177.12689	4.1
181.12155	5.5
183.11800	3.5
185.13248	5.5
187.11124	4.7
189.11198	3.5
189.12729	4.8
191.10692	3.4
191.14458	3.2
195.13705	3.4
199.11200	3.8
199.14821	4.2
201.12708	5.4
217.15820	12.5
221.15463	4.3
223.13266	5.0
226.27086	3.2
233.15247	4.0
245.18935	5.0
249.14952	4.7
253.14487	3.3
255.17410	8.9
263.19855	4.8
269.17435	4.5
271.15369	4.8
273.18472	50.4
291.19479	65.0
292.19821	4.3
297.16998	7.9
347.22134	6.1
365.23126	23.6
383.24271	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	18.3
55.05239	3.4
55.05502	59.1
57.03429	27.9
67.05494	66.7
68.05822	2.5
69.03405	6.4
69.07062	34.3
71.04960	8.3
71.09853	6.3
79.05021	3.4
79.05479	58.0
81.03409	20.3
81.07043	100.0
83.04599	2.7
83.04986	27.7
83.08607	30.3
85.02877	6.8
85.06509	5.5
91.05457	29.2
93.07026	43.9
94.07356	2.5
95.04939	20.3
95.08595	35.8
97.06528	10.7
97.10151	43.7
98.10470	2.6
99.04425	5.6
99.08052	5.0
100.11230	3.1
105.07018	26.1
107.04943	9.6
107.08574	31.7
109.06499	12.4
109.10136	20.4
111.04429	21.1
111.08060	12.9
112.04781	3.2
115.05486	2.7
117.06981	11.4
119.08566	24.4
121.06476	7.9
121.10133	17.0
123.08047	41.2
123.11633	4.2
125.05953	3.8
125.09626	41.7
126.09921	2.6
128.30919	2.4
129.06993	4.2
131.08531	15.3
133.06473	3.4
133.10107	11.3
135.08005	11.8
135.11707	11.8
137.09610	13.0
143.08513	5.4
143.10632	2.3
145.10106	14.4
147.08020	8.0
147.11644	9.3
149.09596	10.3
153.09131	4.4
153.12698	9.4
157.10100	7.6
159.11586	3.7
161.09570	3.5
163.11157	24.9
165.09105	8.7
171.10068	5.4
175.11122	6.7
181.10506	2.1
181.12184	13.6
189.11185	47.0
189.12846	3.9
191.10605	8.2
193.12206	8.8
223.13243	6.1
227.12732	15.2
245.18915	3.4
255.17389	4.0
273.18475	26.3
291.19489	50.2
309.20596	5.0
347.22015	2.8
365.23080	10.1
383.24274	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01862	16.9
55.05504	44.8
57.03426	19.9
57.07076	1.8
59.04977	1.8
65.03925	2.7
66.04740	1.3
67.05494	55.9
68.05871	1.6
69.03424	6.1
69.07056	27.4
69.89938	5.5
69.90371	3.2
71.04984	6.6
71.87582	1.4
79.05481	55.1
80.05842	1.8
81.03398	15.3
81.07044	100.0
82.07378	3.1
83.04968	26.6
83.08610	25.1
85.02895	5.7
85.06545	5.0
91.05459	30.6
93.07031	43.0
94.07341	1.6
95.04950	23.3
95.08597	28.0
97.06525	15.5
97.10153	41.8
98.10497	1.8
99.04419	4.4
99.08086	6.3
103.05463	1.7
105.07016	26.0
107.04939	11.7
107.08578	28.1
107.09249	2.5
109.02841	1.9
109.06474	8.4
109.10136	14.5
111.04425	30.3
111.08067	13.9
113.05984	2.5
115.05447	1.6
115.07552	2.0
117.07004	14.1
119.08569	25.6
121.06471	10.3
121.10117	14.7
123.08052	46.7
123.11693	2.1
125.05976	2.1
125.09613	37.5
126.22762	1.4
127.07568	2.1
129.06952	8.4
131.08572	13.2
133.06519	2.4
133.10100	11.3
135.08063	11.2
135.11668	14.9
137.09572	9.1
139.11189	3.1
143.08546	5.8
145.10110	15.3
147.08002	7.6
147.11647	8.3
149.09569	11.3
149.13240	2.7
151.11183	1.7
153.09106	5.5
153.12730	8.6
157.06487	2.2
157.10130	5.5
159.08076	2.2
159.11661	5.0
161.09619	5.5
163.11157	25.5
165.09105	10.6
171.10280	2.9
171.11679	2.8
173.09604	3.2
173.11833	1.3
173.13309	1.9
175.11188	6.0
177.12836	2.1
179.10724	2.4
181.12172	12.0
184.89655	1.5
185.13197	1.8
189.11191	39.9
189.12848	2.6
191.10623	11.5
193.12245	7.7
198.19850	1.4
199.14970	2.1
201.12849	1.8
205.12166	1.7
209.11623	3.3
217.15855	3.3
221.11525	1.8
223.13249	6.8
227.12723	15.9
227.17894	2.7
227.57343	1.6
243.12201	1.5
245.13757	2.2
245.18950	5.6
248.08537	1.9
255.17479	2.9
259.99265	1.7
263.20050	2.4
273.18445	32.2
274.18835	2.1
283.15338	3.5
291.19510	70.7
292.19843	4.8
294.57104	1.4
309.20599	3.8
347.22214	2.0
363.39804	1.6
365.23126	20.3
372.88589	1.7
383.08887	15.4
383.14722	2.6
383.24219	23.6
384.09061	2.1
386.55930	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78630	1.5
53.03921	5.6
54.34182	1.5
55.01864	21.9
55.05238	3.4
55.05502	59.3
57.03425	27.9
59.04990	3.1
64.81095	1.6
65.03929	3.2
67.05138	3.2
67.05492	58.2
69.03409	6.8
69.07059	37.4
69.40646	17.7
69.41048	2.1
71.04981	8.3
79.05479	64.8
81.03406	20.3
81.07042	100.0
82.07363	3.5
83.04971	27.2
83.08604	25.4
85.02876	5.2
85.06517	3.5
91.05461	33.1
91.20572	1.8
93.06443	1.8
93.07025	44.3
95.04946	17.1
95.08591	29.4
97.06509	13.7
97.10153	49.0
99.04438	4.5
99.08079	11.5
105.07021	26.1
107.04934	10.1
107.08582	34.1
109.06496	11.2
109.10132	22.4
111.04421	23.4
111.08048	10.8
113.05986	3.8
115.05431	2.2
115.07542	6.3
117.07011	13.3
119.08567	21.1
121.06445	8.3
121.10138	16.7
121.73792	1.6
123.08049	52.5
123.11708	3.4
124.08385	2.5
125.05949	2.0
125.09605	50.6
126.09863	1.7
127.07563	2.9
129.06989	6.7
130.07761	2.2
131.08528	15.1
133.06499	3.2
133.10110	13.0
135.08046	12.7
135.11676	13.1
137.09598	11.1
139.11134	3.8
141.09152	2.4
143.08551	5.3
143.10693	2.6
145.10112	14.6
147.08020	7.8
147.11618	8.9
149.09560	9.5
149.13266	2.0
153.09084	5.8
153.12718	7.8
155.08542	1.9
157.10139	8.5
159.08058	2.3
159.11684	4.6
161.09575	4.6
161.13289	3.0
162.02180	2.0
163.11151	26.3
165.09146	9.2
165.12720	2.0
171.10144	6.6
171.11595	3.9
173.09621	5.1
175.11169	6.3
177.12740	4.6
181.12169	14.8
185.09579	1.9
186.32658	1.6
189.11192	56.3
190.11592	2.1
191.10594	11.4
193.12181	10.5
193.55064	2.0
208.83551	1.7
209.11766	4.8
211.13213	2.0
217.15877	2.8
223.13255	4.6
227.12750	16.3
227.17899	4.4
245.18881	4.1
249.14790	2.6
255.17363	5.5
263.20007	2.8
273.18469	28.6
284.93738	1.6
291.19495	65.5
292.19882	4.9
309.20499	3.6
347.22006	2.8
365.23166	10.2
383.24243	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	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
54.36816	1.5
55.01849	6.4
55.05500	24.4
57.03423	9.5
57.07053	5.6
59.04973	2.1
60.35304	1.4
65.03915	2.8
67.05492	100.0
69.03413	4.4
69.07050	17.7
71.04973	6.4
71.61990	2.6
72.25086	1.5
73.47447	1.5
79.05475	29.9
81.03385	4.0
81.07040	53.2
82.07341	1.9
82.92464	1.6
83.04949	7.6
83.08601	12.7
85.06515	6.7
85.10130	1.8
91.05457	42.0
92.05778	1.8
93.06448	2.2
93.07024	33.8
95.04938	13.6
95.08585	25.1
97.06509	5.3
97.10140	3.3
99.08073	1.6
105.07007	34.5
107.04945	7.6
107.07912	2.5
107.08572	32.1
109.06488	8.9
109.10134	66.3
111.04395	1.8
111.08045	7.4
117.07006	8.2
119.08571	24.8
121.06478	6.9
121.10125	12.0
123.04373	1.7
123.08067	9.8
123.11636	4.9
125.09588	3.5
129.06946	7.8
131.08527	14.8
133.06473	7.0
133.10109	30.4
133.11111	1.1
134.10429	1.8
135.07973	9.0
135.11639	6.3
137.05952	3.4
137.09612	4.0
137.46556	1.9
139.07529	2.5
141.15567	1.4
142.07761	1.6
143.08578	7.9
145.06425	1.8
145.10117	11.9
147.08044	8.3
147.11620	9.1
149.09596	13.5
149.13153	1.8
151.07561	3.9
151.11142	14.2
155.10631	3.3
157.10155	8.5
159.08017	5.7
159.11632	4.8
161.09576	8.4
161.13203	4.0
163.11151	3.9
165.09088	3.6
165.12755	2.1
169.10054	2.1
169.12175	2.4
171.11688	4.3
173.11694	15.3
173.13171	3.1
175.11122	4.0
175.14713	2.9
177.09007	7.5
177.12688	3.3
179.10634	2.0
181.12079	2.3
185.13226	1.9
187.11092	3.1
187.14758	2.7
189.12708	3.9
193.12138	3.4
201.12752	1.7
201.16411	1.9
203.14276	3.5
207.13710	2.4
221.13278	1.6
221.15340	6.8
233.15221	2.2
234.16104	2.7
239.64249	1.7
245.18901	9.6
249.41341	1.5
251.12755	2.1
253.14311	10.0
255.17468	3.5
263.20007	5.5
269.13687	4.3
271.15341	7.0
273.18481	26.1
274.18753	2.1
278.03247	1.6
284.80838	1.6
291.19513	30.8
292.19806	1.7
309.20630	2.0
332.58493	1.6
347.22174	2.2
365.23090	26.0
366.23538	1.7
383.24362	24.4
383.29257	3.3
384.24652	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.7
55.05505	13.3
57.03424	9.3
57.07056	1.5
59.04979	5.2
61.75961	1.4
65.03933	2.3
67.05494	100.0
68.05862	1.8
69.03417	1.3
69.07045	5.0
69.54401	11.8
71.04974	3.5
79.05481	10.1
81.07045	25.0
83.04952	2.0
83.08602	10.8
85.06519	6.9
91.05455	11.4
93.07024	10.4
95.04958	11.8
95.08593	10.7
95.90851	1.3
97.06486	3.1
97.10159	4.3
98.21457	2.6
99.04429	1.1
105.07036	6.1
107.04927	3.3
107.08579	9.0
108.08958	1.2
109.06510	10.8
109.10137	64.6
110.10448	1.6
111.08067	3.1
113.05991	13.6
117.06998	3.0
119.08567	11.0
121.06465	2.3
121.10105	3.7
123.08038	2.2
123.11709	1.3
125.09631	2.8
129.06963	1.6
131.08534	5.0
133.06567	1.4
133.10127	3.0
135.08037	9.9
135.11722	2.3
137.09599	4.1
143.08556	2.7
145.10147	3.2
147.08032	2.4
147.11697	1.3
148.58008	1.2
149.09584	2.0
155.10674	2.8
157.10104	2.7
159.11719	2.2
161.09587	2.5
163.11125	2.9
169.10246	1.3
171.11784	1.2
173.11707	21.3
175.11107	2.3
179.10623	1.3
189.11208	2.6
217.15857	2.5
225.90501	1.2
245.18997	1.8
248.98886	1.2
273.18509	9.1
291.19519	19.3
365.23364	6.1
383.19299	1.9
383.24249	34.6
384.24625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	11.4
55.01849	13.3
55.05502	44.6
57.03424	19.2
61.88715	3.4
64.25780	3.3
67.05141	6.2
67.05494	99.0
69.03400	6.2
69.07063	37.6
69.71423	26.0
71.04973	8.8
79.05476	67.2
81.03387	10.5
81.07045	97.9
83.04968	13.2
83.08601	23.1
85.02915	3.7
85.06533	6.4
91.05460	58.9
93.07030	55.0
95.04957	22.1
95.08584	42.1
97.06530	8.6
97.10123	12.7
99.08052	5.5
105.07022	54.2
106.29293	3.7
107.04935	13.9
107.08583	49.3
109.06487	9.1
109.10136	62.4
111.04411	8.5
111.08066	11.1
112.87283	4.0
117.06991	13.2
119.08552	33.5
121.06483	11.1
121.10102	31.3
123.04393	3.5
123.08033	11.9
123.11633	5.2
125.05895	3.7
125.09605	14.0
129.06972	9.8
131.08571	28.6
133.06461	16.5
133.10091	41.4
134.10432	4.3
135.08038	18.8
135.11658	13.4
137.05870	5.2
137.09608	7.9
139.07562	6.6
143.08534	8.3
145.06459	5.6
145.10059	21.7
147.08040	11.5
147.11688	11.7
149.09560	20.2
149.13327	5.7
151.11098	22.3
153.09134	4.6
157.10107	13.5
159.08052	7.7
159.11641	12.4
161.09581	12.6
163.11183	7.3
165.08983	4.1
165.12819	4.4
169.10017	3.8
169.12276	5.1
171.11603	10.2
173.09581	4.0
173.11676	10.6
173.13136	4.6
175.11121	9.9
175.14786	4.7
177.09117	12.2
177.12723	4.1
179.10718	3.5
181.12161	6.5
183.11667	3.9
189.11128	8.7
189.12689	4.2
189.16454	4.9
193.12262	6.1
201.16391	6.9
203.17943	4.3
215.17857	5.6
223.13391	8.8
227.12706	7.1
243.06447	3.6
245.19006	11.7
250.18820	3.9
251.12764	3.9
253.14352	8.1
255.17490	4.1
263.19962	8.6
269.13843	8.2
271.15298	8.3
273.18451	39.0
274.18781	5.2
285.16840	4.6
286.16733	3.8
291.19489	100.0
292.19897	6.4
309.20801	4.3
365.23184	73.5
366.23547	7.8
383.24194	21.2
383.29321	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	383.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01861	11.6
55.05498	46.1
55.42827	2.1
57.03426	14.8
59.04992	2.7
67.05493	48.8
69.03419	5.7
69.07050	25.9
70.55855	3.7
70.56251	4.6
71.04973	4.6
79.05474	49.7
81.03396	14.3
81.07038	60.1
82.07391	2.1
83.04954	10.2
83.08598	23.0
85.02894	6.2
85.06517	2.8
91.05463	34.3
93.07030	31.5
95.04947	18.9
95.08596	22.9
97.02859	2.6
97.06522	6.8
97.10153	34.4
105.03416	2.6
105.07011	20.3
107.04957	7.3
107.08566	22.9
109.06486	6.0
109.10129	20.0
111.04433	6.1
111.08069	9.1
117.06976	10.7
119.08542	25.7
120.07410	2.2
121.06499	7.8
121.10105	11.1
123.04399	2.2
123.08065	22.4
123.11708	3.4
125.09592	27.7
129.06987	6.4
131.08533	14.3
133.06465	3.8
133.10100	11.7
135.08047	8.9
135.11665	4.1
137.05971	3.8
137.09592	7.8
139.11157	2.8
143.08495	4.6
145.10104	10.3
147.08022	11.7
147.11658	4.8
149.09525	4.7
153.09090	4.6
155.32729	2.1
157.10115	8.7
159.11639	5.4
161.09560	7.3
163.11185	7.8
165.09102	6.5
171.10226	3.1
171.11656	3.8
173.09689	3.2
173.11580	2.9
175.11256	3.1
180.46750	2.1
181.12151	2.9
185.13158	2.7
189.11198	27.9
193.12125	11.0
211.13220	3.5
223.13257	8.8
227.12721	15.6
227.17882	3.3
245.13853	5.8
249.14909	3.2
255.17311	3.2
263.20123	2.5
273.18442	28.9
277.17886	2.6
291.19482	100.0
292.19852	6.8
365.23184	40.2
366.23550	3.0
383.24136	17.9
394.17645	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12283	0.5
53.03935	0.9
55.01614	1.1
55.01847	5.3
55.05504	7.3
57.03424	5.1
57.07067	3.0
59.05005	0.6
59.17163	0.5
60.04498	1.1
67.05142	1.0
67.05491	15.4
69.07050	7.5
70.07169	2.1
71.04971	2.4
71.08625	0.8
79.05482	8.6
81.03398	0.6
81.07043	30.1
82.07375	1.2
83.04959	3.1
83.08589	3.7
85.06532	1.5
85.10155	1.9
86.09669	1.4
91.05456	5.7
93.07027	7.4
95.04953	2.7
95.08583	8.8
97.06509	2.3
97.10143	1.5
99.08054	0.6
105.07005	4.9
106.07319	0.8
107.04932	1.0
107.08569	6.2
109.06506	11.7
109.10135	8.7
111.04425	17.2
111.08064	2.3
112.07571	0.7
113.09647	3.4
117.07010	1.4
119.08553	6.8
121.06477	1.1
121.10130	6.0
123.08044	3.8
123.11681	2.4
125.05968	7.2
125.09628	1.1
128.10704	1.2
129.06982	0.9
129.11086	0.6
131.08516	2.9
133.10103	6.6
135.08031	3.2
135.11664	3.5
137.05951	100.0
137.13220	2.3
138.06294	1.9
139.07516	1.4
143.08546	1.7
145.10088	2.0
147.08035	1.7
147.11673	7.2
149.09576	4.4
149.13222	2.0
151.07506	2.8
151.11125	1.2
155.10718	0.6
157.10088	2.3
159.11659	1.6
161.09593	6.0
161.13232	3.5
163.11143	3.6
163.14784	0.7
165.09128	3.0
165.12746	3.7
171.11703	2.0
173.11736	1.9
173.13150	0.6
175.11174	5.3
175.14777	1.1
177.92432	0.6
179.10704	2.1
181.12135	1.1
181.14320	0.7
185.13208	0.8
189.12703	1.6
193.12190	2.0
203.17938	6.2
205.19484	0.7
213.16330	2.8
221.18994	1.8
223.14803	0.8
224.12802	1.5
231.17419	10.2
241.15871	2.1
249.18475	12.8
250.19054	0.6
277.17960	68.4
277.21375	4.4
278.18292	3.7
291.19717	0.6
295.19016	16.2
295.22229	0.9
296.19373	1.1
305.23203	0.8
337.21133	0.7
351.21606	4.1
351.25302	0.8
365.25165	1.3
383.23938	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	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01863	4.3
55.05501	22.3
56.96537	3.0
57.03438	11.1
57.07066	2.7
61.02898	3.6
62.90504	2.1
67.05497	23.3
69.03421	18.9
69.07061	24.6
70.06577	3.5
71.01318	2.0
71.04972	18.2
72.08144	5.9
73.02908	3.8
79.05486	33.9
81.03397	9.2
81.07041	64.3
82.07384	3.4
83.04957	12.3
83.08603	8.6
84.08141	3.9
85.02900	16.8
85.06511	3.3
87.04465	2.3
91.05463	28.8
93.07030	42.4
95.04961	18.2
95.08594	38.9
97.02879	58.4
97.06516	17.4
97.10153	6.8
98.97493	2.7
99.04440	7.0
99.08071	8.2
100.07603	2.9
100.11266	6.3
103.03945	4.8
103.05455	2.8
105.07012	43.3
107.04946	4.7
107.08577	44.6
109.02869	3.6
109.06499	12.3
109.10133	28.6
111.04418	5.8
111.08085	4.1
115.03916	5.1
116.98636	3.6
117.07035	10.8
117.19857	2.0
119.04903	2.9
119.08565	37.2
121.06503	13.0
121.10139	24.0
123.04353	2.2
123.08042	10.3
123.11694	10.7
125.05984	9.0
125.09602	8.1
127.11189	13.4
128.06271	2.3
129.06985	7.4
129.10207	2.3
131.04958	2.5
131.08545	19.9
133.06456	4.2
133.10123	24.5
135.08049	10.5
135.11681	22.2
137.05942	6.1
137.09592	6.5
139.07458	2.6
141.06993	4.0
142.07706	3.7
143.06993	2.7
143.08524	10.4
144.09296	3.2
145.06494	6.6
145.10094	31.5
147.08003	10.0
147.11665	18.9
149.09584	5.9
149.13229	7.9
151.11197	4.2
153.12730	7.8
155.08531	3.5
156.09206	2.7
156.13823	3.5
157.10060	12.2
158.07356	2.4
158.99687	2.6
159.08034	5.3
159.11659	26.1
161.06012	2.2
161.09557	6.4
161.13223	8.5
163.07498	3.5
163.11156	7.0
165.09206	2.7
167.02214	2.2
169.10054	3.8
171.08040	3.1
171.11618	7.6
173.09578	15.1
173.13255	9.1
175.11148	4.4
175.14786	7.0
177.00728	2.3
177.09087	2.3
177.12776	4.0
177.16264	2.7
181.10182	2.8
182.15355	2.3
183.11658	5.4
185.09691	2.5
185.13254	4.5
187.11163	8.1
187.14807	7.0
189.12698	5.3
189.16322	3.9
191.10637	4.2
193.15854	6.5
195.17448	2.3
197.13231	5.5
199.14871	2.5
201.12769	4.3
201.16379	4.0
203.14374	4.2
203.17953	6.5
205.12180	4.8
205.15932	2.4
207.11728	2.6
215.10675	5.8
215.14320	5.2
221.18961	4.3
227.17830	4.2
231.08026	2.9
243.08131	2.5
244.09471	2.5
245.18985	5.9
247.07547	4.5
248.08311	3.9
255.17377	2.3
263.10562	3.8
271.05942	6.3
273.18369	5.4
277.08722	3.3
287.05667	2.7
291.10205	4.3
291.19510	12.4
292.07315	2.5
293.13242	7.7
299.05450	100.0
299.19989	2.9
300.05878	13.5
302.13815	2.9
315.04819	5.4
322.11786	2.3
329.21091	2.2
341.06583	3.0
342.11826	2.1
347.22034	5.9
351.12366	3.2
353.10092	2.7
365.23117	8.6
383.07071	4.7
383.11182	7.2
383.15204	9.7
383.20590	10.6
383.24274	9.9
384.11554	3.4
384.21063	2.3
384.31927	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	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12060	4.3
56.96576	20.4
57.03414	5.5
61.02915	8.0
69.03421	16.3
70.06571	3.7
70.35074	3.5
71.04927	3.9
71.69941	4.6
71.70314	4.4
72.27190	3.4
73.02898	6.5
75.50055	3.2
81.03391	11.4
83.44460	3.4
85.02894	45.8
85.58240	3.0
87.04501	3.3
94.06548	5.1
95.12308	3.1
97.02859	14.9
98.97569	10.1
110.07152	12.9
116.98576	11.8
118.06467	4.4
120.27299	3.2
127.03902	11.1
128.98642	4.2
130.06506	63.0
132.04449	18.2
132.08086	4.5
134.99635	6.9
136.06136	6.7
144.08051	24.4
145.07594	20.3
146.05983	14.1
146.99612	7.9
148.07568	6.9
153.52072	4.0
154.06480	4.6
157.07584	64.0
158.05974	52.7
158.99568	4.9
159.09137	6.3
161.01117	4.1
169.07625	10.1
171.09135	6.2
172.07516	11.1
174.05492	5.4
175.08650	62.6
177.00577	4.2
181.07669	4.9
183.09148	15.6
185.07068	13.0
196.07523	5.1
199.08659	10.2
200.07016	20.8
203.08119	100.0
204.08463	5.9
209.07103	7.7
217.09691	38.7
221.07002	7.1
221.09186	45.9
227.08131	10.7
228.06490	6.2
237.02673	3.6
239.02150	3.9
240.06940	3.5
245.09126	24.3
247.36719	3.5
251.08829	9.0
263.10248	35.2
341.07736	3.6
347.12265	9.9
348.10602	7.9
365.13507	21.8
383.06540	4.0
383.14285	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	383.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
70.06585	6.9
71.69142	1.4
72.08124	2.1
84.08126	2.3
85.02876	1.5
86.09702	1.5
86.75740	0.9
91.05434	1.6
133.10123	2.5
161.09587	2.9
165.05450	6.6
169.09698	1.9
174.72392	1.1
175.11156	1.5
177.05380	1.2
188.08202	1.2
197.28024	0.9
203.10628	12.3
221.11780	1.5
238.05257	10.2
366.11179	1.9
383.13049	100.0
384.13440	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	382.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03387	1.5
53.03932	3.1
55.01863	5.8
55.05498	18.7
56.05017	3.4
57.03428	5.7
58.06588	34.8
59.05000	1.6
60.04512	64.1
67.05494	32.0
68.05023	16.4
69.06683	2.8
69.07057	37.7
70.88554	5.1
71.04974	6.5
72.04522	1.8
72.08140	2.1
77.42275	1.5
79.05476	22.2
79.99435	1.7
80.05036	2.2
81.03394	4.6
81.07045	27.7
82.06561	6.3
83.04973	5.2
83.08601	7.1
84.08111	5.6
85.06546	2.9
86.09692	35.2
88.07585	3.2
91.05459	14.8
93.07026	21.2
95.04941	6.7
95.08598	12.2
96.08112	81.1
97.06511	41.4
97.08911	3.0
97.10128	2.0
99.08083	2.2
100.07603	12.8
105.07028	13.8
107.04949	2.9
107.08588	10.9
108.08103	4.6
109.06487	6.5
109.10143	12.1
111.08067	4.2
112.07608	8.5
114.09154	33.7
115.07591	2.0
117.06999	6.9
119.08561	11.3
121.06485	4.2
121.10159	8.5
123.08021	3.5
128.10693	16.2
129.06995	2.5
131.08554	9.5
133.10135	6.9
135.08028	9.0
135.11613	2.6
137.05956	3.4
137.09625	4.5
138.09099	5.1
143.08501	3.3
145.10120	5.5
147.08022	4.7
147.11728	3.1
148.11218	1.7
149.09598	5.8
149.13242	2.1
151.11125	3.2
156.10175	100.0
157.10390	2.9
159.11633	4.9
161.09579	2.4
163.11121	2.6
171.11665	2.6
175.11142	3.9
177.12735	4.5
197.13206	2.1
245.18971	5.4
246.71291	1.8
255.17398	5.0
261.53238	1.6
272.20068	2.6
273.18442	39.7
275.94681	1.6
277.17911	2.7
278.21228	2.1
287.20010	2.2
290.21194	3.9
291.19522	8.1
304.22653	5.8
305.21091	15.7
322.23737	13.5
330.06348	1.7
332.22269	2.2
364.24588	8.3
382.25873	37.5
383.24503	5.3
390.82248	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	8.9
55.05504	32.3
57.03418	7.1
57.07049	3.3
58.06597	13.8
59.05000	2.9
60.04519	43.6
62.62626	2.3
66.02114	2.2
67.05494	50.5
68.05010	3.1
69.03416	5.8
69.07054	27.0
69.49916	13.1
69.50344	7.7
70.06566	5.1
71.04978	14.0
72.08145	2.8
76.04532	1.9
77.96702	1.9
79.05480	29.1
80.05014	3.1
81.03384	5.9
81.07040	39.4
82.06580	4.3
83.04972	4.5
83.08605	16.8
84.08122	16.1
85.06511	4.0
86.09694	54.4
88.07607	6.1
91.05471	19.5
92.31548	2.4
92.99931	2.1
93.07030	28.0
94.06560	3.4
95.04950	10.0
95.08591	19.7
96.08105	18.0
97.06511	14.5
97.10163	21.7
98.20752	4.9
100.07596	5.5
105.07025	15.2
106.00085	2.2
107.04947	7.7
107.08585	18.0
108.08115	4.5
109.06487	11.9
109.10143	20.1
110.06013	2.9
111.04401	3.3
111.08050	7.0
112.07590	45.8
113.05966	6.4
114.09145	9.5
117.06979	8.1
119.08556	11.6
121.06495	6.0
121.10125	14.9
122.09668	14.1
123.08061	9.6
125.09595	19.7
128.06192	3.5
128.10698	47.2
129.06973	5.2
131.08508	11.8
133.06461	3.6
133.10101	7.1
134.09605	2.3
135.08034	12.7
135.11700	6.7
136.11201	2.3
137.09566	3.8
138.12735	4.2
143.08531	3.9
145.06427	2.2
145.10130	9.5
147.08041	4.2
147.11650	2.9
149.09586	5.7
149.13235	5.2
153.09029	2.7
154.08609	12.2
156.10164	18.3
157.10101	3.8
159.11760	4.1
161.09648	3.3
163.11211	5.5
173.11743	4.9
173.13243	2.7
177.12772	7.3
180.13744	11.3
185.13187	2.2
187.11182	3.9
189.11156	3.8
203.12753	13.0
217.15889	3.0
227.12698	2.8
228.89186	2.2
255.17331	4.2
273.18417	12.3
276.98068	2.0
291.19385	15.6
304.22684	7.9
305.21179	14.4
322.23767	21.9
332.21948	3.0
364.24744	24.7
365.23193	4.0
382.25848	100.0
383.25555	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	381.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67964	1.3
53.03922	2.3
55.01848	1.7
55.05504	7.6
55.83007	1.4
57.07063	2.1
67.05489	16.9
69.07063	15.2
70.96436	2.1
70.96777	3.5
71.04984	2.1
75.62098	1.6
79.05489	11.4
81.07053	32.3
82.52212	1.5
83.08605	5.9
85.06536	10.5
89.25302	1.5
91.05465	19.1
93.07036	31.2
95.04954	2.8
95.08594	52.4
97.06522	3.7
97.10146	2.8
101.86491	1.7
103.05470	1.8
105.07017	50.5
107.08585	53.2
109.06494	3.1
109.10152	19.5
117.06995	8.3
119.08571	68.4
120.08907	1.6
121.09250	3.3
121.10132	54.9
123.08018	3.1
123.11700	8.4
125.09608	1.8
129.07005	2.8
131.08546	20.1
133.10117	45.8
135.08008	2.4
135.11682	17.8
137.13182	2.1
139.11148	10.6
142.07823	1.8
143.08553	5.8
144.09280	2.7
145.10106	26.8
147.10565	3.2
147.11667	32.4
149.13240	24.6
155.08542	3.3
157.10112	9.2
158.10909	2.0
159.11687	31.9
161.09625	2.7
161.13240	41.1
163.14832	9.3
165.12756	3.3
169.10083	2.0
171.11670	9.1
172.12393	2.2
173.13246	28.4
175.14806	37.9
177.12723	4.1
177.16356	6.3
178.45087	1.6
179.14398	1.6
181.57799	1.8
183.11647	2.5
185.11798	1.6
185.13223	8.7
187.14813	20.4
189.16362	14.6
191.14296	4.8
191.18015	1.7
193.15926	1.8
197.13210	3.2
199.14783	8.1
201.14497	2.2
201.16348	34.7
203.17865	11.1
205.15762	2.7
207.11464	1.6
213.16295	5.0
215.17882	11.0
217.15839	2.1
217.19484	5.6
219.17401	3.8
225.16409	2.1
227.17952	3.3
229.19730	2.2
233.19023	3.9
239.17886	2.5
241.19521	3.7
243.20978	2.7
245.19106	1.7
253.19400	2.2
255.21001	2.9
285.22110	2.5
293.22733	1.7
363.30447	20.1
381.31467	100.0
382.31845	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	381.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.3
57.03414	2.8
57.07055	4.4
57.60130	2.2
59.04987	2.8
62.29489	2.2
65.03924	2.4
66.92970	2.3
67.05497	25.4
69.07060	19.7
69.38014	22.2
71.04987	3.8
75.35098	2.6
79.05485	20.3
81.06591	4.3
81.07039	42.7
83.08601	8.1
83.52066	1.9
85.06539	15.1
91.05473	25.3
93.06431	2.9
93.07026	53.0
95.04955	4.3
95.08008	4.9
95.08591	70.8
95.09197	4.3
97.06489	5.3
97.10168	3.2
105.07022	65.9
107.08582	69.1
109.06484	4.5
109.10148	22.9
109.80157	2.2
111.08051	5.2
115.05405	2.8
117.06988	8.8
119.08566	99.8
119.09412	5.4
121.10130	62.2
123.08052	4.1
123.11703	10.7
128.94510	2.2
129.06964	4.2
131.08563	28.9
133.10110	64.6
135.11676	23.7
137.13226	5.4
139.11165	5.7
143.08528	10.6
144.09213	2.8
145.10110	40.9
147.10587	1.9
147.11658	48.8
149.13237	31.3
156.09424	2.6
157.10110	12.2
158.10840	4.6
159.11676	41.9
160.34966	2.0
161.09576	2.6
161.13237	47.2
163.11169	3.5
163.14815	8.6
165.12712	2.2
169.10110	2.3
170.11008	2.4
171.11601	12.8
172.12341	2.5
173.13251	43.4
175.14789	30.4
177.12726	6.2
177.16339	5.3
183.11700	4.8
185.13222	9.5
187.14809	33.8
189.16339	18.4
191.17937	3.0
193.15927	5.2
197.13275	4.6
199.14832	15.3
201.16370	56.3
201.18176	4.3
203.17934	12.4
205.15904	2.5
213.16347	5.7
215.17923	16.7
219.17661	3.0
227.17871	3.0
239.17896	2.7
253.19415	4.1
255.21057	3.4
363.30405	20.4
364.30978	2.7
381.26712	6.4
381.31494	100.0
382.31876	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	381.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.7
55.01863	18.3
55.05502	96.9
56.96556	7.8
57.03430	30.8
65.03934	3.9
66.47142	2.4
67.05495	100.0
69.03420	6.1
69.07053	32.9
71.04982	34.1
73.06544	7.6
79.05482	81.0
79.05882	1.4
80.05804	3.2
81.03416	13.9
81.07043	88.9
83.04972	26.7
83.08607	63.3
85.02889	6.2
85.06526	7.0
91.04920	4.9
91.05466	77.0
93.07031	81.0
95.01295	2.1
95.04951	89.0
95.08592	49.1
97.06514	17.8
97.10179	12.6
98.20646	4.1
98.97586	6.9
99.04447	3.4
103.05415	3.0
105.07017	56.3
107.04936	33.1
107.08578	46.9
109.06504	19.9
109.10125	25.7
111.04424	2.5
111.08060	14.3
116.98569	4.9
117.07000	26.1
118.54163	2.1
119.08559	48.2
121.06493	21.5
121.10129	31.9
123.04478	2.5
123.08035	12.0
123.11671	7.4
125.06012	3.1
125.09646	17.3
128.06172	2.5
129.07005	7.1
130.07805	2.7
131.00157	3.2
131.04893	3.2
131.08540	34.0
133.06483	4.2
133.10092	34.3
135.08017	12.7
135.11671	17.6
137.09586	12.6
139.07520	2.6
139.11197	3.5
141.06920	3.1
143.08549	8.4
145.06499	4.4
145.10109	42.0
146.10373	2.1
147.08038	9.5
147.11633	22.3
149.01253	3.4
149.09601	48.5
149.13213	3.5
151.07478	2.7
151.11169	8.1
153.09134	3.1
155.08522	7.0
157.10120	8.3
158.99710	3.2
159.08025	6.5
159.11673	23.7
161.09587	7.0
161.13252	8.6
163.07547	4.9
163.11156	54.9
165.12729	10.3
169.10144	6.1
171.11687	5.6
173.09541	8.5
173.13249	7.8
175.11131	5.6
177.12733	16.1
179.14276	6.5
183.11673	5.5
185.13350	2.5
187.11238	7.4
187.47292	2.5
189.11198	5.8
189.12727	4.1
191.10617	2.8
193.12201	2.8
197.13229	6.0
201.12704	3.5
201.16325	2.7
205.12263	13.6
207.13753	6.0
215.18178	3.2
223.13252	9.5
229.19507	9.5
233.15477	2.9
239.17859	9.3
247.20549	4.2
257.18887	12.9
261.18500	5.5
271.16675	2.4
275.20026	73.7
276.20380	6.4
279.16080	5.4
283.12228	4.9
284.12668	3.7
289.17963	20.2
293.21103	7.9
294.81467	2.4
300.13904	3.2
307.18930	2.7
307.22662	4.3
349.23615	18.2
363.21490	5.8
381.19083	16.0
381.26584	29.9
382.19699	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	381.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.7
55.01863	18.3
55.05502	96.9
56.96556	7.8
57.03430	30.8
65.03934	3.9
66.47142	2.4
67.05495	100.0
69.03420	6.1
69.07053	32.9
71.04982	34.1
73.06544	7.6
79.05482	81.0
79.05882	1.4
80.05804	3.2
81.03416	13.9
81.07043	88.9
83.04972	26.7
83.08607	63.3
85.02889	6.2
85.06526	7.0
91.04920	4.9
91.05466	77.0
93.07031	81.0
95.01295	2.1
95.04951	89.0
95.08592	49.1
97.06514	17.8
97.10179	12.6
98.20646	4.1
98.97586	6.9
99.04447	3.4
103.05415	3.0
105.07017	56.3
107.04936	33.1
107.08578	46.9
109.06504	19.9
109.10125	25.7
111.04424	2.5
111.08060	14.3
116.98569	4.9
117.07000	26.1
118.54163	2.1
119.08559	48.2
121.06493	21.5
121.10129	31.9
123.04478	2.5
123.08035	12.0
123.11671	7.4
125.06012	3.1
125.09646	17.3
128.06172	2.5
129.07005	7.1
130.07805	2.7
131.00157	3.2
131.04893	3.2
131.08540	34.0
133.06483	4.2
133.10092	34.3
135.08017	12.7
135.11671	17.6
137.09586	12.6
139.07520	2.6
139.11197	3.5
141.06920	3.1
143.08549	8.4
145.06499	4.4
145.10109	42.0
146.10373	2.1
147.08038	9.5
147.11633	22.3
149.01253	3.4
149.09601	48.5
149.13213	3.5
151.07478	2.7
151.11169	8.1
153.09134	3.1
155.08522	7.0
157.10120	8.3
158.99710	3.2
159.08025	6.5
159.11673	23.7
161.09587	7.0
161.13252	8.6
163.07547	4.9
163.11156	54.9
165.12729	10.3
169.10144	6.1
171.11687	5.6
173.09541	8.5
173.13249	7.8
175.11131	5.6
177.12733	16.1
179.14276	6.5
183.11673	5.5
185.13350	2.5
187.11238	7.4
187.47292	2.5
189.11198	5.8
189.12727	4.1
191.10617	2.8
193.12201	2.8
197.13229	6.0
201.12704	3.5
201.16325	2.7
205.12263	13.6
207.13753	6.0
215.18178	3.2
223.13252	9.5
229.19507	9.5
233.15477	2.9
239.17859	9.3
247.20549	4.2
257.18887	12.9
261.18500	5.5
271.16675	2.4
275.20026	73.7
276.20380	6.4
279.16080	5.4
283.12228	4.9
284.12668	3.7
289.17963	20.2
293.21103	7.9
294.81467	2.4
300.13904	3.2
307.18930	2.7
307.22662	4.3
349.23615	18.2
363.21490	5.8
381.19083	16.0
381.26584	29.9
382.19699	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	381.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01857	14.4
55.05498	47.1
56.96555	5.0
57.03423	42.1
59.04979	8.3
61.02922	3.8
61.27966	3.3
65.03931	6.1
67.05491	96.9
68.94463	3.2
68.98031	2.8
69.03414	8.9
69.07051	43.6
70.03957	14.2
70.06580	7.3
70.80246	3.2
71.04980	49.1
73.06535	5.2
79.05477	91.3
80.05788	2.9
81.03406	16.0
81.07042	94.2
83.04972	17.2
83.08605	20.2
85.02913	5.3
85.06544	15.0
86.09707	6.9
87.04449	8.4
91.05463	100.0
92.05791	6.3
93.07028	84.8
95.04948	33.7
95.08590	67.9
97.02870	5.9
97.06515	31.0
97.10160	18.7
99.08048	4.9
101.06044	3.2
103.05471	3.8
105.03385	8.0
105.07010	95.2
106.07359	4.6
107.04949	27.5
107.08572	71.0
109.06521	30.1
109.10153	30.4
109.94022	2.9
111.04438	3.5
111.08067	20.6
113.05980	11.9
115.05451	6.8
117.06992	34.8
119.04946	4.0
119.08562	79.5
121.06494	20.6
121.10122	36.5
121.54707	3.0
123.04379	8.7
123.08041	24.3
123.11658	3.9
125.05968	5.2
125.09608	19.0
129.06987	13.1
131.04929	7.6
131.08557	44.7
133.06470	9.1
133.10101	64.3
135.08018	30.3
135.11652	14.0
137.05995	5.3
137.09595	23.3
139.00375	2.8
139.07584	5.4
139.11084	4.1
141.06982	5.5
143.08504	15.9
145.06451	7.2
145.10095	54.3
147.04416	5.4
147.08009	6.1
147.11652	24.0
149.02408	3.2
149.05963	5.5
149.09575	23.8
149.13243	5.9
151.07491	6.0
151.11096	14.9
153.09093	6.2
155.08482	8.9
157.10080	16.0
159.08034	12.8
159.11667	33.2
161.09613	11.9
161.13263	8.9
161.14514	3.5
163.07542	7.7
163.09480	3.0
163.11159	17.8
165.12700	4.3
167.10597	3.2
169.10101	9.4
169.12305	3.9
171.11687	12.7
173.09573	17.5
173.13245	10.8
175.11133	12.2
177.09140	6.1
177.12662	4.2
183.11690	7.3
185.09650	4.0
187.11131	6.9
187.14778	6.7
189.11163	8.7
189.12714	5.8
191.10680	6.6
193.04955	6.2
193.12189	6.2
195.66759	3.6
197.13202	8.8
199.11014	3.8
199.14870	3.8
201.12810	3.9
203.03293	6.8
213.16254	6.2
215.14323	6.2
215.17810	3.4
217.15685	4.8
221.04442	18.1
221.11731	7.7
229.19434	6.9
233.15358	12.3
233.18948	4.9
239.17912	11.0
243.17415	7.0
247.20490	8.2
257.18982	22.5
260.92505	3.4
261.18503	9.5
271.16852	15.5
275.19995	79.1
289.17944	53.4
289.21216	6.8
290.18091	3.4
297.04001	4.1
297.07394	7.9
304.07269	3.5
307.18945	10.5
307.22672	9.7
309.16754	3.2
331.22678	12.3
338.37503	3.3
349.23636	19.1
363.21622	11.1
363.25543	5.9
381.13171	15.3
381.18610	6.9
381.22144	34.0
381.27078	32.3
382.13556	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	381.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63660	2.1
53.03926	7.6
55.01866	16.1
55.05275	3.6
55.05501	43.3
57.03159	3.3
57.03424	49.6
57.07063	4.2
59.04977	7.5
65.03918	6.4
67.05143	5.0
67.05492	90.0
69.03406	6.3
69.07053	44.7
69.46779	25.6
69.47173	5.7
71.04977	55.5
73.06544	4.8
79.05027	3.5
79.05479	90.9
81.03389	11.5
81.07038	96.1
82.07346	2.7
83.04974	23.6
83.08597	21.6
84.04461	3.2
84.08109	3.1
85.02875	4.6
85.06538	13.8
86.09682	3.3
87.04424	12.1
91.05462	96.0
93.07029	94.3
95.01299	3.7
95.04956	23.0
95.08588	70.4
97.06511	33.5
97.10144	12.3
99.08067	6.4
103.05402	7.1
105.03390	3.9
105.07012	98.1
106.07322	3.3
107.04933	21.7
107.08573	65.2
109.06506	28.6
109.10142	33.1
109.57435	2.7
111.04404	4.4
111.08102	16.4
113.05965	8.9
115.05406	6.5
117.06991	31.7
119.04858	4.1
119.08553	70.2
121.06492	18.2
121.10130	36.2
123.04413	3.8
123.08036	23.9
123.11684	6.7
124.07619	3.1
125.05990	3.5
125.09624	13.4
128.06184	4.5
129.06963	11.2
130.07693	4.2
131.04863	11.3
131.08545	61.8
132.05232	4.2
133.06458	7.6
133.10104	68.8
134.10400	3.0
135.08015	27.9
135.11690	14.7
137.05908	3.6
137.09575	17.8
139.07538	5.1
139.11171	3.0
141.06973	5.3
141.09143	3.1
142.07750	4.3
143.08505	13.1
144.60992	2.9
145.10100	51.7
147.08009	9.5
147.11652	31.6
149.02248	3.4
149.09586	23.6
149.13176	7.6
151.07452	3.5
151.11148	15.7
153.09096	4.7
155.08568	6.8
157.10104	13.3
159.07997	11.7
159.11655	34.7
160.99219	2.7
161.09573	11.1
161.13184	9.9
162.09090	3.8
163.07509	6.0
163.11174	12.5
165.09100	5.5
165.12755	6.0
169.10114	10.2
169.12157	2.8
171.11658	10.1
173.09622	14.0
173.13193	12.3
175.11127	6.4
175.14723	2.9
177.09097	3.2
177.12727	7.7
179.10646	3.9
179.14293	3.5
183.11684	8.1
185.13219	5.8
187.11125	6.0
187.14777	3.3
189.11086	10.6
189.12630	4.1
191.10562	4.6
191.14311	5.4
193.04958	4.0
193.12329	4.7
197.13194	8.1
199.11092	3.2
199.14746	3.7
201.12819	3.6
215.14311	10.0
215.17894	4.1
217.15802	3.3
221.04395	12.3
221.11729	2.8
221.15096	2.5
229.19537	8.6
233.15260	13.3
233.18765	3.3
239.17937	14.4
243.17384	4.5
247.20523	11.3
253.15810	4.1
257.18954	25.9
261.18359	12.1
271.16998	13.0
275.20023	100.0
276.20285	6.4
289.17996	39.6
289.21295	5.9
290.18069	2.4
297.07562	5.7
306.08755	3.2
307.18988	13.7
307.22632	8.3
308.06625	2.8
324.16122	2.4
331.22543	10.2
349.23621	34.0
363.21579	11.8
363.25476	3.2
371.95694	2.4
381.13028	14.0
381.22632	37.7
381.26358	32.8
382.22949	3.6
393.69049	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	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47205	2.4
53.03923	12.3
55.01873	21.4
55.05507	86.3
57.03202	3.1
57.03429	33.8
57.07057	3.5
59.04971	2.7
65.03924	2.8
67.05144	5.6
67.05493	100.0
68.05811	3.2
69.03402	5.6
69.07062	30.7
71.04984	37.1
71.67173	3.9
73.06536	4.9
79.05478	77.7
80.05814	3.3
81.03395	11.9
81.07047	82.6
83.04980	15.4
83.08612	72.1
85.06525	6.6
91.04926	4.4
91.05466	75.2
93.07034	73.7
95.04954	91.7
95.08593	61.3
97.06508	16.1
97.10146	12.3
103.05460	3.3
105.07019	61.0
107.04946	36.6
107.08565	49.6
109.06517	19.4
109.10125	31.1
111.04393	2.9
111.08073	16.0
113.05976	2.8
115.05398	2.7
117.07005	27.2
119.08567	51.0
121.06479	19.1
121.10137	34.8
123.08065	14.3
123.11702	7.0
125.06010	4.0
125.09613	16.6
128.06154	3.1
129.06955	8.9
131.08539	36.4
133.10114	34.4
135.08029	11.6
135.11665	21.4
137.09579	8.8
141.06990	3.2
143.08522	6.7
145.06432	3.1
145.10100	41.4
147.08038	5.6
147.11674	24.7
149.09596	48.8
149.13237	4.4
151.11156	9.0
157.10063	6.2
159.08073	2.9
159.11678	24.6
161.09624	5.1
161.13197	8.2
163.11172	53.5
165.12694	13.9
169.10112	8.1
171.11668	8.8
172.67186	2.5
173.09624	6.5
173.13220	9.5
175.11134	7.1
177.12746	18.0
179.14343	8.0
183.11658	7.2
183.92395	2.9
187.11127	5.6
187.14757	4.6
189.11195	4.1
189.24014	2.7
191.14232	5.5
197.13251	4.9
201.12677	3.4
205.12222	15.3
207.13846	5.9
215.17873	4.2
223.13252	11.7
229.19467	6.7
239.17958	8.1
247.20520	8.9
257.18936	13.9
275.20026	79.9
276.20227	4.1
279.15738	5.8
289.21573	4.5
293.20996	7.9
307.22519	5.5
349.23648	19.4
381.26367	30.2
382.26907	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	381.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01873	5.3
55.05506	19.9
56.25126	1.0
57.03208	1.1
57.03434	13.4
57.07056	3.0
59.04982	2.0
61.02919	1.4
65.03934	3.0
67.05499	47.7
69.03401	1.4
69.06689	1.4
69.07059	25.3
70.24311	6.0
71.04987	46.7
71.08620	6.3
72.96024	1.0
73.06542	1.3
75.04465	1.6
79.05024	2.2
79.05484	38.2
81.03412	3.3
81.07046	100.0
82.07383	1.9
83.04960	7.4
83.08610	11.2
85.06528	5.9
91.05466	31.0
92.05816	1.1
93.07034	32.8
95.04959	19.3
95.08595	32.0
95.70019	1.0
96.08953	1.7
97.06520	12.3
97.10142	2.4
99.08074	9.4
105.07015	32.1
107.04926	5.7
107.08583	19.7
108.21526	1.0
109.06506	25.7
109.10143	10.8
109.54292	1.1
111.04450	5.0
111.08072	5.3
113.09629	7.2
114.29962	1.0
117.07002	8.0
118.45140	1.1
119.08569	23.1
120.08852	1.6
121.06485	11.2
121.10138	14.7
123.08043	8.3
123.11695	4.3
125.09630	4.0
129.06999	2.5
131.08554	11.4
133.10115	15.3
135.08044	8.4
135.11650	7.4
136.22348	1.1
137.09628	6.4
139.11179	2.3
143.08528	4.9
145.10100	14.6
147.08023	2.6
147.11668	17.9
149.09602	11.8
149.12224	1.1
149.13203	5.7
151.11163	3.9
155.08476	1.9
157.10107	2.9
159.08112	1.6
159.11684	10.6
161.09598	1.9
161.13257	4.0
163.11133	9.3
163.14835	2.0
165.12730	49.2
166.13118	2.3
167.10574	1.3
169.10138	1.9
171.11725	3.2
173.09610	2.3
173.13281	4.8
175.11182	3.1
175.14816	2.2
177.12698	5.5
179.14250	2.1
181.12178	1.2
181.15724	1.1
183.11642	1.9
185.13206	1.2
187.11243	2.1
187.14757	2.0
189.12740	1.6
191.14293	11.8
193.12262	1.4
197.13148	2.7
201.12756	2.2
205.12270	1.3
205.15872	1.6
213.16489	1.1
215.14240	1.6
229.19568	2.5
239.18001	2.0
243.21097	1.1
247.20580	3.9
257.19052	3.5
261.22122	5.6
275.20035	26.0
279.23203	1.9
289.18338	1.9
289.21573	49.4
290.21643	1.8
293.21155	1.5
306.48419	1.2
307.22635	14.2
308.23151	1.5
349.23700	3.6
363.25262	3.4
381.26328	53.9
382.26657	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	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.1
55.01639	1.3
55.01867	16.1
55.05502	79.9
57.03429	26.7
57.07063	2.3
65.03922	4.5
67.05494	100.0
69.03407	4.8
69.07063	32.5
70.90259	4.1
71.04612	1.9
71.04989	35.6
73.06531	5.2
73.38847	1.4
74.01630	1.9
79.05479	81.9
81.03404	10.8
81.07043	79.8
81.07447	1.6
81.07526	2.6
83.04967	17.8
83.08605	64.0
85.02866	3.7
85.06517	7.1
91.05464	63.6
93.07030	73.4
95.01295	1.7
95.04957	81.8
95.08000	3.2
95.08588	54.3
97.06508	14.8
97.10159	10.6
99.08025	2.3
102.31334	1.7
103.05440	2.3
105.04487	1.9
105.07014	45.4
107.04937	32.7
107.08578	44.5
109.06504	17.7
109.10139	22.9
111.04405	2.6
111.08054	17.4
115.05444	2.2
117.06993	21.1
119.08564	44.3
121.06475	17.0
121.10128	29.8
123.08064	12.1
123.11679	5.1
125.05968	2.6
125.09627	14.4
128.13705	1.6
129.07001	10.0
130.07774	1.7
131.08554	31.1
133.06433	3.8
133.09152	2.9
133.10109	31.7
133.38908	1.6
135.08026	9.3
135.11678	19.6
137.09613	7.8
139.11157	4.8
141.06927	2.9
143.08545	5.3
145.06479	3.9
145.10101	44.7
147.08034	7.5
147.11678	20.9
149.09602	54.3
149.13242	6.2
150.09967	1.8
151.11139	6.9
153.09081	3.5
154.07750	1.7
155.08531	3.8
157.10117	5.8
159.07976	2.9
159.11650	20.8
161.09592	5.4
161.13205	6.7
163.11157	51.7
164.11517	2.0
165.12794	8.6
169.10103	5.5
171.11665	6.7
173.09608	6.2
173.11835	3.2
173.13229	9.9
175.11156	5.0
175.14772	2.0
177.12782	12.7
179.14331	4.1
183.11687	5.8
185.13310	1.9
187.11172	5.1
187.14781	3.4
189.11203	5.4
189.12709	1.8
191.10599	2.7
191.14207	2.9
193.12201	3.4
197.13248	4.1
201.12689	4.3
205.12206	14.3
207.13774	5.5
215.17926	3.7
223.13277	12.4
229.19443	7.5
233.18941	2.4
237.14734	2.6
239.18001	11.9
247.20465	6.7
257.18930	16.1
261.14670	1.9
275.20020	81.3
276.20285	3.1
279.15863	4.3
287.11163	1.4
293.21234	7.5
307.22647	3.9
331.22577	2.9
349.23688	22.4
350.23807	1.9
371.00497	1.6
381.26349	37.2
382.26599	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.2
55.01861	40.3
55.05507	23.6
57.03429	47.9
65.03912	4.5
67.05495	76.8
69.03410	6.9
69.07063	18.7
70.01974	4.4
70.02384	11.7
71.04963	6.9
79.05481	73.9
80.06248	3.1
81.03399	18.3
81.07043	70.5
83.01321	9.3
83.04966	33.6
83.08594	12.8
85.06506	4.0
91.05470	61.9
93.07024	51.6
94.04142	2.8
94.07271	2.8
94.57347	2.7
95.04958	58.0
95.08588	35.1
97.02875	7.9
97.06523	10.2
97.10155	4.4
103.05440	7.7
105.04449	2.9
105.07007	59.3
107.04937	100.0
107.05664	5.5
107.08568	28.1
109.06497	30.2
109.10141	14.9
110.07292	4.8
111.04421	8.6
111.08076	6.3
112.05215	5.3
113.05983	6.1
115.05437	6.7
117.07003	31.7
119.04918	10.0
119.08561	32.9
121.06500	26.7
121.10113	11.6
122.07264	20.0
123.04406	10.5
123.08028	9.5
123.11685	4.2
125.05955	4.5
128.06198	5.6
129.05449	8.0
129.06949	13.3
131.04918	3.0
131.08540	40.6
133.06473	30.6
133.10109	17.2
135.04399	5.2
135.08041	16.8
135.11646	10.0
137.09589	6.1
141.06961	7.2
142.07817	3.3
143.08528	12.2
145.06441	19.3
145.10132	21.6
147.08008	29.3
147.11679	6.0
149.05936	3.3
149.09590	9.2
149.13213	4.2
151.07556	4.5
155.08513	7.7
157.10098	6.9
159.08025	6.5
159.11684	7.5
161.09566	21.0
161.13206	4.3
162.10371	7.5
163.11147	12.3
164.76801	3.0
165.09094	7.7
169.10132	7.2
171.10371	2.6
171.11697	9.9
173.09593	4.4
173.13210	13.5
175.11151	8.2
177.09091	3.4
177.12717	5.3
179.14157	2.5
183.11670	3.3
185.09630	2.8
187.11101	3.3
187.14729	7.7
189.12732	4.0
197.13167	5.3
201.12624	4.4
202.36145	2.7
205.15889	7.5
215.14317	12.6
216.15027	3.2
217.15872	4.5
233.15314	60.2
234.15839	4.2
239.16406	3.7
243.13754	4.4
251.16426	11.0
261.14819	8.6
269.17319	4.3
273.18469	10.1
289.17816	5.0
290.18787	7.4
307.18945	28.0
335.18484	53.5
381.22696	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	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69779	35.2
78.94847	5.1
137.44080	4.2
203.65068	4.2
273.52130	5.4
330.69873	5.1
381.03220	5.9
381.07907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01863	27.0
55.05502	39.9
57.03431	35.8
61.02923	4.4
65.03926	5.8
67.05495	77.0
69.03407	9.5
69.07055	24.4
69.42820	31.2
71.04956	5.9
79.05479	75.5
81.03400	9.3
81.06606	4.7
81.07044	62.0
83.04970	19.5
83.08592	7.3
84.58608	3.0
85.02887	6.2
85.06538	5.4
91.05465	48.0
91.20618	3.1
93.03429	2.9
93.07037	57.0
95.04967	19.1
95.08588	35.9
97.02869	4.6
97.06509	21.2
97.10151	8.8
103.05449	4.5
105.07013	46.0
107.04929	24.6
107.08575	43.4
109.02886	5.7
109.06516	31.0
109.10139	37.1
111.04432	24.0
111.08088	4.6
113.06026	3.3
115.05427	3.1
117.07013	22.2
119.04960	3.4
119.08547	29.1
121.06486	19.1
121.10124	23.3
122.95074	3.1
123.04397	27.8
123.08045	13.9
123.11736	4.3
125.05966	6.8
125.09612	10.2
129.07001	10.0
131.04842	5.5
131.08569	24.7
133.06485	11.8
133.10097	16.5
135.04401	7.7
135.08028	44.3
135.11734	5.9
137.05943	11.9
137.09608	13.2
139.07506	11.9
139.11180	9.6
141.06961	4.8
143.08560	7.2
145.06465	11.3
145.10091	22.3
147.08052	8.0
147.11699	9.3
149.05949	9.2
149.09604	18.4
151.07501	18.7
151.11139	4.9
153.09070	11.4
157.10175	7.0
159.08073	15.4
159.11667	14.5
161.09587	15.4
161.13275	4.1
163.07538	21.1
163.11145	10.9
165.09094	15.4
169.10135	6.6
171.11655	3.2
173.09656	18.4
173.11813	14.3
173.13242	7.8
175.07558	4.2
175.11150	5.6
177.09077	40.0
177.12701	4.2
179.10603	3.6
183.11601	6.8
185.09584	4.2
187.11168	5.2
189.09111	4.0
191.10640	14.2
193.12195	14.8
197.00768	3.1
197.13130	4.0
201.12631	3.9
201.16476	5.5
203.14273	4.0
203.91011	3.1
205.12245	4.3
209.11642	3.5
213.14842	3.5
215.17894	9.0
219.13782	8.0
220.09180	4.1
225.16342	6.8
229.12216	3.4
229.14265	4.9
233.18979	5.0
243.17384	21.4
247.16838	10.2
253.15971	3.0
261.18387	27.7
271.16855	29.2
289.17920	100.0
307.18991	8.0
363.21594	15.6
381.22632	81.1
381.27567	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	381.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.7
55.01864	31.5
55.05244	1.6
55.05503	28.0
57.03156	2.7
57.03426	46.3
57.07056	2.2
63.41060	1.4
65.03932	4.8
67.05492	75.7
69.03413	6.1
69.07052	25.6
69.46017	14.0
70.06556	1.7
71.01332	3.7
71.04976	5.2
73.02906	2.1
75.62994	1.5
77.03936	2.0
79.05478	78.4
80.05815	2.5
80.06259	3.6
81.02995	1.9
81.03409	19.6
81.07042	61.7
82.04192	2.1
83.01332	7.2
83.04967	31.5
83.08590	9.3
85.02880	4.5
85.06522	5.5
91.05463	76.3
93.07030	51.0
93.07493	0.9
94.04167	3.3
95.04950	58.6
95.08594	33.2
96.05772	1.7
97.02869	7.8
97.06528	14.8
97.10178	7.2
98.07301	3.8
103.05431	5.2
105.03376	1.6
105.04466	1.6
105.07008	56.7
106.04121	1.4
107.04934	100.0
107.08572	23.5
108.05704	4.8
109.06505	30.6
109.10141	14.8
110.07308	3.3
111.04436	9.4
111.08080	4.1
112.05185	8.7
113.05997	4.6
115.05457	7.5
115.07586	2.3
116.04655	1.9
117.07001	36.1
119.04925	6.7
119.08559	35.9
120.05746	2.9
121.02823	2.3
121.06482	27.2
121.10130	14.2
122.07268	19.9
123.04401	10.2
123.08064	9.6
123.11667	2.5
125.05954	7.1
125.09594	4.8
125.10936	1.5
128.06190	5.2
129.05461	6.1
129.06989	17.1
130.07802	3.0
131.04875	3.6
131.08548	39.9
133.06476	32.3
133.10107	22.1
135.04398	2.7
135.08022	21.5
135.11674	8.2
136.08810	3.9
137.06001	2.2
137.09598	5.6
139.07503	3.0
141.06952	9.0
143.07013	2.1
143.08530	9.9
145.06456	22.8
145.10085	21.9
147.08031	30.9
147.11649	8.8
148.08740	2.4
149.06000	2.4
149.09631	7.7
149.13213	3.4
151.07530	4.9
151.11183	3.4
155.08507	8.9
156.09386	2.2
157.06546	2.0
157.10037	7.4
159.08026	10.5
159.11711	8.9
161.09610	19.5
161.13200	3.4
162.10396	4.7
163.07578	3.7
163.11140	10.1
165.09070	6.9
169.10036	7.3
171.11664	11.0
173.05942	1.6
173.09615	4.7
173.13248	9.6
175.11124	6.5
177.09122	3.1
177.12735	5.5
179.14296	3.2
183.11546	3.4
185.11679	1.8
185.13206	3.0
187.11119	3.5
187.14761	9.4
189.11311	2.6
189.12746	5.0
191.14249	2.0
193.12315	2.0
197.13261	7.3
203.14288	2.4
205.15820	9.0
215.14316	11.9
217.15829	3.8
219.13831	2.0
225.12645	1.5
231.17252	1.8
233.15320	49.1
234.15767	2.1
243.13745	3.4
251.16428	8.2
253.15811	2.3
261.14847	5.8
261.18546	3.5
273.18436	10.1
275.20016	2.0
289.17917	9.0
290.18692	7.4
307.19009	25.4
335.18466	47.5
336.18991	1.6
356.64874	1.7
381.22614	31.7
382.22992	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30462	0.2
56.05017	0.2
58.06349	0.3
58.06594	2.9
69.07044	0.4
70.05666	0.5
70.06075	0.9
70.06586	0.6
71.08616	11.8
72.08139	9.8
72.37911	0.2
74.06062	0.4
80.96980	0.2
81.03391	0.4
84.08134	1.8
86.09702	0.5
95.95916	0.2
98.06022	0.6
98.21378	0.4
99.08074	19.9
102.38304	0.2
111.04431	0.5
112.11218	2.6
116.26443	0.2
120.08096	0.3
121.02841	0.4
128.10692	2.6
129.13829	0.4
137.02313	33.1
138.02689	0.4
154.12169	0.3
155.15387	1.1
156.13808	100.0
157.14146	1.6
170.15404	0.7
172.13277	0.5
173.16493	0.6
178.08681	0.2
179.89217	0.2
187.14407	0.6
194.08092	4.5
208.09648	8.2
225.12283	0.4
227.21152	2.7
244.23811	2.3
265.15411	0.8
269.61462	0.3
282.18066	1.0
317.13931	0.3
362.24258	1.3
363.18488	0.3
363.22696	1.4
380.25348	87.7
381.25708	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	380.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45976	0.5
53.72567	0.5
55.05498	0.7
55.51812	0.5
58.06579	2.7
60.04510	0.9
69.07057	18.1
69.58458	0.5
69.98596	0.6
70.06586	1.0
71.08671	1.2
72.08139	7.5
73.06530	2.3
78.84522	0.6
81.07048	1.2
84.04485	0.9
84.08143	3.1
96.08144	0.9
97.06522	5.6
98.06033	3.0
98.09678	4.1
112.11253	3.9
113.97219	0.6
114.09167	0.8
115.07549	9.3
121.02848	61.5
122.03172	1.0
126.09140	10.9
129.13844	1.3
150.05472	0.7
154.12251	18.9
168.13857	1.7
171.14911	1.4
172.13298	62.7
173.13669	1.1
178.08604	31.8
179.08914	0.6
186.14883	1.8
192.10147	9.2
243.20619	1.7
249.15994	2.4
260.23309	2.5
266.18607	3.4
279.93295	0.7
289.72263	0.6
327.56973	0.6
362.24268	4.7
363.22794	1.0
380.25378	100.0
381.25793	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	380.2328
Annotation	Celabenzine
Peak:m/z	Relative Intensity
53.03942	1.3
55.05492	1.5
56.96556	1.2
57.03428	0.9
58.06584	0.9
59.67113	0.6
67.05495	1.6
67.51810	0.6
69.03394	1.5
69.83306	3.9
70.06562	2.3
71.04970	0.9
72.08142	6.7
79.05489	1.8
81.03403	1.0
81.07037	2.2
83.08604	0.8
84.04505	0.6
84.08128	2.8
85.02892	1.3
91.05465	2.8
93.07005	1.7
95.08596	1.6
97.02842	0.9
97.67321	0.6
98.06824	0.6
103.05450	27.4
104.05739	0.7
105.03374	66.7
105.07006	1.8
106.03732	1.2
107.08567	1.7
109.06463	0.8
112.11221	4.2
119.08556	1.7
120.08103	1.1
121.06483	1.8
121.10130	0.8
131.04904	96.9
132.05234	2.3
134.05983	5.2
137.02286	0.9
145.10120	0.9
147.11717	1.0
156.13773	1.2
157.59184	0.6
159.11671	1.5
161.10732	1.4
161.13286	0.9
162.09119	69.5
163.09431	2.3
176.10689	5.7
181.13506	0.8
187.12318	0.7
188.10667	42.3
189.11046	1.3
189.47984	0.6
193.73311	0.6
201.16400	1.2
202.12225	6.1
233.16399	2.5
241.04980	0.7
250.19144	3.3
273.03958	0.8
283.05908	0.8
284.03143	0.8
285.03690	1.2
297.03812	3.4
311.05463	2.1
339.04895	0.9
362.22180	0.7
363.20862	1.9
380.23260	100.0
381.05704	0.8
381.09659	5.5
381.13370	0.8
381.23404	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	380.2327
Annotation	Celabenzine
Peak:m/z	Relative Intensity
53.03934	0.8
55.05505	0.4
56.64934	0.3
66.20500	0.4
70.27584	1.5
72.08143	3.7
77.03880	0.6
84.08120	1.8
98.21301	0.5
103.04745	0.5
103.05450	17.2
105.03373	79.8
106.03718	1.9
109.63718	0.3
112.11201	2.1
113.11277	0.3
131.04903	84.0
132.05197	2.0
134.05991	5.8
139.83244	0.3
161.10724	2.2
162.09111	73.4
163.09470	1.9
176.10629	2.6
179.11771	0.4
187.12292	0.8
188.10667	40.4
189.11034	1.4
202.12221	7.9
219.14919	0.3
233.16443	1.1
250.19057	0.4
362.22217	1.3
363.20538	2.5
380.23257	100.0
381.23642	5.4
381.28455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2837
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03931	2.6
55.01852	3.8
55.05506	26.2
57.03410	3.6
57.07065	16.9
59.04992	1.4
60.66273	1.1
65.03927	1.7
67.05499	22.9
69.03405	2.3
69.06700	1.5
69.07065	28.4
70.03103	2.8
70.03513	4.1
71.04972	2.4
71.08616	7.3
73.06543	1.1
79.05486	20.1
81.07044	41.1
83.04962	10.5
83.08615	7.8
85.06538	11.5
91.05464	14.3
93.07034	29.4
95.04939	4.3
95.08008	2.1
95.08599	36.8
96.28402	1.1
97.06525	18.1
97.10152	3.1
98.21339	2.0
99.08066	3.8
105.07021	11.5
107.08581	33.5
109.06506	17.6
109.10145	14.2
111.04430	40.4
111.08067	6.5
117.07034	2.6
119.08553	11.8
121.06483	3.7
121.10137	13.9
122.07210	1.1
123.08053	13.8
123.11723	4.0
125.05093	2.0
125.05980	24.6
125.09568	1.6
127.07520	1.6
131.08548	4.7
133.10107	6.0
135.08025	22.2
135.11673	21.4
137.05980	14.9
137.09546	3.3
137.13240	2.7
139.07539	3.0
139.11182	1.2
143.08533	2.0
145.10124	9.5
147.08023	1.5
147.11673	6.4
149.09599	5.4
149.13243	3.7
151.07562	5.4
151.11102	2.7
151.14705	1.3
153.12741	9.4
157.10098	2.3
159.11682	2.4
161.09624	4.2
161.13219	2.5
163.11143	7.8
165.09099	4.7
165.12740	7.5
167.14284	3.2
168.38167	1.1
173.13197	1.5
175.11179	3.4
175.14857	1.2
177.12711	6.2
179.10672	2.3
179.14293	6.0
181.12199	11.6
182.12733	1.4
183.13863	1.7
190.13521	1.3
191.14275	3.1
193.12215	3.3
193.15834	1.5
195.13701	6.2
203.17703	1.2
205.15878	3.3
207.13785	1.3
219.17451	1.7
221.19020	6.1
231.15810	1.9
233.18987	1.6
235.20525	3.5
238.15778	1.3
249.18475	3.3
263.20047	4.1
287.23624	2.5
291.26923	1.3
301.25464	1.5
305.24707	90.6
306.25116	5.1
311.23932	1.2
319.26276	25.3
319.30069	1.4
320.26508	2.0
329.24680	7.0
347.25763	100.0
348.26102	7.1
351.28897	26.0
352.29092	1.6
361.27362	17.2
379.28424	45.6
380.28705	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	379.2837
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01858	4.9
55.05505	15.6
57.03422	1.3
57.06796	1.6
57.07066	23.8
67.05495	16.2
69.03424	1.5
69.07059	19.2
69.50055	7.6
69.50473	2.1
71.04969	2.9
71.08614	1.2
79.05485	14.3
81.07047	34.3
83.04974	4.8
83.08592	8.3
85.06525	15.7
91.05466	9.7
91.61374	0.9
93.07035	17.2
95.04935	1.5
95.08597	22.1
97.06528	7.5
97.10162	2.0
99.08035	1.3
105.07010	9.8
107.07909	1.7
107.08583	17.8
109.06491	16.7
109.10143	11.4
111.04427	9.2
111.08089	4.7
117.06989	1.7
119.08554	10.6
121.06482	1.9
121.10134	11.3
123.08047	10.3
123.11694	4.2
125.05981	8.3
125.09586	1.7
131.08559	3.2
133.06451	1.3
133.10135	7.3
135.08041	15.2
135.11664	8.9
137.05966	41.4
137.07014	2.3
137.09596	3.1
137.13232	1.5
139.07515	3.6
143.08557	2.0
145.10115	3.2
147.08026	2.1
147.11676	7.3
149.09619	5.8
149.13278	4.9
151.07516	7.3
151.11147	3.7
152.08299	4.2
153.12733	3.0
157.10080	2.1
159.11688	3.3
161.09596	4.3
161.13210	3.5
163.11160	2.9
163.14798	1.4
165.09053	5.8
165.12737	6.2
167.10666	1.2
173.13251	1.6
175.11194	4.0
175.14838	1.8
177.12772	7.3
179.10686	1.8
179.14334	2.8
181.12213	1.7
185.99315	1.1
189.12781	1.2
191.14265	3.0
193.12210	2.8
194.13010	2.0
195.13669	1.7
203.17882	1.2
207.13777	4.3
216.67189	0.9
231.17468	2.3
233.18988	1.2
245.19339	1.1
249.18552	2.6
263.20026	8.4
277.17969	3.4
291.19617	2.6
291.26849	1.2
297.20929	1.1
301.25168	1.2
305.21542	1.1
305.24756	3.5
319.26315	10.1
323.22141	2.8
329.24841	4.8
347.25757	80.9
348.26065	5.1
351.28870	36.0
352.29056	1.5
354.80057	1.0
361.27289	9.4
379.28384	100.0
380.28827	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	379.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.37166	2.8
53.58550	2.4
55.05503	15.0
57.03426	6.9
58.08931	2.8
60.75154	2.9
65.03928	3.8
67.05494	84.5
69.03416	3.1
69.07061	16.6
69.98505	15.3
70.06573	3.9
71.04983	21.7
72.08132	6.2
77.81059	2.9
79.05485	35.5
81.07044	100.0
83.08605	12.4
84.04492	3.6
85.06523	7.0
86.09710	3.7
91.05465	29.3
92.00140	3.3
93.07027	41.3
95.04951	4.5
95.08588	98.7
97.06551	6.5
97.10169	6.6
98.20763	4.5
103.25107	2.7
105.06998	15.5
107.08583	28.1
109.06506	3.9
109.10139	44.5
111.08071	4.5
117.07003	4.4
119.08562	18.6
120.08078	8.4
121.10119	28.6
123.08039	3.7
123.11709	20.0
131.08556	13.5
133.10132	33.0
135.11667	31.8
137.09604	6.0
137.13321	3.0
145.10078	18.0
147.11684	7.9
149.13232	10.7
151.11148	8.2
159.11665	8.6
163.11200	3.4
165.12778	3.4
173.13271	8.3
175.07597	3.1
177.05396	4.3
187.14810	3.6
191.14238	3.3
195.13654	3.5
203.18024	2.8
215.17906	26.7
217.08377	3.1
233.18979	31.1
251.20033	26.0
269.21030	5.3
307.22577	5.3
325.23639	55.0
326.24063	4.8
343.24789	33.7
344.24915	3.7
374.45294	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	379.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	3.6
55.05514	25.6
57.07065	14.5
67.05499	17.8
68.18620	4.1
69.07059	30.4
71.04974	4.1
71.08626	12.0
71.71043	3.6
78.38455	3.3
79.05486	16.6
81.07049	38.7
83.04976	8.1
83.08596	10.1
85.06525	9.9
89.06020	8.6
91.05470	12.1
91.37469	3.3
93.07032	28.6
95.04909	3.0
95.08599	32.2
97.06557	17.9
105.07011	12.2
107.08593	34.1
109.06491	17.8
109.10148	14.0
109.33292	3.4
111.04424	31.9
117.06941	3.9
119.08570	11.4
121.06489	6.1
121.10123	14.7
123.08007	9.8
123.11704	5.2
125.05977	14.6
131.08594	5.1
133.10112	5.6
135.08034	17.4
135.11653	20.7
137.05939	9.1
145.10114	8.7
147.11694	3.6
149.09605	6.5
153.12776	6.3
159.11691	3.9
163.11305	8.4
165.12691	3.3
177.12712	4.7
179.14334	9.4
181.12248	10.4
192.16547	3.6
193.12227	3.5
221.19107	4.0
228.78658	3.2
235.20590	4.8
245.65060	3.3
249.18393	5.1
263.20111	3.8
305.24704	83.6
319.26233	24.2
329.24878	7.5
341.41345	3.2
347.25754	100.0
348.13358	3.9
348.26315	6.9
350.58362	3.6
351.29044	16.7
358.52753	3.9
361.27158	11.6
379.28510	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01853	2.3
55.05504	16.6
56.89856	2.2
56.96544	2.7
57.03420	5.9
57.07077	3.5
62.19873	2.0
65.29559	2.2
67.05495	66.1
69.03422	5.0
69.07048	16.2
69.88721	14.9
70.06578	7.6
71.04981	23.9
71.08618	3.7
72.08147	24.0
77.03980	2.2
79.05483	33.4
81.03412	5.7
81.07045	100.0
82.07412	2.1
83.04966	3.4
83.08591	11.5
84.04484	4.6
84.08131	4.8
85.02911	3.8
85.06511	10.3
86.09698	21.5
87.10046	5.5
91.05462	29.3
93.07032	41.1
95.01305	6.2
95.04938	6.8
95.08594	76.1
97.02875	2.7
97.06516	9.9
97.10133	5.7
99.08076	8.6
105.07001	22.7
106.07329	2.0
107.04942	5.0
107.08582	27.2
109.06508	5.8
109.10143	47.5
111.08051	2.4
113.66276	2.0
117.07005	5.6
119.08556	16.0
120.08083	12.7
121.02840	3.2
121.08412	5.2
121.10122	32.5
123.08053	2.9
123.11693	16.4
125.09618	4.7
127.03853	3.1
131.08546	13.1
133.10126	22.0
135.04352	2.0
135.08000	2.4
135.11673	26.2
136.06201	6.0
137.02333	6.6
137.05957	7.7
137.09613	4.0
137.13222	2.8
145.10095	12.8
147.10632	3.4
147.11591	11.0
149.13243	10.7
151.11197	6.4
153.12740	6.2
156.13821	15.2
157.10150	2.2
159.11678	9.2
161.02368	3.9
161.06017	2.7
161.13306	2.3
162.04074	5.5
163.11177	2.9
165.12733	2.7
167.07040	3.1
171.13731	4.8
173.13271	8.5
177.05464	6.9
185.16515	8.1
186.16794	3.2
187.07475	2.3
194.08127	3.3
194.59912	2.8
194.62061	1.9
195.13927	2.1
203.17947	5.3
214.16299	3.2
215.17914	20.6
216.18286	2.4
221.18852	3.1
233.18971	25.3
234.13356	2.3
244.09415	2.2
251.20119	20.4
260.11316	5.7
269.21115	5.2
307.22623	5.0
325.23669	55.0
326.24155	3.4
343.24789	27.0
344.25137	3.1
379.08176	3.9
379.15909	4.2
380.25061	14.4
380.29327	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	379.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	47.1
58.99864	5.7
65.88483	3.1
69.54468	27.4
70.06578	4.6
70.98100	11.1
77.00896	7.4
84.08133	6.9
85.02889	8.7
88.99155	8.6
98.27164	4.0
98.97575	13.5
101.00883	19.2
103.02425	3.8
105.03389	4.9
110.97556	3.7
115.02415	17.0
116.98604	15.0
117.01955	3.6
117.04023	4.1
119.01910	81.1
120.02083	4.5
121.01633	5.5
128.98596	10.7
131.01898	45.5
133.01753	9.5
133.03455	88.7
134.03580	4.3
134.99675	8.4
135.05023	6.6
137.02917	16.5
140.98547	4.4
143.01880	10.3
144.99854	7.5
145.03458	20.1
146.99594	19.5
147.01378	4.4
147.05034	4.3
149.02928	31.5
151.02667	6.2
151.04515	18.0
152.05727	6.9
155.01915	9.3
156.01883	4.1
157.03432	9.8
158.99696	7.7
159.01357	7.8
159.25516	4.1
161.01686	4.4
161.02968	31.4
162.99132	5.7
163.00763	4.7
163.04462	5.1
165.00734	15.0
167.04005	6.0
171.01382	34.1
171.05078	4.4
172.97752	6.0
172.99300	8.1
173.01433	6.4
173.02916	33.4
175.00879	9.6
175.04480	9.0
177.00729	17.1
177.02434	63.8
177.04019	3.4
185.03090	6.1
187.00870	7.0
189.00781	5.5
189.02419	100.0
190.98590	17.7
191.00279	11.0
191.02321	8.8
191.03967	27.1
193.00333	5.0
195.01816	5.6
195.03519	17.1
199.00906	19.3
199.08098	5.4
201.02435	28.1
203.00299	4.6
203.03937	10.6
205.00201	12.7
205.01979	4.3
207.03519	13.6
208.99683	13.2
212.04015	5.6
214.98596	8.3
217.01898	40.6
218.66525	4.1
219.01744	12.7
219.03656	23.5
219.07481	4.0
221.05069	17.0
223.01328	18.0
223.03156	5.4
227.00325	40.8
229.01932	23.1
231.01517	6.1
231.03494	47.8
232.03789	4.0
232.99667	7.8
233.03300	4.6
235.02977	6.5
237.02757	4.3
239.06107	12.0
243.03474	12.0
245.01393	49.5
247.03008	6.7
249.04611	38.7
251.00655	5.1
254.99774	24.8
259.03101	56.9
261.04565	11.4
263.00613	5.8
271.02966	14.5
271.67331	4.0
273.01007	34.9
277.04080	65.4
281.01840	12.9
287.02466	41.8
289.03967	14.1
291.05765	5.2
305.03534	85.7
306.03525	5.3
319.12155	17.7
323.04620	13.0
328.05014	8.6
337.04105	4.6
347.04398	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	379.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	93.5
57.03415	2.8
58.76881	1.2
69.03400	5.5
70.06580	2.3
70.98102	6.0
71.65893	2.7
71.95242	2.0
74.06062	2.0
74.97607	6.4
80.97741	1.2
81.03414	1.7
84.96010	11.3
85.02892	9.8
86.09672	3.3
88.99139	7.5
91.05469	2.4
97.02875	4.7
98.97559	14.5
100.99126	5.1
102.97055	1.7
107.00172	2.3
110.97552	3.3
115.00631	1.4
115.50802	1.3
116.98598	9.6
118.99450	1.3
119.00164	8.0
119.04907	1.6
124.99084	2.0
127.03900	2.9
128.98566	9.0
133.01689	4.2
133.62592	1.4
134.99615	6.7
137.01207	3.0
137.05905	3.3
143.00136	11.7
144.98061	16.8
145.04947	1.3
146.99597	13.4
147.04390	3.3
148.97504	2.7
158.99599	5.5
161.01202	24.1
162.99121	36.0
165.00685	2.6
177.00801	7.0
179.02269	6.8
179.06982	1.7
181.00168	16.2
182.15091	1.2
186.99130	5.4
187.54286	1.6
191.03891	1.8
199.01227	2.7
201.00740	1.8
205.00150	41.7
208.04834	2.0
215.02080	1.8
217.05402	1.7
219.01799	2.7
220.99861	1.9
223.01224	100.0
224.01451	2.0
228.01764	3.7
237.02713	5.5
241.02226	14.6
246.02841	7.0
247.01137	3.9
248.99158	2.0
265.06171	2.1
273.02896	4.3
274.07013	3.8
275.00674	2.5
280.07025	9.5
280.57159	2.7
289.07443	6.4
291.03958	4.3
293.01785	5.0
308.16522	1.4
317.01709	4.1
319.12726	2.7
342.99493	2.1
361.00623	4.7
379.10016	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	377.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.5
55.05503	22.2
65.03919	4.2
67.05486	28.4
69.07056	57.2
79.05479	32.0
81.07048	63.0
83.04942	5.3
83.08585	12.7
91.05463	50.0
91.16481	4.3
92.05792	8.0
93.07021	74.3
93.27219	3.9
95.04961	44.0
95.08593	59.7
97.06483	7.8
98.20730	8.7
105.06331	7.4
105.07009	100.0
105.07714	5.6
106.07318	4.9
107.08585	46.2
109.06493	15.4
109.10148	34.1
115.05433	7.0
117.07008	10.9
119.08556	87.8
120.08877	5.3
121.06465	17.7
121.10130	39.5
123.08060	7.6
123.11670	18.2
128.06253	7.1
129.06908	9.3
131.08543	28.5
133.06610	5.4
133.10107	47.6
135.11737	8.5
137.13214	11.9
137.87022	4.5
141.06941	8.0
142.07753	17.5
143.08536	30.4
144.09265	9.3
145.10107	55.1
147.11635	32.9
149.13268	6.9
155.08514	12.3
156.09335	8.1
157.10106	51.2
159.11674	39.5
161.09589	18.5
161.13223	14.9
167.08553	6.4
169.10091	20.6
171.11684	22.6
173.13263	14.7
175.11195	10.9
175.14795	15.3
177.16383	15.4
180.79172	4.5
181.10127	8.9
183.11615	15.1
185.13257	9.6
187.11130	6.9
189.16362	10.4
194.10963	5.4
195.11870	4.7
197.13176	14.4
199.14677	6.3
201.16270	6.0
203.17908	9.7
209.13187	9.8
211.14723	6.3
213.16327	6.8
230.82626	4.2
377.28235	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03924	1.7
54.53777	0.8
55.01863	0.8
57.03429	9.0
57.76978	0.8
59.04989	0.8
61.02917	4.1
69.03419	16.1
70.06578	1.1
70.42463	2.9
71.01328	2.9
71.04968	3.4
73.02923	1.9
75.04453	3.2
81.03413	4.3
99.04436	5.8
107.73206	0.8
117.05473	1.1
130.06448	0.8
135.40453	0.9
145.07622	1.3
145.62009	0.8
157.07578	0.9
170.07086	1.8
172.08678	30.4
186.10239	1.1
190.09799	1.4
195.92245	0.8
198.06593	7.6
200.08153	6.1
214.09729	1.3
216.07677	18.1
218.09201	1.2
243.08745	76.4
244.09229	1.1
359.13367	2.9
377.14502	100.0
378.14752	3.8
381.30698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26469	0.9
55.01862	3.6
55.05502	1.2
57.03424	2.1
59.24129	0.9
61.02912	4.8
61.88392	0.9
64.32098	1.0
67.05503	1.8
68.99779	7.3
69.03413	2.5
69.74444	6.8
70.06575	1.4
79.05473	2.8
81.03404	5.5
81.07053	1.3
83.04959	1.2
85.02898	8.0
87.00815	10.2
87.04452	1.1
91.05460	4.7
93.07010	2.1
95.04949	2.2
95.08604	0.9
97.02877	4.0
98.20694	1.5
99.04385	1.6
103.05439	2.8
105.07019	3.8
107.04921	2.3
109.02888	1.4
110.54008	1.0
111.04388	1.6
115.05421	8.5
117.06986	4.2
119.04929	1.2
121.06491	1.4
123.88137	0.9
127.38395	0.9
128.06218	7.7
129.01839	4.2
129.07030	6.7
130.07774	2.3
131.04903	3.6
132.05594	1.0
133.06487	2.5
135.08015	1.1
137.05959	4.2
139.99567	0.8
141.06984	12.0
142.07787	2.1
143.04906	4.1
143.08545	4.1
144.05681	9.3
145.06439	5.5
145.10115	2.1
146.03574	1.1
147.02939	1.3
147.04347	1.9
147.08092	1.8
148.05148	2.2
149.06090	1.2
151.07541	1.8
152.06160	5.3
153.06953	3.6
155.04918	1.7
155.08516	2.3
157.06487	5.2
157.10077	1.6
158.07251	13.5
159.04462	1.6
159.08060	5.8
160.05170	4.5
160.08803	1.3
161.05963	26.3
161.09595	2.7
162.06757	5.1
163.07538	2.8
165.05618	1.0
165.06918	5.4
166.07748	2.1
167.08539	10.7
168.05803	1.3
169.06465	11.3
170.07248	4.1
171.02977	1.7
171.04388	5.1
171.08052	9.3
172.05186	6.4
172.08830	1.2
173.05997	2.5
173.09624	3.8
174.06715	7.8
174.60701	1.0
175.07524	16.8
176.08205	1.6
177.05553	1.6
177.06972	2.2
177.09050	7.7
181.06436	6.6
182.07133	1.0
183.08052	2.6
184.05150	1.9
184.08827	2.2
185.06006	6.2
185.09584	4.3
186.06715	11.4
187.07513	39.8
188.04718	3.9
188.08195	2.7
189.05432	9.3
189.09099	9.6
190.06161	4.6
191.07028	10.6
194.07254	1.5
195.08009	14.6
196.08754	2.1
197.05902	5.6
198.06741	3.4
199.03891	7.1
199.05463	1.1
199.05786	0.9
199.07448	6.9
199.11134	2.2
200.04724	1.9
200.08163	1.7
201.09074	69.7
202.09558	2.3
203.07057	2.5
203.10619	8.0
204.07805	2.5
209.09660	1.5
211.07533	2.6
212.08272	5.7
213.05475	1.1
213.09108	11.1
214.06200	13.0
215.06927	2.2
215.10637	7.7
217.04935	13.3
217.08545	2.0
217.12085	1.3
223.07597	4.8
225.09036	2.3
227.06992	3.6
227.10625	40.9
228.11028	1.6
229.08578	13.8
230.09239	1.2
231.06543	1.1
231.10112	9.5
232.07256	31.7
237.09033	2.2
239.07042	1.1
240.07758	2.8
241.08539	1.2
243.10199	2.8
245.11771	3.7
255.10112	30.6
256.10614	1.4
261.11240	1.6
273.11160	100.0
274.11591	3.6
291.12170	5.1
299.09158	1.3
341.09598	1.1
376.57007	0.8
377.12195	3.7
377.19571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96971	5.6
55.01854	13.4
56.05011	7.6
56.96299	9.0
56.96558	88.6
58.99855	13.0
60.04512	13.4
60.99613	6.9
61.02903	12.9
67.05460	7.2
70.06578	25.9
70.98036	7.2
71.70094	11.3
72.08141	30.2
73.02896	11.0
73.89912	5.9
74.06053	9.5
77.00896	13.4
79.00639	21.9
81.03378	7.4
83.01321	6.9
84.04482	12.0
84.08113	12.9
85.02880	23.6
86.06059	6.0
86.09695	30.0
88.99135	6.4
91.02445	15.9
93.02185	22.3
97.02882	16.4
98.97556	22.0
101.00900	8.4
101.02354	17.6
102.05532	7.7
103.00626	19.4
103.02414	13.5
109.03498	10.9
111.03227	21.2
115.02377	7.7
115.03938	7.5
116.98593	26.1
117.01809	16.4
117.04003	8.8
119.01893	76.6
121.01644	66.3
121.03474	8.9
128.98595	13.6
129.01926	9.0
131.01889	40.3
133.01651	19.1
133.03484	34.3
134.60683	5.9
134.99640	22.1
135.03203	14.8
135.05057	9.9
137.02885	19.7
139.02676	22.7
143.01892	16.1
143.05571	6.6
145.03419	51.1
146.99600	36.4
147.01387	28.6
147.05023	17.7
149.02946	65.1
149.04802	12.0
150.03001	10.5
151.02664	100.0
153.04190	9.2
158.99603	13.1
161.01239	13.4
161.02986	34.1
161.04181	7.1
163.02705	16.3
163.04488	37.1
164.04681	7.4
165.00726	21.9
165.04286	23.7
165.06085	26.1
167.04018	16.1
169.03656	39.8
171.01393	13.8
171.99677	7.9
173.01190	11.9
173.02898	21.1
175.00883	52.4
175.02736	21.0
175.04393	10.4
176.00977	9.6
177.00668	71.1
177.02405	15.2
179.02219	18.6
185.03017	9.1
187.00929	9.5
187.04565	14.0
189.00798	12.8
189.02434	46.0
189.04004	13.2
189.05968	7.1
190.98628	18.9
191.02264	22.4
191.04001	44.0
193.01962	17.4
193.03802	17.1
195.01703	29.2
196.01224	9.6
197.01250	19.1
201.02408	16.7
203.02168	7.7
203.04034	23.3
205.00172	16.9
205.01828	15.3
205.05450	7.8
207.03491	29.5
209.03241	21.9
215.02251	15.1
217.01926	23.7
219.01736	21.6
219.03537	15.1
219.96988	6.3
221.03203	22.3
221.05183	9.6
222.99083	7.1
223.01225	27.4
226.02364	8.0
229.00014	12.0
229.01921	24.7
230.05049	7.2
231.01489	10.8
231.03546	54.9
232.96371	12.8
233.03255	6.9
235.02910	11.1
237.02737	13.0
239.04173	12.4
242.99899	11.7
245.05147	10.2
247.01158	40.5
247.02989	37.5
249.04671	36.0
250.97385	7.3
251.04529	7.5
253.07520	15.6
257.01428	90.1
258.01529	6.7
261.02438	15.4
261.04959	10.0
271.08591	14.3
273.03992	7.7
275.00327	24.2
275.02432	65.4
279.03903	24.3
285.00891	14.8
287.02472	10.8
289.02161	30.6
289.04065	31.7
293.03427	10.8
297.06461	44.9
299.05814	9.8
301.03802	7.5
303.01947	8.3
307.03448	70.3
317.03931	41.4
317.10864	8.4
319.05109	9.1
330.04898	9.6
335.04758	54.9
347.11737	7.3
353.05615	7.4
377.12372	10.8
392.38019	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	376.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05502	19.7
57.08205	5.0
59.04969	4.8
67.05496	81.9
69.07050	14.4
71.04980	76.4
71.08617	15.4
79.05480	18.9
81.07044	58.4
83.08604	15.2
85.06511	7.8
91.05455	22.6
93.07028	20.6
95.04950	8.4
95.08597	19.6
97.10159	15.6
99.08068	14.3
105.07012	10.6
107.08566	18.1
109.10152	56.4
119.08540	16.1
121.10105	6.2
123.11752	12.1
125.09613	18.7
133.10092	7.6
135.08078	5.9
135.11673	9.1
151.11186	6.0
151.34509	4.8
155.10649	14.3
155.14288	14.7
159.11694	6.7
168.99512	5.4
173.11713	100.0
177.12727	16.1
187.13271	77.1
203.12764	21.6
209.15298	6.0
218.44690	4.5
235.05943	7.9
241.17970	21.3
277.21561	30.3
309.24182	10.4
319.34631	5.1
345.13260	9.5
376.25580	7.1
377.23132	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	376.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05502	19.7
57.08205	5.0
59.04969	4.8
67.05496	81.9
69.07050	14.4
71.04980	76.4
71.08617	15.4
79.05480	18.9
81.07044	58.4
83.08604	15.2
85.06511	7.8
91.05455	22.6
93.07028	20.6
95.04950	8.4
95.08597	19.6
97.10159	15.6
99.08068	14.3
105.07012	10.6
107.08566	18.1
109.10152	56.4
119.08540	16.1
121.10105	6.2
123.11752	12.1
125.09613	18.7
133.10092	7.6
135.08078	5.9
135.11673	9.1
151.11186	6.0
151.34509	4.8
155.10649	14.3
155.14288	14.7
159.11694	6.7
168.99512	5.4
173.11713	100.0
177.12727	16.1
187.13271	77.1
203.12764	21.6
209.15298	6.0
218.44690	4.5
235.05943	7.9
241.17970	21.3
277.21561	30.3
309.24182	10.4
319.34631	5.1
345.13260	9.5
376.25580	7.1
377.23132	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	375.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01850	2.4
55.05513	17.5
57.07054	3.0
65.03925	3.9
67.05499	32.5
69.07058	13.0
70.96925	5.6
71.04979	2.3
77.03907	1.8
79.05480	32.9
81.07046	49.2
83.04969	3.0
83.08611	4.7
91.05466	53.8
93.07028	79.5
95.04961	40.0
95.08592	43.6
97.06499	9.9
103.05427	3.3
105.04439	2.5
105.07014	100.0
107.08582	49.0
109.06481	10.5
109.10147	19.6
113.72231	1.8
115.05402	2.5
117.06990	17.2
119.08562	85.7
121.06493	14.6
121.10128	65.2
123.08040	7.7
123.11715	3.5
128.06169	11.6
129.07008	15.5
130.07759	7.5
131.07649	3.6
131.08553	46.5
133.07527	2.0
133.10117	44.5
135.08022	3.6
135.11668	15.6
137.09528	2.3
141.06985	5.1
142.07759	19.4
143.08548	29.6
144.09319	6.0
145.10109	65.1
147.08012	2.6
147.11674	18.3
153.06941	2.4
154.07729	3.8
155.08582	10.4
156.09378	9.2
157.10106	38.3
158.10855	4.1
159.08080	5.5
159.11678	32.5
160.17261	2.0
161.09563	12.0
161.13252	4.1
165.07010	4.0
167.08569	7.1
168.09320	3.2
169.10094	19.9
170.10916	4.2
171.11682	16.4
173.09621	3.8
173.13235	16.6
175.11134	6.5
175.14816	10.0
179.08521	5.9
180.09372	3.6
181.10071	10.4
182.10844	4.1
183.11671	14.2
185.13235	10.5
187.11183	6.4
187.14818	17.2
192.09348	2.9
193.10088	6.6
194.10962	2.3
195.11661	9.8
196.12396	3.5
197.13258	12.0
199.14853	8.8
201.12671	2.5
201.16399	5.0
203.31197	2.2
206.10910	4.9
207.11656	7.2
208.92126	2.1
209.13187	11.3
211.14758	8.2
213.16370	3.0
220.12564	2.4
221.13222	5.1
223.14784	5.9
225.16376	4.1
227.14220	2.4
233.13319	2.1
235.14751	2.9
237.16267	2.2
239.17799	2.9
251.17865	2.1
253.15852	3.3
253.19391	4.1
261.16537	2.4
265.19681	2.3
267.20990	2.7
357.25684	5.3
375.26752	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	375.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10674	0.6
53.03938	1.1
54.69491	0.7
55.01851	2.0
55.05495	1.3
56.96549	0.7
57.03424	1.1
59.07296	0.6
65.03923	2.6
67.05486	3.6
69.03403	2.2
69.07052	1.0
70.03742	0.7
70.06578	1.7
71.04975	0.8
71.70457	0.9
72.08149	7.7
77.41132	0.6
79.05472	2.5
81.03403	17.2
81.07055	2.4
84.04492	6.0
84.08118	2.0
85.02890	7.5
85.04825	1.6
86.03218	1.6
86.09167	1.2
86.09692	19.3
87.00815	1.8
87.10016	5.3
91.04928	1.1
91.05466	12.4
92.05801	4.5
94.04176	1.5
95.04940	2.5
95.08625	0.8
97.02872	2.5
98.03250	0.8
99.04418	1.2
102.05533	2.2
103.03973	0.9
103.05440	1.1
105.01865	3.3
105.03417	0.7
105.07042	1.3
107.04944	1.6
108.02093	2.2
109.02841	2.4
109.06525	2.1
111.04422	3.0
115.05429	3.0
117.07019	2.0
119.04952	1.3
120.08067	2.2
121.10125	0.8
122.03647	3.9
123.04467	0.9
125.05964	2.2
127.03876	4.2
128.04251	1.7
128.06200	2.7
129.07008	7.8
129.10217	1.6
131.04895	2.7
131.08536	1.0
132.10167	6.0
133.06470	0.9
133.10475	2.6
135.04385	1.0
137.05954	53.1
138.06310	0.9
139.47861	0.6
141.05472	4.0
143.04887	4.5
145.04987	0.9
145.06450	2.1
146.05231	0.8
147.04399	1.2
147.08051	1.9
148.03925	2.5
149.05952	1.4
151.03886	100.0
151.04977	8.5
152.04243	1.6
153.05487	3.6
153.26547	0.7
157.06464	9.0
160.05199	1.6
161.05930	3.3
161.09648	1.5
163.03886	1.8
165.05463	2.7
166.04977	1.2
167.07025	2.7
170.11789	1.0
171.04384	3.7
173.06013	0.9
175.07515	5.4
176.04587	1.4
177.05446	1.1
177.08994	0.8
182.12834	0.9
183.04559	1.0
187.07532	1.8
188.04668	1.1
189.05443	1.6
189.09074	7.9
191.07036	7.3
193.62984	0.7
197.12946	1.8
198.13222	2.3
199.03912	2.3
203.07011	25.4
205.08545	6.7
215.07051	1.5
215.13943	3.0
216.14183	4.0
218.07256	1.1
219.08051	1.0
221.08047	6.8
226.12686	0.8
233.08087	5.3
235.07526	1.4
243.06595	0.8
243.13414	1.2
244.13803	1.8
246.06499	1.0
247.07503	1.4
255.10114	1.0
259.63763	0.7
261.09039	1.3
263.06970	1.1
264.07724	0.8
265.08484	0.7
273.11444	0.9
277.08508	2.1
279.10135	2.6
285.07721	0.9
286.08286	6.2
295.09561	1.6
301.11752	2.1
306.08646	0.8
307.09671	3.9
309.11008	1.1
311.12930	1.9
312.09839	1.0
321.11218	4.1
322.27197	1.7
327.12183	8.1
339.12244	6.0
339.29971	2.2
345.13058	1.2
357.13428	7.8
357.31046	2.6
375.14407	2.3
375.32181	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	375.1434
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.10674	0.6
53.03938	1.1
54.69491	0.7
55.01851	2.0
55.05495	1.3
56.96549	0.7
57.03424	1.1
59.07296	0.6
65.03923	2.6
67.05486	3.6
69.03403	2.2
69.07052	1.0
70.03742	0.7
70.06578	1.7
71.04975	0.8
71.70457	0.9
72.08149	7.7
77.41132	0.6
79.05472	2.5
81.03403	17.2
81.07055	2.4
84.04492	6.0
84.08118	2.0
85.02890	7.5
85.04825	1.6
86.03218	1.6
86.09167	1.2
86.09692	19.3
87.00815	1.8
87.10016	5.3
91.04928	1.1
91.05466	12.4
92.05801	4.5
94.04176	1.5
95.04940	2.5
95.08625	0.8
97.02872	2.5
98.03250	0.8
99.04418	1.2
102.05533	2.2
103.03973	0.9
103.05440	1.1
105.01865	3.3
105.03417	0.7
105.07042	1.3
107.04944	1.6
108.02093	2.2
109.02841	2.4
109.06525	2.1
111.04422	3.0
115.05429	3.0
117.07019	2.0
119.04952	1.3
120.08067	2.2
121.10125	0.8
122.03647	3.9
123.04467	0.9
125.05964	2.2
127.03876	4.2
128.04251	1.7
128.06200	2.7
129.07008	7.8
129.10217	1.6
131.04895	2.7
131.08536	1.0
132.10167	6.0
133.06470	0.9
133.10475	2.6
135.04385	1.0
137.05954	53.1
138.06310	0.9
139.47861	0.6
141.05472	4.0
143.04887	4.5
145.04987	0.9
145.06450	2.1
146.05231	0.8
147.04399	1.2
147.08051	1.9
148.03925	2.5
149.05952	1.4
151.03886	100.0
151.04977	8.5
152.04243	1.6
153.05487	3.6
153.26547	0.7
157.06464	9.0
160.05199	1.6
161.05930	3.3
161.09648	1.5
163.03886	1.8
165.05463	2.7
166.04977	1.2
167.07025	2.7
170.11789	1.0
171.04384	3.7
173.06013	0.9
175.07515	5.4
176.04587	1.4
177.05446	1.1
177.08994	0.8
182.12834	0.9
183.04559	1.0
187.07532	1.8
188.04668	1.1
189.05443	1.6
189.09074	7.9
191.07036	7.3
193.62984	0.7
197.12946	1.8
198.13222	2.3
199.03912	2.3
203.07011	25.4
205.08545	6.7
215.07051	1.5
215.13943	3.0
216.14183	4.0
218.07256	1.1
219.08051	1.0
221.08047	6.8
226.12686	0.8
233.08087	5.3
235.07526	1.4
243.06595	0.8
243.13414	1.2
244.13803	1.8
246.06499	1.0
247.07503	1.4
255.10114	1.0
259.63763	0.7
261.09039	1.3
263.06970	1.1
264.07724	0.8
265.08484	0.7
273.11444	0.9
277.08508	2.1
279.10135	2.6
285.07721	0.9
286.08286	6.2
295.09561	1.6
301.11752	2.1
306.08646	0.8
307.09671	3.9
309.11008	1.1
311.12930	1.9
312.09839	1.0
321.11218	4.1
322.27197	1.7
327.12183	8.1
339.12244	6.0
339.29971	2.2
345.13058	1.2
357.13428	7.8
357.31046	2.6
375.14407	2.3
375.32181	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	375.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
56.96544	7.8
57.03426	3.8
58.99864	4.0
60.77996	1.2
61.02904	3.2
69.03423	1.8
69.59346	9.0
70.06573	9.4
70.98121	1.2
70.99857	3.1
71.62575	1.2
72.08135	1.7
73.01382	1.6
73.02901	2.6
77.00891	3.9
82.99834	2.4
84.08128	11.7
85.02883	3.9
86.09686	5.4
86.99331	1.4
88.26797	1.3
88.99145	1.5
89.00883	1.9
91.02438	6.2
95.01886	2.3
97.02882	2.3
98.20721	2.7
98.21376	3.1
98.97561	6.3
101.00859	31.3
101.02380	1.3
102.00949	1.8
103.02459	2.3
105.00318	2.0
105.32010	1.3
108.97772	1.6
109.03474	4.5
110.97574	1.6
112.08707	2.1
113.00877	4.6
113.03456	10.1
115.02420	15.8
115.03925	1.2
116.98615	2.6
117.03961	1.6
119.01899	100.0
120.01984	3.9
121.03474	2.0
126.98739	6.6
127.01503	1.3
127.02403	1.8
127.03912	2.0
129.03993	3.4
129.10211	5.3
130.93279	2.7
131.01889	19.6
133.03445	48.7
133.04956	2.7
135.05087	1.4
135.40991	1.3
137.02940	14.5
141.00372	2.5
142.03490	2.6
143.01889	9.9
144.99805	44.8
145.03423	10.6
146.00021	1.5
147.01329	7.7
147.04990	4.6
147.11363	1.2
148.94334	1.3
149.02939	17.3
151.04559	6.1
157.03532	1.8
159.01353	14.7
160.01549	1.5
161.02948	18.0
163.00845	7.5
163.04478	7.1
165.02472	2.5
167.04036	3.5
168.01358	1.7
168.99799	27.0
169.99950	1.5
171.01341	10.3
172.13298	1.8
172.94302	2.0
172.99306	16.3
173.02908	12.6
173.12857	1.4
173.99390	1.3
175.00832	11.2
175.04597	1.4
175.11847	2.3
177.02397	27.3
179.97363	1.5
182.03410	1.3
185.02927	4.5
187.00848	52.9
189.02318	19.5
190.95422	2.3
190.98708	2.4
191.00299	13.6
191.03993	12.1
193.00328	1.5
193.01984	4.9
195.03481	3.5
196.99208	7.0
199.00809	14.4
201.00616	2.0
201.02409	13.2
201.12332	1.7
203.00438	2.3
203.03854	2.4
204.96979	1.7
205.00053	2.0
205.01917	23.3
206.02377	1.8
207.03578	6.0
208.96419	2.6
210.02400	1.6
212.98816	4.0
215.00328	50.0
216.00549	3.5
216.98709	1.8
217.01918	31.8
218.02150	2.2
219.01848	1.6
219.03534	20.6
220.03482	1.4
221.01695	2.6
221.05008	2.8
223.02995	10.0
224.98827	2.3
227.00345	9.1
227.02452	1.4
229.01892	12.8
230.99968	6.5
231.03548	4.1
233.01407	4.0
235.03030	3.6
237.04810	2.2
242.99873	7.8
245.01430	18.2
247.02963	44.6
248.03206	3.5
249.04594	2.4
251.02492	3.7
254.99837	11.8
257.01321	2.2
258.99347	1.5
259.02972	5.2
260.96240	1.7
261.01138	1.5
261.04547	2.2
265.03958	21.0
269.01465	2.4
270.04428	2.5
270.99307	1.4
272.06439	3.0
273.00870	20.7
273.03537	1.9
275.02530	6.1
277.03940	4.0
279.05688	3.1
281.01913	1.8
283.05054	3.2
285.01019	6.0
287.02521	8.0
289.00613	2.0
289.03903	2.2
291.01862	2.1
296.02557	1.8
301.00418	15.0
302.96918	2.0
303.01974	4.4
305.03668	9.5
315.01907	42.4
316.02032	3.0
317.03406	2.0
319.01477	6.2
333.02963	23.1
334.03226	2.2
343.01419	17.5
345.03061	2.6
347.04617	2.0
351.04077	1.4
356.04587	2.1
361.02420	15.4
375.04056	7.1
375.23233	10.2
393.04810	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	375.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85735	3.7
54.30918	4.5
70.21423	10.1
70.21835	12.7
74.02419	5.8
84.04513	7.3
84.96043	4.5
85.02826	4.1
97.27193	3.6
98.97572	9.4
105.40603	4.2
113.01064	4.2
116.98650	5.3
134.04445	4.4
134.99814	15.8
136.99670	7.5
153.00903	12.4
155.00742	6.6
162.99394	12.0
163.01166	12.4
164.99109	5.9
172.19232	4.6
176.97409	5.3
177.00938	56.7
179.00711	9.5
181.02254	24.1
184.88268	4.4
185.01494	6.9
189.01208	7.1
189.02686	31.9
191.00722	17.3
193.00406	14.6
194.98492	5.5
199.02982	7.2
201.00989	5.4
203.02492	36.1
205.00427	17.9
205.02229	9.7
205.04036	8.1
207.00241	10.4
207.03824	62.4
207.48573	5.4
208.49223	4.3
210.99019	5.7
215.02472	5.9
217.00351	9.8
217.02252	26.7
217.03918	30.1
218.78763	4.8
219.00227	3.5
219.02020	75.6
221.01657	7.7
221.03558	6.4
227.02411	10.3
229.00409	10.0
231.02043	8.9
233.01837	22.4
234.99490	6.3
235.01514	21.8
236.99486	6.0
243.01918	15.0
245.00023	9.3
245.03554	57.4
246.64508	5.1
247.01355	9.1
258.99719	5.8
261.00851	6.1
261.03519	24.2
263.01129	13.0
264.99487	5.7
268.98395	7.1
269.03574	19.3
271.01523	28.1
272.99286	4.3
275.00995	23.1
277.00537	6.3
279.02347	15.7
287.01166	8.8
287.04480	11.4
289.02539	19.8
291.00281	17.2
302.48715	6.7
302.98996	6.5
304.99832	50.0
308.99805	9.2
315.00494	37.5
323.01270	8.2
330.47357	5.4
333.01703	92.7
333.05438	10.0
341.98593	19.3
342.48456	15.7
342.98679	13.5
345.00348	6.3
351.01035	100.0
351.48718	8.8
352.31839	7.3
352.66553	5.9
371.98886	5.3
375.02789	5.9
375.06339	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88433	0.3
52.83518	0.4
55.01852	0.3
55.05499	1.0
58.06600	2.7
69.07059	22.2
70.06585	0.4
71.68835	0.7
72.08147	5.2
73.06555	3.1
76.07609	0.4
79.05495	2.0
84.04475	0.9
84.08124	2.1
96.08117	0.7
97.06522	8.4
98.06065	2.2
98.09673	2.7
112.07595	0.4
112.11238	2.3
115.07558	11.8
117.27766	0.3
126.09145	8.6
129.13863	0.3
154.12253	13.8
168.13768	1.8
171.14899	0.9
172.13306	74.2
173.13641	1.2
186.14861	6.5
189.16022	0.4
190.35054	0.3
203.17601	0.5
209.04413	0.4
231.71466	0.4
243.20648	2.8
260.23318	3.6
345.75372	0.4
356.29102	3.8
357.27521	1.4
374.30093	100.0
375.30353	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	374.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
55.05496	2.5
56.05015	0.8
58.06597	4.9
65.11829	0.6
65.41615	0.6
69.07055	29.7
70.06567	1.8
70.53439	2.9
72.07764	1.0
72.08142	13.6
73.06528	3.7
75.09225	1.0
76.07610	2.0
79.05492	1.2
81.07028	1.7
82.06563	0.8
83.04958	0.7
83.08599	1.4
84.04487	3.6
84.08131	5.1
86.09686	2.6
96.08102	2.4
97.05941	0.9
97.06512	8.6
98.05457	0.8
98.06047	10.8
98.09677	8.8
99.34968	0.6
108.08086	0.7
112.07585	0.8
112.11228	10.2
113.06612	0.7
114.09163	1.3
115.07557	8.7
122.03254	0.6
126.09135	31.4
129.13857	2.1
140.05379	0.6
140.53448	0.6
145.02797	0.6
148.85136	0.7
154.12244	52.8
155.12643	1.0
166.02049	0.7
168.13811	10.6
171.14925	0.7
172.13303	93.8
173.13631	1.6
177.05467	0.8
186.14873	9.6
224.08511	0.7
225.19659	2.2
229.19073	0.9
242.22331	1.2
243.20641	9.3
260.23300	27.0
261.23499	0.7
338.28259	1.0
356.28989	17.3
372.06976	0.7
374.30060	100.0
375.30383	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	374.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	37.8
67.05488	100.0
69.07079	41.2
69.81622	58.4
71.04969	98.2
79.05472	51.3
81.07037	64.7
83.04945	9.2
83.08611	21.5
85.06516	9.3
88.49410	7.9
91.05462	28.5
93.07021	69.4
95.08598	47.8
97.06501	19.7
97.10153	41.0
98.20629	12.7
105.06997	26.2
106.92447	8.1
107.08591	51.4
109.10122	63.5
119.08560	21.9
121.10126	28.6
125.09593	35.2
131.08505	16.3
133.10088	25.2
135.08061	17.3
135.11662	21.3
137.09602	7.4
145.10127	17.5
147.11664	19.3
149.13213	9.9
151.11220	9.9
159.11665	41.5
165.93484	9.2
173.11725	69.2
177.12741	29.8
187.13277	39.7
203.12747	13.7
209.15266	15.3
241.17924	43.8
257.19006	13.9
275.19943	42.0
289.21667	15.2
299.16373	9.1
336.77145	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	374.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
58.06591	2.0
58.39853	0.2
63.02372	0.2
65.30901	0.2
69.84607	1.4
70.06573	0.3
71.08617	9.4
72.08144	5.5
77.03917	0.4
77.90348	0.2
84.08117	2.0
95.04944	0.3
99.08076	17.4
103.05445	15.3
104.05773	0.5
112.11211	3.4
128.10698	1.8
129.13815	0.6
131.04900	84.6
132.05212	1.8
155.15387	2.6
156.13808	79.2
157.14169	2.2
170.15388	3.1
181.91814	0.2
187.12228	0.5
188.10667	39.6
189.11063	1.3
202.10321	0.4
202.12230	7.6
203.12613	0.3
226.22746	0.5
227.21169	1.5
229.14613	0.3
244.23779	0.5
258.19598	0.3
259.17996	1.1
274.18228	0.2
276.20709	0.8
356.26889	2.0
357.25266	2.6
374.27945	100.0
375.28250	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	374.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71798	0.4
52.84341	0.4
55.05487	0.6
58.06579	2.1
70.06568	0.9
70.87881	1.0
70.88226	0.6
71.08242	0.7
71.08615	8.5
72.08141	7.7
72.92507	0.4
75.05828	0.5
79.05473	0.5
81.07039	0.6
82.88850	0.5
84.08133	2.6
93.07010	0.4
95.04956	0.7
99.08076	16.2
103.05449	15.1
104.05773	0.5
105.07012	0.6
110.93069	0.5
112.11207	3.3
128.10657	2.4
129.13814	0.5
131.04901	57.8
132.05243	1.6
155.15359	1.5
156.13809	92.4
157.14120	1.8
170.15381	1.7
188.10672	13.8
202.12228	7.7
226.22766	0.8
227.21179	2.8
244.23708	1.5
259.18042	1.1
276.20734	0.5
332.26660	0.5
356.26932	1.1
357.25299	1.7
374.27939	100.0
375.28073	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	374.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54964	7.0
54.94208	6.4
55.05495	28.3
59.84330	8.5
60.76327	6.9
60.76643	6.6
67.05496	42.0
69.07049	25.0
69.91682	8.0
71.04981	100.0
79.05466	36.4
81.07037	63.1
83.08589	17.5
90.09209	7.0
91.05473	24.3
93.07022	45.2
95.04986	12.3
95.08585	34.1
97.06536	12.9
97.10155	23.4
98.20648	19.3
105.06992	22.4
107.04931	9.9
107.08569	47.3
109.06541	8.6
109.10126	17.5
117.07031	15.2
119.08561	26.4
121.10007	8.0
125.09629	17.2
131.08545	21.1
133.10123	14.4
135.11673	24.2
149.13243	12.2
159.11679	33.0
173.11740	14.3
177.12706	25.4
187.13255	12.7
203.12720	16.0
209.15395	11.3
212.53915	8.5
221.13280	8.8
241.17943	56.8
275.20145	35.8
307.22675	16.8
321.24130	9.6
364.63425	8.9
365.30850	8.8
374.30728	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	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26215	0.5
53.03950	1.2
55.01861	2.6
55.05519	0.8
55.25821	0.6
56.05045	1.8
56.96569	1.0
57.03442	1.9
58.06605	0.6
60.04513	0.6
61.02901	2.4
65.03942	2.3
67.05501	1.7
68.05059	0.5
68.99781	1.2
69.03417	9.9
69.07055	3.4
69.44756	0.9
69.45159	4.7
70.06590	2.2
71.01355	0.5
71.04987	1.1
71.08645	0.9
72.08157	2.2
73.02905	1.9
74.06048	0.6
75.47195	0.5
76.50856	0.5
78.05904	0.5
79.05469	0.8
80.05046	0.5
81.03409	12.9
81.07043	1.1
84.04491	28.4
84.08134	1.7
85.02893	28.0
86.03234	0.5
86.09693	100.0
87.00324	1.0
87.00817	12.7
87.04443	0.6
87.10039	1.7
91.05465	70.8
92.05801	1.3
95.04955	1.0
96.04474	0.7
97.02876	10.5
97.06505	0.7
99.04439	4.4
99.08074	1.2
102.04881	0.9
102.05524	12.9
103.03918	1.2
103.05392	0.9
105.01848	17.8
105.06998	2.1
107.04941	0.5
107.08523	0.5
108.02066	0.7
108.04462	1.6
108.79048	0.5
109.02850	8.8
109.06504	0.9
111.04421	1.1
112.11192	0.7
113.07091	1.6
115.03922	0.7
115.05416	0.9
116.07042	0.9
117.01790	1.3
117.03317	1.1
117.07004	1.3
118.79536	0.5
119.08597	0.9
120.08099	0.9
122.03617	1.6
123.04374	0.6
125.02264	0.5
126.05482	0.8
126.09084	0.8
127.03898	22.0
127.04844	1.1
128.06180	1.2
129.01736	0.9
129.05708	0.6
129.06653	3.5
129.10175	0.6
131.04892	1.1
132.10185	37.4
133.06467	1.0
133.10472	0.7
136.07549	0.7
137.05954	19.5
141.05421	1.9
141.06528	3.3
143.04858	1.6
145.02774	2.1
145.04941	9.3
145.06383	2.5
147.02812	0.9
147.04356	0.6
147.07964	1.0
148.03914	1.0
149.05960	0.7
151.03886	37.4
151.04974	3.0
152.10606	2.3
153.05362	1.9
153.06627	0.5
154.12228	0.8
156.13847	4.0
157.06450	4.7
159.02870	4.7
159.04114	0.8
161.05879	1.0
161.09604	0.6
163.07500	0.7
165.05394	0.7
167.06976	1.0
170.11760	2.8
171.04356	1.3
172.13329	3.9
175.07503	3.1
176.04626	1.0
177.03943	0.6
177.05415	5.0
181.06293	0.8
187.07397	0.8
189.03806	1.6
189.09113	2.8
191.06850	2.1
197.12817	19.4
199.03761	0.9
199.07404	0.9
203.07004	10.1
205.08432	2.2
213.03769	1.5
215.06927	0.8
215.13884	29.9
217.08438	1.0
221.07880	2.0
225.12296	5.7
231.04977	4.6
233.07845	2.2
243.06488	0.6
243.13347	10.4
245.18530	2.9
247.07193	0.7
248.07471	0.6
249.05917	1.4
285.07452	0.6
286.08029	2.1
295.09338	0.6
301.11188	0.6
303.08322	0.5
307.09259	1.0
314.11353	0.9
321.10651	1.5
327.12173	3.5
338.20392	0.7
339.11801	2.0
356.21793	0.8
356.28427	1.5
357.13544	2.6
374.13635	1.0
374.30115	6.6
375.14142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.7
55.05481	0.6
57.03419	0.7
67.05472	1.2
69.07053	1.1
70.06583	2.3
71.04980	0.9
71.08611	0.9
71.70160	0.9
71.70518	0.5
72.08143	1.9
74.06043	0.8
79.05469	1.1
81.03400	0.5
81.07040	1.1
84.08117	1.5
85.06538	0.6
86.09693	2.6
89.03907	10.1
91.05471	1.7
93.07053	0.9
95.04937	0.8
95.08570	0.6
97.06534	0.7
99.08068	0.7
103.05422	1.0
105.03377	0.9
105.07001	0.8
109.02877	0.5
109.10123	0.9
112.11254	0.5
117.03362	27.7
118.03672	1.0
120.08014	0.6
121.02827	0.6
124.73193	0.4
126.09115	0.5
128.10719	0.7
128.69563	0.4
131.04930	0.9
133.10089	0.7
134.03596	1.6
135.04385	3.8
137.05931	2.0
145.02827	57.6
146.03163	2.4
149.05969	10.5
151.03860	1.1
153.05412	0.7
154.12202	1.2
156.13808	6.6
158.06032	0.6
163.03889	10.4
165.05208	0.5
167.07018	1.4
168.07346	0.6
172.13319	2.6
177.05443	100.0
178.05762	4.2
182.00844	0.5
186.05461	2.2
189.05426	0.8
191.03326	0.6
199.03813	0.8
203.06911	0.6
235.07381	0.5
260.23297	0.8
297.04019	0.8
303.35153	0.6
314.11765	0.7
341.03586	0.5
356.12128	0.8
356.21777	1.1
356.28992	1.5
357.05869	0.8
374.14218	3.2
374.29968	5.5
375.04883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01335	0.5
52.50489	0.5
53.00587	0.5
53.03927	1.7
55.01863	2.8
55.05500	1.2
56.05026	1.9
56.78309	0.5
56.96542	0.6
57.03428	1.8
57.07069	0.6
57.66267	0.5
61.02913	1.8
65.03924	2.2
67.05489	0.9
68.99776	1.0
69.03424	8.2
69.07053	2.8
69.67649	4.6
70.06590	3.4
71.04984	2.1
72.08143	3.3
73.02908	1.7
73.78854	0.5
74.06040	0.6
75.31753	0.5
79.05492	1.0
81.03413	7.5
81.07056	0.9
82.06594	0.8
84.04491	26.9
84.08124	1.5
85.02895	25.8
86.09692	100.0
87.00816	10.3
87.10029	1.6
88.03980	0.6
91.05467	57.9
92.05780	1.4
93.07037	1.0
95.04964	1.3
95.08569	0.6
96.04483	1.4
97.02882	9.8
97.88527	0.8
98.20641	0.5
98.97588	0.8
99.04422	3.3
101.07526	0.5
102.05524	12.3
105.01849	15.2
105.07014	2.1
107.04946	1.1
108.04462	1.1
109.02858	7.0
111.04454	1.0
113.07136	1.0
116.07044	1.0
117.03336	1.2
119.01592	0.6
119.04963	0.6
120.08100	1.9
121.10125	0.7
123.04359	0.8
127.03894	17.3
129.01852	1.0
129.06499	4.5
129.10275	0.8
130.05022	0.8
132.10185	30.9
133.06512	1.2
135.04411	0.8
137.05951	7.1
141.05588	0.8
141.06532	3.3
143.04913	0.6
145.02855	2.5
145.04953	8.2
145.06497	1.4
148.03923	0.6
149.05984	1.2
149.93729	0.5
151.03899	11.9
151.05025	0.9
152.10716	2.1
156.13814	2.0
157.06473	1.2
159.02847	3.7
163.03911	1.7
167.07053	1.3
170.11763	3.0
172.13272	3.3
174.06657	0.6
175.07503	1.6
177.05469	6.1
189.03920	1.7
191.06932	0.8
195.06563	0.6
197.12839	19.0
199.03928	0.6
199.07520	1.1
203.07051	2.2
205.05057	0.8
205.08514	0.9
213.03986	1.1
215.13878	30.1
217.08696	0.7
221.08089	0.8
222.07619	1.0
225.12303	7.6
228.03368	0.6
231.05006	4.9
243.13353	12.1
243.15617	0.9
245.18605	2.1
248.07645	0.9
249.05908	1.3
286.08508	0.8
320.13669	0.6
327.12201	0.8
339.12302	0.9
354.15637	0.8
356.21979	1.2
357.13354	1.2
374.13986	0.9
374.30075	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	373.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27980	0.4
66.99673	0.4
69.07043	0.5
69.65224	3.5
70.06554	1.0
72.08121	1.4
84.04476	0.8
84.08138	2.3
85.02876	1.0
86.09685	1.9
91.05781	0.8
98.67520	0.4
108.51815	0.4
109.65881	0.4
117.03392	0.5
125.11694	0.4
127.04012	0.5
129.10237	1.8
145.02812	1.7
145.04785	0.7
149.05890	0.5
159.07655	0.4
159.65076	0.4
163.03966	0.5
177.05450	5.6
193.12061	0.9
195.06514	3.1
203.05238	5.0
233.04471	0.6
261.03946	2.4
271.02490	0.7
273.03952	0.7
281.83820	0.5
289.03384	17.7
290.03635	1.7
373.18265	100.0
374.18610	5.7
374.30072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
52.88978	0.4
55.01856	0.4
57.03422	3.0
61.84833	0.3
69.03429	0.6
69.07050	1.7
70.06566	0.5
71.01336	3.6
71.09997	0.9
73.02915	5.0
75.04472	0.7
78.03441	3.7
78.31612	0.3
79.04212	0.5
80.05009	3.5
83.01340	0.7
84.04459	0.7
84.08130	0.7
85.02892	10.2
86.09708	1.1
95.01306	5.1
96.04488	3.1
97.02869	0.8
97.06506	0.5
99.00811	1.2
101.02361	1.5
103.03935	1.4
106.02902	18.9
110.07160	0.5
113.02361	3.7
115.07563	1.0
124.03933	100.0
125.04292	2.1
126.09159	0.9
131.03401	2.5
137.46751	0.4
141.01801	11.4
154.12216	0.6
157.92235	0.4
159.02890	1.9
163.05913	0.4
172.13313	3.9
180.06529	15.4
198.07591	79.9
199.07904	2.4
199.41624	0.4
290.03409	0.5
343.63232	0.4
374.10803	4.7
374.30084	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	373.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.9
56.68642	0.3
61.69411	0.3
63.91769	0.3
69.07064	0.4
70.06580	1.5
70.85803	0.5
70.86165	0.9
71.08604	0.6
72.07769	0.4
72.08143	6.5
77.11933	0.3
79.05479	0.3
81.07056	0.4
83.06068	0.8
84.04482	0.6
84.08125	1.3
86.09689	5.7
99.08072	1.1
108.04453	0.4
109.07610	0.4
116.07062	0.4
123.04379	0.4
126.05561	0.3
129.10211	0.7
130.03535	0.3
130.05011	0.4
137.05928	0.7
139.03891	0.4
143.11780	0.9
146.05986	0.4
156.13809	5.8
157.13351	1.1
161.09364	0.3
167.06984	0.8
171.11275	0.4
177.05492	0.3
178.28600	0.3
182.15364	0.4
185.12819	2.0
189.12263	1.6
211.12964	0.4
221.05016	0.8
227.21072	0.5
230.12967	0.4
244.23795	1.1
261.03659	0.3
289.03345	2.4
295.07382	0.3
312.22781	1.3
373.18265	100.0
373.27905	5.2
374.18625	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	373.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32814	0.3
55.05492	0.4
56.05018	1.1
56.63029	0.3
63.44746	0.3
67.05490	0.4
69.03408	0.5
69.07052	1.1
70.06583	1.5
71.33441	0.6
72.08146	3.6
74.06077	0.3
81.07046	0.4
83.06084	0.6
84.02192	0.3
84.04471	0.4
84.08129	27.8
85.02885	0.6
86.09692	7.8
86.60615	0.4
88.85793	0.3
91.05824	0.5
95.04924	0.4
96.08109	0.3
97.06500	0.3
101.10745	1.3
103.05424	0.3
109.10227	0.3
121.02832	1.2
126.09138	0.7
129.10217	20.6
144.06454	0.3
147.07590	0.4
152.14355	0.4
153.05490	0.4
153.12717	0.4
154.12242	1.1
157.13359	0.4
161.02928	0.3
170.11664	0.4
172.13316	2.8
177.05432	0.6
183.02840	0.3
189.12457	0.4
193.11987	1.4
195.13406	0.3
197.16476	1.3
199.18054	0.5
203.03516	0.5
203.05251	5.2
211.12939	0.5
219.88069	0.3
224.17511	0.4
225.15941	0.6
237.03967	0.5
242.18611	3.0
245.18600	0.5
253.12810	0.7
259.06436	0.3
260.19666	0.9
261.03937	0.5
273.03888	0.4
287.00653	0.3
289.03409	3.7
300.04565	0.4
313.02948	0.5
323.02866	0.4
373.18268	100.0
373.28052	9.2
374.18640	7.8
374.30191	3.0
399.78458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01866	4.5
55.57976	0.4
56.05013	0.5
57.03434	2.0
59.04956	0.7
61.02911	1.9
65.03925	4.5
67.01855	1.0
67.05486	1.7
68.99768	7.0
69.03423	2.3
69.07047	1.3
70.06591	2.0
71.01343	0.8
71.04961	1.4
71.70221	0.4
72.08143	2.3
73.02885	0.6
77.03907	0.7
79.01826	1.2
79.05490	2.7
81.03404	3.4
83.01328	0.4
83.04964	0.6
84.04529	0.5
84.08131	12.2
85.02888	7.8
86.09703	4.9
89.03889	0.9
91.05405	3.1
92.99776	0.8
93.03386	2.7
95.01304	1.2
95.04948	5.7
97.02872	3.6
99.00805	0.7
99.04447	0.4
100.07615	1.1
101.10777	0.6
103.05453	1.9
103.47075	0.4
105.03360	2.8
107.01292	0.6
107.04934	3.3
108.05518	0.4
109.02866	3.9
109.06529	0.5
111.00774	1.2
111.04428	3.7
111.53625	0.4
113.06006	0.7
115.05418	0.9
115.07531	0.8
116.07034	0.6
117.03342	0.7
119.04919	3.7
121.02847	100.0
122.03180	1.8
123.00790	0.6
123.03615	0.6
123.04418	5.9
127.03860	0.8
129.10214	9.0
131.04921	3.1
133.02844	2.8
135.04399	6.2
137.02315	2.0
137.05977	0.7
139.03880	1.1
141.01814	4.2
145.02811	3.2
147.04404	6.0
149.02296	2.8
149.05952	1.3
151.03885	3.4
153.01804	3.4
154.12263	0.7
155.03360	0.5
159.04382	1.7
161.02316	2.5
162.03157	0.7
163.00259	1.9
163.03877	12.2
165.01813	57.0
165.05486	1.4
166.02130	1.2
167.03395	1.3
170.11732	4.1
171.04347	0.5
171.12080	1.4
172.13297	4.4
173.02393	0.6
173.13641	0.8
175.03865	4.8
177.01814	10.6
177.05431	1.6
178.02383	0.4
178.99762	1.4
179.03358	4.6
181.01329	1.2
181.04895	0.5
183.02870	55.8
184.03204	1.2
187.03867	5.4
189.01791	22.0
190.02525	1.6
190.99754	1.7
191.03365	29.6
192.03682	0.9
193.01259	3.9
193.04980	1.9
193.94521	0.4
195.02885	3.6
197.00786	5.5
197.16397	1.0
201.01697	0.4
202.02551	1.1
203.03355	10.9
205.01308	1.2
205.04955	5.9
207.02863	21.8
209.00798	4.9
209.04387	4.3
211.02341	0.8
215.03331	8.4
217.01312	5.2
217.04956	0.8
219.02859	28.1
219.26964	0.4
220.03362	0.9
221.04391	2.9
223.02287	1.3
231.02852	62.6
232.03250	2.0
233.04431	12.2
235.02339	3.5
237.03928	5.3
242.18636	0.6
243.02827	7.8
247.06012	1.8
249.03905	32.9
250.04277	1.0
251.05460	1.5
255.06903	0.6
259.05984	41.9
260.06299	1.1
261.03909	39.6
262.04199	1.0
267.04968	1.4
271.05978	8.0
272.06424	0.5
273.03882	0.7
279.04959	27.7
280.05301	0.5
283.05951	5.9
285.03796	1.3
285.07510	2.4
287.05542	1.2
289.03372	6.9
297.05807	4.4
299.05240	0.7
301.06995	0.7
309.07495	2.0
311.05408	1.1
313.07022	15.5
325.07019	34.1
326.07245	1.5
327.08698	2.6
337.07031	6.1
343.08063	10.4
354.27173	0.6
355.08081	12.8
356.08243	0.7
372.28479	4.7
373.09140	17.5
373.28784	9.2
374.09290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01854	1.8
55.05498	9.8
56.04998	0.8
57.03417	1.1
57.07052	4.5
58.06588	4.3
59.04989	1.1
62.48841	0.6
65.28300	0.6
67.05483	2.7
69.03407	1.7
69.07055	15.1
70.06576	9.1
71.04978	1.0
71.08621	7.7
71.69414	0.8
71.69817	0.6
72.08142	38.0
73.06528	2.0
74.06048	0.8
76.09162	0.6
79.05484	3.5
81.03397	0.6
81.07034	2.5
82.06579	1.3
83.04944	3.0
83.08588	4.4
84.04493	1.3
84.08128	11.0
85.02882	1.5
85.06524	6.8
86.06045	1.9
86.09689	11.0
87.04471	0.6
91.05381	1.0
91.05833	1.1
92.05764	0.7
94.06615	0.8
95.04967	1.9
95.08580	0.6
96.08057	0.8
97.02855	1.0
97.06509	3.9
97.10147	3.0
98.06029	4.6
98.09673	2.7
99.08071	13.7
100.07609	3.0
100.11234	8.9
101.06004	2.9
103.05436	0.6
105.06985	1.9
106.07339	0.8
107.04906	1.2
107.08557	2.0
108.04458	2.0
109.02790	0.6
110.06007	1.3
110.09667	0.8
111.04414	8.2
111.08062	0.6
112.07596	4.4
112.11216	4.0
113.05990	4.4
114.09164	3.0
115.07558	5.6
116.10703	2.0
120.08096	0.9
121.10110	0.6
122.06001	1.2
123.04478	0.6
124.03933	0.6
124.07542	1.4
125.05864	0.6
125.09618	1.7
126.09124	9.4
126.09954	0.9
126.12766	10.4
128.07042	4.6
128.10675	2.8
129.05440	2.6
129.10165	1.1
129.13858	0.7
131.04907	0.7
133.06506	1.3
133.10072	0.7
137.05943	2.8
138.05411	1.2
138.06337	0.8
140.07045	2.9
142.12242	18.2
143.11719	1.0
146.05975	1.8
147.04436	0.6
148.07570	1.0
149.06007	0.9
149.09608	1.3
150.05432	0.6
151.03888	1.0
152.10666	1.3
153.05444	1.0
154.12225	5.6
156.13809	35.3
157.14172	1.6
161.05954	1.4
163.07474	1.3
166.04974	0.8
167.07056	2.8
168.06502	1.4
168.10158	4.9
168.13838	7.3
170.11742	9.8
170.15356	22.7
172.13286	11.9
175.07446	1.4
182.09407	1.3
182.15379	13.9
184.13243	0.8
185.16496	1.1
186.11223	10.3
186.14848	15.6
187.15100	0.7
187.18053	1.5
193.08635	1.3
194.09172	1.7
196.11378	0.7
199.18051	2.3
200.12738	1.2
200.16423	20.1
206.08206	0.9
207.10168	0.7
209.16565	0.7
210.11690	0.7
210.14847	17.0
211.08658	6.3
211.12250	1.4
212.09483	0.9
213.10194	0.9
214.18004	1.1
215.17528	1.1
218.08878	1.1
221.10646	0.8
222.09109	2.0
223.08704	0.9
223.12233	0.7
224.10689	2.4
225.10173	5.5
225.19646	0.7
226.08615	0.7
226.10863	0.8
227.17525	1.8
227.20988	0.9
228.15945	6.8
237.10057	0.7
239.08032	1.0
239.11736	7.3
241.09583	0.9
241.13336	1.2
241.19086	2.0
241.22688	4.4
242.14850	1.0
243.20636	1.2
244.23856	2.4
245.18561	1.4
249.10277	0.7
251.08090	0.8
252.09061	2.2
253.09708	4.3
257.22113	3.7
258.21640	0.7
260.23276	3.1
267.11249	11.2
269.12790	1.6
285.12231	1.4
288.05508	0.8
295.10788	5.2
313.11755	30.1
323.10168	1.2
336.26263	0.8
337.21136	9.0
341.11243	4.0
354.14252	1.1
354.23553	1.1
354.27484	9.1
354.31531	1.1
355.22156	8.4
355.29343	0.7
359.12408	1.4
372.28311	41.8
372.32196	100.0
373.13879	60.3
373.17487	1.5
373.23370	1.6
373.28067	4.4
373.32727	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	372.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05492	2.0
55.95242	0.3
56.05026	0.5
58.06590	1.9
67.05472	1.3
69.07056	17.8
69.74401	0.7
69.74812	2.0
70.06561	1.2
71.04980	16.5
72.04492	1.0
72.05305	0.4
72.07766	0.5
72.08143	6.7
73.06547	5.3
79.05462	1.1
81.07044	0.7
81.93551	0.3
84.04477	1.2
84.08123	2.2
85.06515	1.3
86.09689	0.8
87.26907	0.3
95.04948	1.1
96.08128	0.9
97.06517	6.0
98.06033	2.0
98.09647	2.6
100.07598	8.5
112.07580	0.7
112.11233	2.6
113.05985	6.7
114.09127	0.6
115.07553	8.3
121.02840	1.5
126.09126	7.1
129.13832	0.6
131.07037	0.4
139.03447	0.3
142.08641	1.7
154.12251	10.5
165.01753	0.7
168.13806	0.4
170.11736	39.1
171.12033	0.4
171.14908	0.5
172.13293	53.3
173.13634	1.5
183.02895	0.5
184.13295	5.8
185.13422	0.3
186.14847	1.9
189.01707	0.4
198.09175	0.6
231.02844	0.6
241.19003	1.7
243.20578	1.2
254.13852	0.6
258.21722	2.5
259.05945	0.5
261.03922	0.9
279.87421	0.4
289.03528	0.7
304.99734	0.4
325.07178	0.5
340.17413	0.7
354.19373	0.7
354.27441	3.9
355.25784	1.2
372.28513	100.0
373.28857	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	372.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
55.90400	0.5
57.07078	0.5
58.06599	4.1
65.03902	0.5
67.05474	1.5
68.13316	0.4
69.03432	0.7
69.07051	3.5
69.49535	4.1
70.06572	1.5
71.08621	10.7
72.07763	0.7
72.08144	9.4
74.06057	0.8
79.05495	1.0
81.07021	0.9
83.08596	5.7
84.08133	3.6
85.06540	0.8
86.06060	0.4
86.09674	0.6
95.08595	1.1
97.06524	1.5
98.06045	2.1
98.09699	0.7
99.08082	21.4
107.05000	0.5
110.84665	0.4
111.04453	0.9
111.08032	2.8
112.11227	3.4
113.05956	0.5
113.09637	1.1
115.07584	1.0
125.09585	0.6
126.09129	1.2
128.10664	2.3
129.09081	0.8
131.04892	1.0
137.05925	2.5
138.06306	0.8
142.12251	1.5
154.12177	1.4
155.15443	1.1
156.13818	98.6
157.14160	3.6
161.05962	0.6
163.45183	0.5
167.06987	2.0
168.07280	0.5
168.13817	1.6
170.11792	0.8
170.15372	4.0
172.13326	4.1
175.07474	1.2
182.15404	2.7
186.14868	10.1
187.07373	0.5
189.05440	1.1
193.08580	0.8
200.16435	6.2
210.18442	0.5
217.08629	0.7
218.08934	0.7
221.05951	0.6
225.10210	0.8
227.21153	1.7
228.19485	0.8
239.11891	0.6
241.22723	0.7
244.23955	0.7
257.22186	0.8
262.09332	0.6
267.11353	0.6
274.24927	0.8
285.03888	0.6
293.08041	0.8
313.11646	1.6
327.12024	0.7
354.14172	1.2
354.27399	0.8
354.31168	3.0
355.14902	0.6
355.29358	2.2
372.32172	100.0
373.13873	3.8
373.32498	8.8
386.38162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61399	1.3
53.03939	1.7
53.75450	1.3
55.01856	2.3
55.05494	2.9
55.95321	1.3
67.05482	2.8
70.06570	1.9
74.51991	1.3
79.05495	10.2
81.03391	1.5
81.07030	6.3
90.65083	1.2
91.05397	9.7
94.04172	3.6
95.04955	4.4
95.08552	2.0
97.06519	2.1
105.06995	4.5
107.04932	14.1
107.08582	2.4
109.06510	4.8
115.05437	5.9
116.06195	3.1
117.06983	2.5
119.04940	2.1
122.03649	9.5
123.04403	2.9
124.05197	2.6
125.05953	2.6
126.72226	1.2
128.06204	7.9
129.06993	12.3
131.04858	3.2
131.08562	12.0
133.06413	1.7
133.10081	4.0
134.26375	1.3
135.04425	1.5
137.05957	100.0
138.06317	2.5
141.06987	5.2
144.05687	9.2
145.06445	4.1
149.05972	1.9
151.03899	4.6
151.07520	4.6
152.04741	2.0
153.05443	1.7
156.05676	28.7
156.13847	2.4
157.06468	7.7
158.07213	4.2
159.08025	18.3
160.05130	2.0
161.05945	4.4
163.03877	2.1
165.05551	2.7
165.06897	1.9
167.07014	31.3
169.06447	3.8
169.07701	2.4
172.05156	3.2
173.13232	2.9
174.06729	7.5
175.07526	9.1
177.05397	4.4
178.07774	4.6
179.06992	2.0
184.05136	1.9
186.06749	3.2
186.39433	1.4
187.07498	20.6
189.07034	4.4
189.09103	4.1
190.06190	2.0
190.07755	4.1
191.08450	3.6
193.08580	2.4
193.10146	3.0
195.08092	2.1
199.17876	1.3
200.45331	1.4
201.09135	2.4
202.06166	6.3
202.07802	4.3
203.06876	2.6
203.08510	10.5
204.09334	1.7
205.06441	4.9
205.08347	3.2
205.10236	1.6
206.07297	8.4
207.07986	5.6
209.06061	1.7
210.06912	1.8
210.10323	1.3
215.06958	5.2
215.08762	3.2
217.06627	3.8
217.08569	84.3
218.07233	10.9
218.09004	2.1
219.08023	7.7
219.10138	5.8
220.08804	3.4
221.09621	11.2
223.07494	5.0
224.08202	1.7
226.06305	2.1
231.07988	9.7
232.08701	6.3
233.05862	2.9
233.09610	13.4
234.06738	10.9
234.10002	1.6
235.07448	11.8
236.08113	1.9
238.09866	4.4
239.06981	2.8
241.08589	6.5
243.08180	2.2
246.06778	4.1
247.07433	6.1
247.09648	25.7
248.08336	4.7
249.09081	22.8
250.09647	2.3
251.06982	6.1
251.10716	2.4
252.07716	3.6
259.07553	2.1
260.08362	5.4
261.09082	20.9
262.06165	4.7
262.09726	2.6
263.07004	11.9
263.10571	4.3
264.07605	2.9
265.08603	5.1
266.09219	5.1
267.09769	1.6
269.08026	4.1
275.06900	1.9
275.10709	2.2
277.08536	20.8
278.06036	2.0
278.09308	12.5
279.06451	5.5
279.09760	2.1
280.07251	2.4
281.08859	2.4
281.11597	10.4
283.09827	2.3
285.07556	5.2
289.08453	7.7
290.09409	1.8
291.06708	2.2
291.10022	5.4
292.07294	2.2
292.10605	2.0
293.08121	4.7
293.11685	13.8
294.08820	3.7
295.09570	6.1
296.10391	2.2
300.09982	7.4
301.10727	7.7
306.08844	6.0
307.09586	6.9
309.11151	24.5
310.11871	2.5
311.09036	4.0
313.10605	4.1
321.11163	24.5
322.11951	4.6
323.09256	7.1
326.11432	26.8
327.12180	4.2
338.11465	6.8
339.12238	2.4
341.13849	11.5
353.13815	45.4
354.14142	1.9
371.06833	1.9
371.14917	8.7
371.30673	4.9
372.31952	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
62.60523	1.3
67.05479	2.3
69.03388	2.4
70.04227	8.9
70.06568	6.1
71.04996	2.3
72.08127	4.4
73.04740	2.8
78.04711	1.9
79.05482	10.9
79.91280	1.3
81.07034	4.3
84.08100	2.7
85.02881	2.1
86.09689	4.7
91.05391	5.2
91.05791	7.8
94.04147	3.7
95.04956	4.5
97.02874	2.0
98.21367	2.4
100.14138	1.5
103.05435	5.5
105.06990	2.9
107.04927	14.6
109.06509	4.2
111.04394	2.8
115.05432	4.0
116.06161	2.7
116.07092	1.8
117.06960	2.9
119.04925	5.5
119.08608	1.9
120.08092	13.5
121.02835	3.0
121.06482	2.8
121.08403	5.9
122.03621	7.9
123.04388	2.0
125.05982	2.8
128.06206	6.0
129.06982	11.3
129.10222	2.1
131.04893	4.3
131.08546	10.8
132.05716	2.4
133.06442	4.5
135.04352	2.5
137.05949	100.0
138.06296	2.9
141.06931	4.7
144.05710	10.2
145.06477	4.3
147.04346	3.7
147.06532	1.7
147.08026	1.9
149.05917	3.6
151.03853	2.1
151.07532	5.5
153.05486	2.2
156.05673	25.7
156.13815	4.1
157.06387	5.1
158.07236	3.2
159.04294	2.2
159.08032	17.8
160.05212	3.3
161.05956	4.9
163.03909	1.8
163.07582	2.8
165.05377	1.7
165.06851	1.5
167.07007	43.3
169.06450	4.1
172.05165	5.4
173.05931	3.0
174.06721	5.3
175.07509	14.0
177.05426	6.4
178.07784	5.2
179.06984	3.1
179.08508	1.9
181.06396	2.5
181.08604	1.8
183.08060	1.7
184.05168	4.9
185.05934	2.1
186.06647	2.9
187.07526	22.6
189.07011	3.6
189.09062	8.9
190.07755	4.4
191.06970	5.4
191.08551	3.1
193.08519	3.1
193.10138	2.6
195.08060	2.8
201.08949	2.3
202.06200	7.6
202.07843	2.8
203.06880	2.9
203.08546	12.5
205.06453	2.0
205.08511	4.7
206.07205	6.7
207.08003	6.0
211.07420	1.9
215.06905	4.3
215.08543	5.2
217.08554	83.2
218.07213	14.1
218.08963	3.0
219.07976	8.5
219.10149	6.2
220.08798	3.1
221.09605	7.9
223.07434	3.3
226.06203	4.3
229.08533	3.3
231.08037	9.7
232.08688	6.1
233.09590	14.7
234.06673	10.9
235.07433	14.4
236.08206	1.8
237.09029	4.0
238.09837	2.8
239.07005	4.7
241.08585	12.4
243.08243	2.1
246.06757	6.1
247.07417	7.6
247.09642	24.1
248.08212	4.5
249.05382	1.6
249.09052	23.9
250.06190	1.9
250.09857	3.5
251.06979	7.1
251.10703	1.7
252.07800	4.5
259.07434	2.5
260.08313	6.0
261.09067	24.0
262.06308	5.1
262.09784	2.6
263.07004	15.1
263.10660	4.2
264.07703	4.5
265.05026	2.4
265.08591	5.5
266.09445	8.7
267.10077	2.8
268.97791	3.0
269.07944	7.8
271.05893	3.9
275.07056	2.7
276.07706	3.5
277.08566	19.9
278.09366	14.5
279.06488	5.8
279.10049	6.7
280.07175	2.8
281.11719	10.7
285.00919	4.8
285.07486	14.3
286.08286	3.3
289.08524	9.9
290.09128	3.2
291.06442	4.8
291.10028	5.6
292.07172	3.3
292.10614	3.0
293.08133	6.5
293.11673	21.9
294.08871	4.4
295.09534	7.3
299.05615	3.4
299.08902	2.2
300.09891	16.5
301.10773	13.1
306.08875	6.5
307.09589	9.9
309.11182	27.7
311.09106	3.2
313.10269	3.3
321.11099	29.7
322.11786	4.5
323.09073	10.9
326.11450	23.5
327.12170	3.2
338.11664	9.0
338.15173	2.3
339.12164	9.5
341.13834	15.4
343.11755	2.6
353.13779	60.9
354.14203	4.1
355.06845	3.1
371.10504	2.1
371.15485	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
57.47768	1.4
70.06541	2.5
71.04977	1.6
71.06512	4.1
79.05480	9.2
81.07037	3.1
84.08121	1.8
85.02868	3.2
91.05392	9.2
91.95634	1.4
94.04162	4.5
95.04946	2.8
103.05428	3.7
105.03379	3.1
105.07023	2.3
107.04942	12.4
109.06499	5.0
111.04463	1.6
115.05429	3.2
117.06938	2.0
121.02846	2.6
122.03622	11.1
124.05146	2.8
125.05962	3.0
128.06197	5.6
129.06970	10.0
131.04909	4.0
131.08534	10.1
133.06393	3.1
137.05949	100.0
141.06963	4.2
144.05687	8.6
145.06499	4.0
149.05952	3.4
149.09590	2.8
151.03842	3.4
151.07518	4.3
153.05464	2.2
156.05685	27.8
156.13831	1.5
157.06425	6.9
158.07205	3.0
159.08035	19.7
160.05267	1.7
161.05949	2.4
165.06880	2.0
167.07025	41.9
169.06412	3.5
172.05139	2.7
173.06023	1.9
174.06726	4.7
175.07530	8.7
175.57005	1.4
177.05353	3.1
178.07759	5.4
181.06500	1.5
184.05200	1.5
186.06685	2.4
187.07492	17.1
189.07016	3.7
189.09068	5.4
190.07753	4.0
193.08467	2.2
193.10088	3.7
195.08057	3.8
198.06569	2.0
202.06207	7.4
202.07831	3.1
203.06868	2.3
203.08525	9.2
205.06483	5.6
205.08412	2.8
205.10155	2.8
206.07246	7.7
207.08034	4.1
214.06165	1.7
215.06776	2.9
215.08568	6.0
217.06575	4.0
217.08557	69.2
218.07196	11.8
218.08974	2.3
219.08005	7.5
219.10178	5.4
220.08835	2.7
221.05983	1.8
221.09625	10.1
223.07547	4.5
226.06165	2.3
229.08591	2.0
231.07997	8.6
232.08783	6.6
233.05968	2.4
233.09544	15.3
234.06723	12.3
235.07474	10.5
236.08145	2.0
237.09106	2.1
238.09819	3.3
239.06989	5.2
241.08601	5.4
243.08147	3.2
243.59572	1.5
246.06625	4.5
247.07417	5.5
247.09633	20.8
248.08218	2.9
249.09073	22.3
250.06166	2.1
250.09749	5.6
251.07014	8.7
251.10703	2.4
252.07724	4.2
255.06354	2.1
259.07446	3.0
260.08212	4.4
261.09070	25.3
262.06302	3.7
262.09741	3.9
263.07019	9.9
263.10611	4.2
264.07751	2.0
265.08539	6.6
266.09357	5.1
267.10132	2.6
269.08038	2.9
271.05704	2.6
274.06168	2.3
275.06769	1.7
276.07901	2.6
277.08569	22.0
278.06143	2.1
278.09250	12.3
279.06427	7.4
279.09775	2.5
280.07193	3.6
281.08734	1.9
281.11636	9.7
283.09570	2.1
285.07550	17.6
289.08441	9.2
290.09021	3.0
291.06543	4.1
291.10138	4.4
292.07309	2.0
292.10651	2.5
293.08032	6.5
293.11658	17.4
294.08850	3.3
295.09595	5.0
300.09860	16.9
301.10559	8.3
306.08743	6.1
307.09531	6.3
309.11163	22.5
310.11667	2.9
311.09018	3.1
313.10553	3.7
321.11148	26.3
322.11899	4.0
323.09061	6.6
326.11487	24.4
327.12103	3.2
338.11502	7.2
339.12225	1.7
341.13626	11.4
353.09525	3.1
353.13766	43.2
354.14084	2.0
355.06958	2.1
371.14926	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	371.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13298	6.8
69.03412	11.1
71.69566	9.3
71.69984	12.9
84.04488	12.3
84.08118	9.9
85.02898	34.2
96.41698	7.1
97.02888	14.8
101.00897	7.9
111.65690	7.7
128.02271	7.8
130.75230	8.0
136.06207	12.8
151.99782	10.3
154.52145	8.7
161.02855	9.5
175.24605	8.2
177.00987	24.0
182.00774	12.3
188.01842	11.0
191.02425	17.7
203.02560	19.3
209.02191	8.7
218.02130	10.0
219.02061	57.5
229.00401	45.1
233.03546	31.9
243.02011	15.0
247.01477	31.9
287.01105	21.7
305.01981	10.1
329.02057	48.6
329.05499	10.2
330.02356	12.1
347.03049	38.0
371.07425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10516	0.7
55.01860	2.6
55.05503	5.7
56.05832	1.7
57.03421	1.7
58.06586	3.6
60.04513	0.9
67.05502	6.7
68.05820	2.1
69.07052	3.6
70.06582	0.7
70.07349	1.2
71.04964	1.2
71.08619	15.9
71.71161	1.4
72.08145	32.8
79.05492	5.4
79.54209	0.7
80.05785	1.1
81.03396	1.6
81.07049	5.1
82.07378	2.6
83.04964	2.4
83.08611	2.0
83.63879	0.7
84.08133	5.8
84.08934	0.8
85.02917	0.8
85.07652	13.9
86.00629	1.5
86.06055	10.4
91.05466	2.8
92.05813	1.0
93.07032	4.2
94.07345	1.7
95.04952	3.3
95.08591	3.6
96.05251	1.7
96.08966	1.0
97.06538	0.9
97.10149	1.6
99.08077	26.4
99.09126	1.6
100.07539	0.8
105.06992	2.2
106.07361	1.4
107.04907	1.4
107.08586	2.1
108.08894	1.5
108.47718	0.8
109.10123	1.8
110.10514	1.0
111.04434	1.1
111.08074	1.5
112.04773	0.9
112.11234	4.0
115.72030	0.8
116.10732	1.0
117.06962	0.8
119.04917	0.9
119.08546	2.1
119.94191	0.7
120.08883	0.8
121.10099	1.6
122.10458	1.0
123.04464	1.0
125.09581	1.1
127.03854	0.9
128.10695	5.2
129.06934	1.1
129.13799	1.3
131.08559	1.3
132.08823	0.7
133.10129	1.0
134.10406	1.2
137.05951	4.0
139.12263	0.8
140.10678	1.7
141.06927	1.1
145.10153	1.5
146.10480	0.9
147.11690	1.2
151.03943	1.3
151.10185	1.0
155.15376	1.0
156.05667	1.0
156.08377	1.8
156.13817	100.0
157.13147	3.7
157.14395	1.2
159.08025	1.2
163.11119	0.9
167.07056	3.0
170.15381	30.0
171.08209	0.7
175.07442	1.1
176.58708	0.8
187.07500	1.1
189.11211	0.9
189.77455	0.7
197.09264	1.1
199.18126	0.9
217.08598	2.7
220.29303	0.9
223.13417	1.0
225.13670	0.8
227.21176	6.7
243.07980	2.6
244.23900	5.9
249.09081	1.1
254.22249	59.5
255.20580	17.2
256.20822	0.8
272.23288	18.1
272.26187	0.9
276.20358	1.1
278.21304	2.7
293.07962	0.8
296.22113	1.1
321.11188	1.7
324.30032	3.0
325.28387	0.9
326.67734	0.8
342.31097	54.2
343.31543	2.7
352.29510	17.0
353.13770	2.6
353.29694	1.1
370.14044	1.1
370.20013	2.0
370.25607	3.8
370.30643	16.4
371.15302	1.4
371.19781	6.0
371.31119	1.1
373.66382	0.7
383.83426	0.9
388.20642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84845	0.2
53.35130	0.2
53.56693	0.2
55.05494	0.5
56.05009	0.3
58.06589	3.1
61.50337	0.2
69.82610	1.7
70.06574	1.1
71.08618	12.6
72.08135	1.4
73.04740	0.2
79.05462	0.3
81.15870	0.2
83.04998	0.2
84.08131	2.5
85.02901	0.4
86.06074	0.3
86.09679	0.2
86.97550	0.2
87.04440	0.3
91.05428	0.3
91.91769	0.2
92.19399	0.2
95.04961	0.3
97.02861	0.2
98.06036	0.6
98.09682	1.4
99.08077	21.1
101.08203	0.2
105.03374	6.4
106.03710	0.6
107.04942	0.3
110.07114	0.4
110.09642	0.4
112.11196	1.6
120.08064	0.7
121.02855	4.0
126.09109	1.4
127.03894	0.3
128.03397	0.2
128.10684	2.6
134.06030	0.3
137.05927	0.9
142.12244	0.4
146.11722	0.3
156.13811	100.0
157.14165	3.4
162.09125	5.5
167.07013	0.6
170.15417	0.4
174.88129	0.2
178.08624	1.8
180.10059	0.3
181.08517	0.2
184.08224	0.2
184.09602	1.3
192.10161	0.3
198.11238	1.7
198.14790	0.4
215.13840	0.4
217.08498	0.5
226.08932	1.1
227.13838	0.6
247.09647	0.3
249.09102	0.3
255.17001	0.9
272.19504	0.6
300.09937	0.3
307.82123	0.2
321.11307	0.3
326.11682	0.2
326.24240	0.9
352.25815	0.5
352.29596	0.3
353.13870	0.7
353.20514	0.4
353.24271	1.7
370.22998	13.8
370.26978	41.9
371.23306	1.2
371.27286	2.6
393.12592	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	370.2119
Annotation	Celafurine
Peak:m/z	Relative Intensity
53.03931	0.9
55.01862	0.5
57.03439	0.6
65.03920	1.7
69.03441	0.5
69.89725	1.9
69.90147	1.3
70.06563	1.8
71.04945	0.6
72.08142	8.0
73.04762	0.5
77.03931	0.7
79.05502	0.5
81.03412	0.6
81.07024	0.6
84.04479	0.5
84.08115	2.5
85.02866	0.9
85.06522	1.1
86.09691	0.8
87.04443	0.5
91.05401	1.2
91.05855	0.9
95.04951	2.1
97.02895	0.7
98.21331	0.9
99.08096	0.6
103.05475	0.8
105.03371	92.0
105.06985	0.9
105.56979	0.5
106.03699	3.3
107.04946	1.5
111.04428	1.3
112.11250	2.3
120.08076	7.1
121.02842	72.3
122.03173	1.0
124.03925	1.1
127.03870	0.9
129.10216	0.5
134.05997	7.5
137.05922	4.9
139.16423	0.5
139.21024	0.5
141.06969	0.5
145.06512	0.7
147.04387	1.6
150.05479	0.8
151.07562	0.7
152.07057	0.9
156.05666	1.9
156.13812	1.4
159.08008	0.6
161.06155	0.6
161.10718	0.6
162.09114	91.0
163.07504	0.8
163.09445	3.5
167.07027	4.1
175.07506	1.5
176.10629	3.1
177.10179	0.6
178.08606	35.2
179.07143	1.2
179.08951	1.9
179.11745	1.2
180.07259	0.5
180.13710	0.6
187.07536	1.2
190.07683	0.6
191.06990	1.2
192.10162	8.9
193.08659	0.7
217.08548	4.0
218.07274	0.6
219.07968	0.9
226.06166	0.5
233.16406	3.4
234.06741	0.7
247.09586	1.0
249.09090	1.1
250.19136	3.8
251.06999	0.6
261.09128	1.5
267.14929	1.0
268.11536	0.5
268.97809	1.1
277.08456	1.2
278.09296	1.2
285.01077	0.8
285.07629	1.2
286.04327	1.7
287.05371	1.8
289.08667	0.7
293.11639	0.8
299.05493	1.1
300.09921	1.4
301.10715	1.1
309.11166	1.6
321.11087	1.5
326.11313	0.6
330.34872	0.5
338.11148	0.5
341.13760	1.1
352.04996	0.8
352.20203	1.1
353.10129	0.6
353.13797	3.9
353.18304	1.0
370.06137	1.5
370.21179	100.0
371.07413	0.9
371.15045	1.4
371.21524	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	370.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07875	0.5
53.21559	0.5
55.01865	0.5
55.05499	1.7
56.05025	2.8
56.22174	0.5
58.06578	1.1
59.04964	1.2
60.07841	1.1
60.08152	19.0
63.01976	0.5
67.05489	5.2
69.03413	0.7
69.07056	1.0
70.06585	4.1
71.04979	12.6
71.07362	13.8
71.65787	1.0
72.08144	2.6
73.04739	0.9
73.06572	0.9
79.07946	0.5
81.03404	1.3
81.07027	3.5
84.04500	0.8
84.08130	2.0
85.02909	1.4
85.06526	1.7
86.09690	85.5
87.10006	1.0
91.05850	2.9
93.07067	0.8
95.04982	0.8
97.02921	0.6
97.06491	0.8
98.06053	0.8
98.98442	10.1
100.07603	6.8
104.10721	8.9
104.11345	0.7
105.07014	1.3
107.04961	0.7
107.08548	1.2
109.02898	1.8
109.10140	4.7
110.54955	0.6
112.11275	0.9
113.05981	5.7
122.06010	1.0
122.83083	0.6
123.04462	0.8
123.11661	1.2
124.99980	70.3
127.11182	0.9
133.10240	0.7
137.05933	0.9
142.08627	1.7
142.12244	0.7
143.01025	1.9
147.08044	1.1
150.09155	2.0
151.11148	1.0
153.01865	0.7
170.11732	38.9
173.06035	0.6
184.07315	33.8
184.13197	3.4
190.08655	1.2
193.84247	0.5
208.09665	1.4
219.03001	0.6
222.06325	1.3
250.05829	1.1
251.10484	1.9
257.04346	1.0
258.04843	1.0
260.03253	1.2
261.03699	2.6
262.04199	1.5
268.97806	1.2
272.06360	1.2
273.03821	3.9
274.04205	11.2
278.05301	2.0
282.04959	0.9
285.00812	1.9
285.03970	6.2
286.04230	26.5
286.07407	1.0
287.04565	2.6
296.06284	4.1
298.04340	1.7
299.05154	0.7
300.05817	1.5
306.04834	1.5
308.19849	1.1
310.17755	1.5
314.07132	2.9
324.05786	4.5
325.06860	0.6
334.17859	1.3
352.05261	18.0
352.09375	1.2
352.18982	1.4
352.25906	3.3
353.05737	1.5
355.07074	1.3
370.06415	20.6
370.19940	100.0
370.27063	41.5
371.06757	1.9
371.20154	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01867	16.3
55.05233	3.9
55.05499	68.1
55.94855	2.3
57.03431	23.3
57.07056	10.5
58.97789	2.6
59.04967	2.0
64.28405	2.3
65.03922	3.8
65.47561	2.4
67.05492	100.0
68.05840	2.7
69.03403	8.4
69.07056	91.9
70.06579	4.3
71.04971	5.9
71.08624	16.7
71.70074	3.7
71.70442	2.8
77.69720	2.4
79.05477	58.3
81.03405	12.4
81.07041	85.6
83.04966	14.8
83.06085	4.3
83.08604	36.0
84.04490	19.8
85.02901	5.2
85.06523	9.1
91.05462	46.9
93.07024	61.9
95.04948	21.9
95.08585	53.7
97.02875	2.7
97.06509	37.1
97.10132	26.7
99.08065	18.9
103.05435	3.4
105.07014	33.9
107.04955	11.9
107.08562	37.3
109.02860	3.7
109.06490	9.9
109.10136	44.8
110.03692	2.1
111.04456	3.5
111.08078	13.9
111.11707	6.3
114.09097	2.6
115.38973	2.3
117.06992	9.4
119.04907	7.5
119.08554	29.1
119.89946	2.3
121.02831	7.5
121.06460	2.9
121.10116	40.1
123.04401	10.9
123.08030	13.4
123.11673	9.8
125.09612	21.4
128.06172	3.0
129.06702	4.9
130.04965	20.4
131.04926	2.3
131.08527	12.1
133.06490	3.2
133.10101	21.1
135.08067	4.3
135.11664	20.6
137.05956	22.3
137.09558	11.3
139.03915	4.3
139.11133	13.0
141.09033	2.3
143.08530	3.4
143.10690	2.6
145.10112	11.0
147.04390	9.2
147.07706	9.4
147.11661	25.9
149.05984	3.1
149.09616	4.6
149.13203	13.6
151.03897	3.4
151.07497	3.5
151.11142	14.0
153.05408	3.2
153.09103	5.0
157.10056	4.1
159.11650	8.8
161.05934	3.8
161.13243	11.4
163.03865	10.4
163.11134	3.9
165.12726	11.9
167.07031	8.2
167.14270	3.2
171.11630	5.0
173.11751	17.7
173.13145	4.4
175.03864	10.9
175.07552	5.4
175.11182	3.1
175.14769	4.5
179.14258	5.7
181.04955	12.8
181.12317	3.0
185.13245	5.3
187.07382	3.0
187.14804	5.4
189.05353	3.1
189.11189	17.5
193.12234	3.2
193.15866	2.7
199.07533	8.7
199.14729	4.1
201.09100	6.2
201.16342	4.1
202.07713	3.8
205.06535	3.1
205.15919	3.3
207.06476	21.1
207.13747	2.7
208.08768	2.5
215.07001	3.4
218.07295	3.1
219.08258	3.6
219.10040	12.5
220.08662	4.3
221.06061	4.6
221.09520	2.9
221.15334	4.0
222.06531	2.9
227.12697	3.3
231.08032	5.7
231.20987	5.8
234.06636	5.7
235.07564	3.4
241.19519	3.7
245.08255	2.8
247.07603	3.7
248.08258	6.1
249.09082	7.7
249.22128	10.2
251.05446	6.9
259.20541	10.0
263.06903	4.8
264.07831	3.4
273.03827	11.7
277.08475	11.9
277.21573	50.8
278.09439	3.1
279.06641	2.8
279.09976	6.5
285.03943	6.6
291.09988	4.1
292.22546	3.8
293.07944	4.4
294.08643	3.5
295.09464	4.1
295.22675	13.2
299.05566	3.6
305.07932	3.0
307.09555	6.8
308.10336	2.6
309.11145	8.2
311.12613	4.7
323.05389	3.4
323.09064	2.9
337.10635	32.6
338.11258	7.3
339.12219	9.9
351.04993	16.3
351.12006	3.8
351.25522	4.3
369.06039	13.8
369.13422	32.5
369.18634	5.3
369.26340	59.2
370.06509	2.8
370.13562	6.3
370.26425	2.8
379.78632	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01868	13.8
55.05232	3.1
55.05503	72.9
57.03429	26.4
57.07060	7.4
65.03936	5.0
67.05495	94.3
67.42039	1.5
68.05829	2.2
68.88844	1.6
69.03413	5.6
69.07059	45.8
70.06577	1.9
70.14710	7.9
71.04990	11.1
71.08620	34.7
73.06547	1.8
77.55715	1.5
79.05480	63.4
79.31520	1.5
81.03414	13.5
81.07043	100.0
82.26617	1.5
83.04968	11.0
83.08606	46.9
85.02892	5.3
85.06534	4.9
85.10158	3.4
91.05464	49.3
93.07033	61.1
95.04947	16.3
95.08594	50.8
96.05226	2.1
97.02874	2.4
97.06512	23.0
97.10148	11.2
99.08081	31.7
105.07014	37.1
107.04965	6.0
107.07899	2.9
107.08585	31.6
109.02859	2.4
109.06511	11.5
109.10141	26.9
111.08071	14.7
113.09619	6.3
117.06997	9.2
119.08558	29.2
121.06515	3.6
121.10125	27.7
123.04402	5.4
123.08073	8.6
123.11674	12.6
125.09586	9.9
127.03883	2.2
129.06969	7.5
131.08571	9.7
133.10103	21.2
135.08006	2.4
135.11674	15.8
137.05974	5.7
137.09586	3.7
137.13223	4.4
139.11157	9.3
143.08534	5.8
145.10107	6.7
147.04417	2.1
147.11667	42.2
149.09612	4.5
149.13248	18.9
151.11159	19.9
153.12740	2.1
157.10097	4.7
159.11714	7.5
161.09599	2.2
161.13245	14.2
163.03973	3.9
163.11185	8.7
163.14793	3.4
165.12737	21.7
167.07039	2.3
167.14270	3.4
171.11667	9.2
173.11740	9.1
173.13234	4.5
175.03972	3.1
175.11137	2.8
175.14793	4.3
177.12762	3.4
179.14268	9.2
181.04996	2.1
183.13745	1.8
185.13298	3.4
187.14723	1.6
189.11191	8.0
189.12767	4.3
193.12215	3.0
195.13860	2.6
199.14857	2.0
207.06456	3.6
207.13831	9.1
214.93579	1.6
219.10196	4.2
221.05847	1.9
227.12733	3.6
229.14355	2.7
231.21059	4.4
241.19485	4.8
245.13882	2.1
249.22153	5.2
253.17874	2.7
259.20593	10.4
269.17456	6.4
273.04089	2.5
277.21606	55.7
278.22070	1.6
295.22598	9.1
308.54514	1.8
309.11243	2.6
337.10574	4.4
338.74066	1.7
351.05130	2.7
351.18115	3.2
351.25378	11.2
369.05902	3.2
369.13440	5.6
369.19223	3.2
369.26288	42.1
370.26501	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01860	6.7
55.05505	33.9
57.03428	24.5
57.06792	2.2
57.07067	36.7
58.86945	1.5
63.30391	1.3
64.76383	1.3
65.03947	4.0
67.05494	61.7
69.03413	4.0
69.07059	24.3
71.04977	7.7
71.08617	7.6
71.70246	1.8
72.37437	1.5
74.49683	1.3
79.05488	43.6
81.03408	14.6
81.07043	72.2
83.04960	14.5
83.08607	14.3
85.02903	2.6
85.06522	4.4
85.10168	77.7
91.05466	46.6
92.05785	1.7
93.07034	42.9
94.07352	1.6
95.04955	30.3
95.08594	49.4
97.06511	8.6
97.09580	1.8
97.10126	7.6
98.43111	1.3
99.08074	5.7
105.07020	35.8
107.04930	19.5
107.08579	28.9
107.76402	1.6
108.05236	1.6
109.06496	8.6
109.10139	32.5
110.10482	2.5
111.04395	1.4
111.08070	4.5
113.05995	1.7
113.09628	100.0
114.09989	2.0
115.09733	1.3
117.07020	4.3
119.08578	20.4
121.06466	1.6
121.10132	20.8
123.08061	15.5
123.11684	8.4
125.09606	5.5
128.06161	1.7
129.07001	6.5
131.08527	12.6
133.06467	2.6
133.10107	25.6
135.08049	2.5
135.11700	7.2
137.09610	3.1
137.13179	2.0
141.12813	2.1
143.08539	3.4
145.10080	4.9
147.08031	2.5
147.11676	17.0
149.05966	2.9
149.09598	25.1
149.13234	6.9
151.11165	15.7
153.12743	2.2
155.10695	2.3
155.14357	2.4
157.10101	6.4
157.12172	2.2
159.11674	2.5
161.09572	3.0
161.13274	8.0
163.11160	12.8
165.12730	89.6
166.13103	2.9
167.10645	2.5
167.14354	2.1
169.12221	4.2
171.11667	3.6
175.11174	6.8
175.14781	2.8
179.14243	8.8
181.12198	3.2
183.67734	1.5
185.13223	2.2
187.13251	5.3
193.12051	1.7
193.15877	2.3
197.11676	2.0
207.13750	2.7
231.20988	3.3
241.19508	5.2
249.22122	6.7
259.20612	10.1
277.21582	89.7
278.21964	5.1
295.22653	40.0
309.26224	2.3
351.25308	22.1
363.40311	1.8
369.26404	35.6
369.31055	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	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.0
55.05488	19.1
57.03426	11.2
58.32730	4.7
65.87015	4.6
67.05499	43.7
69.07045	18.3
69.45016	55.7
71.04987	6.2
71.08612	44.9
79.05480	54.6
81.03396	7.8
81.07043	50.8
82.55612	5.1
83.04963	17.7
83.08604	10.3
85.06504	5.8
91.05471	29.3
93.07031	57.7
95.04951	10.6
95.08584	34.8
97.06508	10.2
99.08068	30.2
100.29433	4.5
100.98941	5.2
103.40192	5.4
105.07025	18.0
107.04903	9.3
107.08580	30.9
109.10149	14.6
109.17942	4.5
117.06965	7.8
119.08562	19.3
121.10139	27.6
133.10083	14.8
135.11653	33.6
141.09024	7.9
146.77032	5.2
147.11658	8.3
149.13226	11.2
151.11174	18.1
161.13271	12.0
163.11140	8.2
179.14281	100.0
277.21533	56.0
351.25302	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	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.6
53.32696	2.3
54.89459	1.8
55.01855	6.9
55.05499	22.8
56.58778	2.1
57.03426	19.9
57.07064	33.6
67.05495	47.6
69.07058	17.0
69.44698	7.7
69.45125	13.5
71.04984	2.8
71.08617	5.0
79.05480	34.5
80.45200	2.0
81.03392	8.2
81.07043	52.0
82.07381	2.7
83.04968	10.3
83.08594	9.0
85.06560	2.1
85.10170	77.3
89.55342	1.9
91.05470	34.8
93.07032	28.9
95.04951	20.3
95.08589	39.7
97.06505	11.2
97.10130	4.8
98.20712	4.5
105.07020	21.3
106.06091	2.0
107.04949	13.9
107.08572	15.2
109.06486	8.0
109.10152	16.8
111.08056	3.0
113.09631	100.0
117.07012	3.2
119.08585	15.0
121.10139	15.9
123.08048	23.0
123.11668	5.6
125.09620	2.6
129.06970	5.5
131.08566	15.2
133.10100	15.9
135.11700	5.8
135.51289	2.4
137.09613	3.5
141.12685	4.1
145.10083	7.5
147.11656	18.0
149.09602	25.4
149.13274	2.3
151.11128	7.1
155.10670	3.1
157.10059	3.7
161.09656	2.4
161.13179	5.1
163.11180	11.5
165.12744	76.9
167.14212	3.0
171.11656	3.7
175.11159	5.0
175.14857	2.4
179.14279	7.1
181.12320	3.6
193.15756	4.5
207.13768	3.5
213.75789	2.3
231.20988	3.3
233.51784	2.4
241.19534	4.8
249.22063	2.6
259.20517	7.3
277.21564	47.6
295.22632	10.2
351.25223	19.3
369.26566	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01855	13.4
55.05502	76.2
57.03427	27.7
57.07059	4.5
67.05495	66.5
69.03414	3.6
69.07058	28.3
70.83224	7.1
70.83605	4.0
71.04980	5.4
71.08617	50.8
79.05482	32.2
81.07046	100.0
83.04984	12.0
83.08604	53.4
83.28351	2.6
85.06533	6.8
85.10149	4.5
86.20667	2.6
91.05468	42.8
93.07030	41.9
95.04973	12.9
95.08584	42.7
97.06516	17.5
97.10146	6.7
99.08074	33.6
105.07015	32.7
107.04956	2.8
107.08580	23.4
109.06497	10.3
109.10136	13.6
111.08056	21.7
113.09615	7.8
117.07014	3.2
119.08575	30.9
121.10134	19.8
123.08042	6.2
123.11687	14.4
127.11186	2.7
129.06987	7.9
131.08536	6.2
133.10121	20.8
135.11676	9.3
139.11172	7.0
145.10077	3.9
147.11664	38.8
149.09634	5.6
149.13235	16.7
151.11160	14.2
157.10033	6.2
159.11731	3.7
161.13239	11.0
163.11153	6.1
163.14798	3.7
165.12743	25.0
167.14317	3.4
175.11180	5.0
177.12733	3.6
179.14301	8.0
181.12173	2.8
185.13239	3.3
189.12720	2.9
231.21028	4.3
249.22040	3.4
249.39444	2.7
259.20538	10.1
277.21585	44.8
295.22610	8.5
349.69016	2.3
351.25073	6.5
369.26352	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01858	9.5
55.05504	54.6
57.03426	22.2
57.07057	9.5
57.51294	2.7
65.03921	2.9
67.05140	5.3
67.05494	94.0
69.03397	2.8
69.07058	36.4
70.05877	15.2
71.04972	6.2
71.08624	30.5
79.05479	58.0
79.53952	2.6
81.03417	12.4
81.07042	100.0
83.04974	17.5
83.08612	31.4
85.06515	8.4
91.05467	42.4
93.07029	80.7
95.04946	22.8
95.08583	47.1
97.06530	13.6
97.10159	14.4
99.08085	31.6
105.04521	2.7
105.07012	31.9
107.08582	44.9
109.06493	6.4
109.10139	24.3
111.08064	9.7
113.09592	3.8
117.06985	10.6
119.08552	18.4
121.06490	3.4
121.10124	26.0
123.08051	4.0
123.11680	5.0
125.09599	14.6
129.06982	3.4
131.08517	9.8
133.10110	22.1
135.08003	5.5
135.11673	23.1
137.09589	6.0
137.13249	2.6
143.08554	4.6
145.10074	7.0
147.11600	16.3
149.13219	27.7
151.11153	47.0
157.10069	4.6
159.11691	13.1
161.13231	16.9
163.11131	16.1
163.14857	2.4
165.12729	7.5
171.11670	6.6
173.11726	8.8
173.13193	3.9
175.14821	5.5
177.12738	6.8
179.14265	13.0
185.13153	5.1
189.11221	11.9
189.12717	2.9
195.13774	16.4
201.39934	2.6
221.15262	4.9
227.12813	8.2
241.19470	7.4
245.13831	9.1
249.22237	3.5
253.17958	5.5
259.20590	8.7
269.17426	40.2
274.56973	2.5
277.21588	63.9
278.22211	2.9
295.22687	3.9
326.65875	2.7
351.25250	32.7
369.26288	25.3
370.26233	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	369.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14103	2.0
53.03923	3.1
55.01851	5.5
55.05507	31.2
57.03427	15.2
57.07066	13.1
63.05013	1.8
67.05492	63.4
69.06723	2.8
69.07061	23.2
69.94618	9.1
69.95034	3.9
71.04967	6.8
71.08616	28.1
76.31015	2.0
79.05476	33.8
81.03390	16.0
81.07044	55.8
83.04954	9.9
83.08606	13.6
85.02869	3.9
85.06529	5.9
85.10168	17.3
90.50056	2.4
91.05458	25.8
93.07027	35.9
95.04378	3.4
95.04942	22.7
95.08590	25.4
97.06510	7.3
97.10166	11.5
99.08073	23.6
105.07011	28.1
107.04935	5.5
107.08573	31.3
109.06503	4.8
109.10136	37.6
110.32642	2.2
111.08037	6.8
113.09616	17.8
117.07034	3.4
119.08545	13.9
121.10114	11.6
123.08035	3.9
123.11671	7.0
125.09592	15.7
129.06982	3.7
131.08517	4.1
133.10114	19.3
135.11639	10.7
137.09563	3.5
137.18408	2.5
143.08600	3.4
145.10063	4.4
147.11639	9.7
149.09569	4.6
149.13220	3.4
151.10036	3.5
151.11156	37.8
157.10156	2.3
159.11653	3.2
161.13263	9.4
163.11157	8.9
163.14903	2.4
165.12724	36.2
169.12190	5.1
171.11623	5.9
173.11690	8.3
175.11209	2.4
179.14291	9.9
185.13251	3.3
189.11191	13.9
207.13739	2.3
227.12750	9.1
245.13823	5.7
253.17923	7.4
259.20523	9.3
277.21582	89.1
278.21848	3.7
295.22623	100.0
296.22931	5.5
351.08450	2.4
351.25241	20.6
353.28387	2.2
369.26263	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01851	4.0
55.05502	22.1
56.05847	0.9
57.03422	16.1
57.07064	15.2
65.03928	2.0
67.05493	41.0
69.03413	2.1
69.07054	22.0
69.44314	9.3
70.19775	0.9
71.04978	8.5
71.08606	3.8
75.86829	0.8
79.05480	25.1
81.03403	9.6
81.07042	45.4
83.04966	9.1
83.08612	8.8
85.02902	5.6
85.06520	5.6
85.10166	33.8
91.05465	19.6
93.07024	24.5
95.04954	15.2
95.08588	22.7
97.06551	4.2
97.10155	6.9
98.20661	1.5
99.04408	1.4
99.08089	4.2
105.07016	22.8
105.31670	0.8
107.04945	4.7
107.08577	17.9
109.06493	5.2
109.10142	39.8
111.08054	2.9
111.35719	0.9
113.05976	1.1
113.08826	1.9
113.09624	32.3
117.06981	2.3
119.08562	9.6
121.10128	10.7
123.08060	5.9
123.11661	5.6
125.09590	5.0
127.07566	1.4
129.06956	3.4
131.08539	6.8
133.10114	18.7
135.08069	1.3
135.11687	4.6
137.09587	2.2
137.13264	1.0
141.12715	1.5
143.08566	2.1
143.46281	0.8
145.10103	2.5
147.11703	7.2
149.09586	8.0
149.13243	3.0
151.11162	13.4
153.12770	1.5
155.10680	1.4
157.10115	2.0
161.13219	2.9
163.11212	4.5
165.12726	35.2
167.14246	1.4
169.12207	7.7
171.11693	2.4
173.11728	1.7
175.11198	1.8
175.14801	0.9
179.14256	3.9
181.12207	1.8
189.11162	2.9
189.12784	1.2
189.16440	0.9
195.13893	1.0
207.13783	3.5
231.21114	1.3
241.19432	1.8
249.22095	2.3
258.70331	0.8
259.20502	4.5
277.21573	67.2
278.21884	2.0
295.22632	100.0
296.22906	3.9
351.25153	3.5
369.26318	22.5
370.26416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76258	1.7
53.03931	5.4
55.01861	14.2
55.05502	76.8
56.05821	1.7
57.03206	2.4
57.03429	28.5
57.07058	6.6
64.38147	1.8
65.03922	1.9
67.05495	75.9
68.05810	2.1
69.03398	5.5
69.07056	34.6
70.11168	6.1
70.11594	4.4
71.04974	6.5
71.08253	3.6
71.08621	57.5
79.05482	42.4
81.03397	7.0
81.07041	100.0
81.24489	2.0
83.04955	10.4
83.08605	62.2
85.06519	8.4
85.10157	6.8
91.05466	44.3
93.07029	47.4
95.04947	11.6
95.08588	50.4
97.06508	15.2
97.10152	5.0
99.08077	43.9
105.07008	40.2
107.04961	5.0
107.08565	26.5
109.06484	9.9
109.10139	15.4
111.08059	25.6
113.05943	2.5
113.09648	9.4
117.06998	6.1
118.44726	1.9
119.08565	31.2
121.10119	27.6
123.08025	5.9
123.11678	14.0
125.09631	4.1
127.11128	2.3
129.06978	5.5
131.08540	8.5
133.10109	25.5
135.11638	12.3
137.09595	5.3
138.93669	1.8
139.11147	7.7
141.12698	2.0
143.08540	2.7
145.10081	5.2
147.10559	3.5
147.11664	39.8
149.09593	8.8
149.13228	26.2
151.11150	17.5
153.12703	3.7
157.10103	7.0
159.11684	4.4
161.13232	13.2
163.11136	7.4
163.14806	3.4
165.12738	30.1
167.14288	5.3
171.11676	4.3
175.11122	4.5
175.14798	4.0
179.14270	15.7
189.11159	2.3
189.12708	2.7
193.12204	2.2
193.15765	2.7
195.13705	2.7
222.16701	3.0
231.21111	4.6
241.05710	1.9
241.19504	4.8
249.22032	6.7
253.17804	2.3
259.20514	10.7
277.21579	64.1
295.22653	13.6
351.25208	13.7
369.21857	3.8
369.26297	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01868	11.3
55.05505	46.3
56.05853	2.2
57.03421	14.0
57.07049	8.0
58.96963	2.2
65.03905	2.9
67.05497	100.0
68.05824	2.7
69.03400	5.6
69.07061	41.9
70.88304	3.0
70.88655	4.6
71.04963	7.8
71.08620	44.9
72.07125	1.8
79.05486	63.8
79.54359	2.0
81.03409	21.8
81.07043	92.0
82.07378	3.7
83.04967	14.8
83.08609	26.8
85.02866	2.9
85.06518	7.2
85.10151	4.2
91.05466	46.2
93.07034	63.3
95.04954	34.9
95.08592	46.7
96.08879	3.2
97.06515	14.1
97.10156	24.1
99.08074	39.1
105.07010	40.1
107.04944	7.3
107.08578	51.4
109.06490	7.9
109.10139	41.7
111.08068	8.4
113.09643	5.1
117.07024	11.6
119.08551	31.8
121.06467	5.2
121.10136	20.3
123.08049	6.6
123.11667	9.7
125.09617	24.0
127.11105	2.4
128.06232	2.6
129.06961	9.9
131.08556	17.8
133.10109	26.0
135.08034	9.0
135.11694	22.5
137.09494	5.5
139.07564	3.3
139.11139	6.5
141.12706	3.2
143.08519	13.0
145.06488	3.4
145.10069	16.9
147.07993	4.8
147.11636	23.7
149.09575	6.7
149.13223	14.7
151.11168	55.3
153.09081	3.1
153.12733	2.6
157.10136	10.9
159.11713	8.4
160.04808	2.4
161.09587	7.1
161.13235	21.0
163.11137	14.7
163.14844	3.6
165.12755	18.7
169.12201	4.3
171.10362	2.5
171.11598	10.5
173.11707	15.2
173.13251	9.0
175.03868	3.6
175.11209	5.1
175.14839	5.2
179.14284	12.6
181.10056	2.9
181.12148	2.6
185.13257	9.6
189.11205	22.8
189.12726	5.3
193.15800	2.4
195.13850	2.5
197.13400	2.3
199.14799	3.2
207.13687	3.9
213.12651	3.4
227.12733	17.7
235.16959	2.5
241.19456	7.9
245.13745	10.0
253.18018	8.0
259.20596	14.7
273.03961	2.6
277.21600	98.3
278.21912	5.0
285.03976	3.3
293.19104	2.5
295.22647	22.0
310.79697	2.3
337.10373	2.8
351.25491	35.4
354.41812	2.5
369.06021	5.1
369.24551	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	369.2419
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03920	5.7
55.05505	42.8
57.03425	9.3
57.07061	14.0
59.04977	6.4
67.05488	51.5
68.52061	5.4
69.03400	11.7
69.07053	34.8
71.04959	8.8
71.08604	12.4
71.71399	6.0
79.05481	43.1
81.07044	63.1
83.04972	7.9
83.08604	15.4
85.06535	9.7
85.10183	4.9
91.05461	56.0
93.07031	60.3
95.04965	37.9
95.08591	87.1
95.33069	4.7
97.06509	13.0
99.08057	12.7
100.11224	9.0
103.45294	4.9
105.07016	70.5
105.84476	5.2
107.04979	6.1
107.08582	77.1
109.06499	16.2
109.10139	37.7
111.08070	34.5
113.09727	5.6
117.07000	26.7
119.08559	100.0
121.06445	12.0
121.10120	58.5
123.08020	11.7
123.11685	17.6
128.06206	11.7
129.06978	24.5
131.08537	47.3
133.10103	71.1
135.08029	27.7
135.11685	24.7
137.05948	87.4
137.09598	12.7
142.07755	18.1
143.08556	43.9
144.09308	11.7
145.10101	73.5
147.08041	24.9
147.11685	27.5
148.12016	5.8
149.09590	30.6
149.13222	10.8
151.11172	8.6
155.08519	14.8
156.09283	27.9
157.10088	60.8
158.10825	13.1
159.08012	17.9
159.11681	41.5
161.09630	15.4
161.13260	14.5
163.07530	13.9
163.11073	12.7
165.07024	6.6
165.09064	5.7
165.12747	8.0
167.08533	6.7
168.09326	9.2
169.10115	22.8
170.10835	15.1
171.11652	36.2
172.12460	6.6
173.09483	6.5
173.13281	25.9
175.11145	6.8
175.14799	31.5
177.09062	14.8
179.08524	6.3
181.10088	14.9
182.10835	7.4
183.11662	29.9
185.13254	32.8
187.11168	13.5
187.14827	32.7
189.12622	5.8
191.10620	6.2
191.14328	7.8
195.11700	16.3
197.13188	27.0
199.14836	15.1
200.15248	5.6
201.12750	9.1
201.16304	6.3
205.15862	15.1
207.11700	11.1
209.13264	24.8
211.11168	13.0
211.14777	18.0
212.01361	5.8
213.12738	7.9
213.16338	9.9
215.14226	6.6
221.13292	8.6
223.14737	14.9
225.12762	6.0
225.16284	11.1
229.12173	10.3
233.15401	12.4
235.14870	7.3
237.16327	8.9
239.17923	6.6
243.17578	7.0
249.16391	8.1
257.15228	10.0
265.19373	6.0
271.16840	7.1
276.50717	6.2
277.21545	23.6
278.21707	4.9
280.21643	5.1
285.18405	5.8
295.16867	10.6
295.22638	7.5
333.21533	5.5
351.23141	21.3
369.24039	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	5.1
55.05498	6.5
57.03426	5.9
57.07067	3.3
59.04974	3.3
61.02912	9.3
63.95578	2.8
65.03937	2.9
67.05483	8.7
69.03415	24.8
69.07068	3.5
70.06594	2.4
71.04978	5.4
71.69316	3.5
72.08098	2.6
73.02910	3.1
73.13701	2.4
77.96058	2.6
79.05482	8.4
81.03407	11.3
81.07030	9.4
83.04965	20.2
84.04495	2.8
84.08133	3.8
85.02892	46.6
86.09742	3.3
87.04465	2.9
91.03953	2.9
91.05473	17.1
93.07040	12.3
95.04958	14.6
95.08579	6.5
97.02873	18.7
97.06515	4.6
99.04420	4.6
105.07001	22.3
107.08572	15.3
109.02866	11.0
109.06510	10.0
109.10139	9.0
111.63033	2.7
117.06983	3.9
119.01917	2.7
119.04904	4.1
119.08569	20.1
121.06490	9.0
121.10110	12.1
123.04385	5.2
123.08050	7.4
123.11708	5.8
127.03911	10.9
131.08554	8.2
133.06491	7.1
133.10092	27.4
135.08057	8.7
137.09581	16.6
143.08537	4.9
145.04915	7.0
145.10077	14.2
147.08051	10.1
147.11670	10.6
149.09598	36.0
149.13254	4.6
151.11160	100.0
156.09335	6.8
157.10170	2.9
159.08017	7.8
159.11676	4.7
160.08836	4.2
161.09596	16.3
161.13254	10.2
163.03819	2.4
163.11150	34.1
165.05531	4.0
171.11697	10.6
173.09628	2.8
173.13261	7.2
174.10370	18.2
175.11165	6.7
179.10597	31.5
187.11182	3.7
189.12714	66.7
191.14279	71.8
205.12233	9.6
207.13783	86.8
257.04514	3.2
260.03241	4.5
261.04007	5.2
271.06073	4.0
273.03879	25.2
285.03915	11.9
285.07031	2.8
295.05869	5.5
297.04001	3.4
299.05414	5.7
313.06943	5.0
323.05408	6.1
325.16428	3.4
341.06470	5.4
351.04932	28.4
352.05362	4.1
369.05978	31.5
369.14993	3.4
369.18964	5.9
370.06143	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	369.1329
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03914	1.5
55.01868	2.8
55.05491	1.5
57.03434	1.5
62.20218	1.1
62.58642	1.0
67.05482	3.9
68.99785	1.2
69.03416	2.5
70.06575	3.4
71.69829	1.5
71.70180	1.7
72.78709	1.1
79.05476	2.9
81.03400	3.0
81.07037	4.4
83.11262	1.2
84.08134	1.3
85.02901	1.6
91.05453	8.0
93.07012	3.1
95.04946	2.2
95.08577	1.6
103.05449	1.6
105.07001	4.5
106.30647	1.1
107.04959	3.5
107.08582	2.7
109.02880	2.4
109.10130	1.6
111.04369	1.2
115.05423	1.2
119.01897	1.1
119.04935	4.9
119.08549	2.4
121.06519	1.8
121.10146	1.7
122.05937	1.3
123.04408	3.5
131.04935	4.1
131.08582	1.7
137.05954	6.4
139.03876	27.1
145.06502	2.2
147.04341	3.4
149.06010	1.8
151.03905	3.8
153.05458	1.9
156.13814	4.2
157.06511	1.5
157.14168	2.5
161.05934	3.2
163.03893	6.2
165.05540	1.6
165.06990	2.9
166.36859	1.2
167.07005	3.6
167.08417	1.9
169.06505	1.1
173.06017	1.2
175.03909	3.9
175.07545	3.3
177.05428	1.8
178.07779	2.0
179.03363	2.3
179.08580	2.8
181.04974	2.2
181.06435	2.9
183.06496	1.6
189.06964	2.4
189.09026	1.3
190.07762	1.7
191.08549	3.5
191.10504	1.7
193.06502	1.5
194.07289	4.3
195.04373	1.3
195.08009	3.7
199.07495	4.1
201.09131	2.4
202.07758	5.0
203.08546	4.4
205.06474	4.2
206.07175	2.5
207.06439	6.6
207.08095	3.8
209.09669	1.7
210.06747	1.4
215.10637	1.8
218.07187	4.7
219.08028	7.5
219.10197	3.1
220.08801	1.9
221.05858	4.8
221.09428	1.9
222.06682	4.6
223.07516	4.0
225.09062	1.5
231.08014	5.1
231.10071	1.8
232.08856	3.3
233.05945	3.3
234.06747	3.6
235.07487	6.3
236.08232	2.6
237.09088	5.1
238.06126	2.7
239.06877	1.9
247.07468	7.7
248.08347	7.5
248.10558	1.6
249.09132	6.1
250.06154	4.2
250.09819	1.3
251.06967	4.5
251.10657	2.7
252.07764	1.9
257.04443	1.7
259.07492	1.3
261.05762	1.7
261.09079	3.8
262.03827	1.5
262.06454	2.1
262.09863	1.4
263.07016	6.2
263.10626	2.4
264.07849	2.9
265.08530	14.1
266.05621	1.6
266.09192	3.6
271.07526	2.3
273.03940	8.4
275.06833	2.4
276.07800	3.9
277.05432	1.1
277.08475	6.6
278.09268	2.6
279.06516	3.7
279.10080	4.7
279.14490	1.4
280.07181	1.5
281.11673	1.4
285.03842	3.8
285.07294	1.3
291.10092	14.0
293.08054	7.3
294.08804	6.1
295.06003	3.6
295.09546	2.7
297.03903	2.3
299.05368	2.5
305.08005	2.9
307.09564	5.1
308.10242	1.8
309.11227	13.5
311.09283	2.0
311.12564	2.4
313.07028	6.1
319.09644	6.3
322.08276	4.5
323.05521	2.0
323.09097	4.0
325.10593	1.4
337.10651	100.0
337.26700	5.3
338.11093	10.5
339.12253	4.2
341.13794	1.7
351.05203	5.9
351.12286	6.4
369.06116	12.8
369.13312	36.4
369.17770	2.7
369.29132	1.9
370.06461	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.76516	0.4
53.61069	0.5
55.01768	1.5
56.52039	0.4
56.96481	0.6
57.03350	0.7
61.49696	0.4
63.21294	0.4
67.02104	0.4
67.05402	1.3
67.05734	0.5
67.07561	0.5
69.03334	0.9
69.06959	0.6
70.06464	1.7
71.03042	0.6
71.03391	1.2
79.05370	2.1
81.03313	1.0
81.06957	1.3
82.18682	0.5
83.04883	1.0
83.87347	0.4
84.08041	0.6
84.33578	0.4
85.02801	0.8
85.72350	0.5
91.05344	2.9
93.06959	0.8
95.04838	1.3
95.08523	0.9
97.02790	0.7
97.06481	0.5
98.97449	1.4
103.05388	0.9
105.03275	0.8
105.06890	1.6
107.04814	1.9
107.08479	0.5
109.06384	1.1
109.10056	0.6
113.43777	0.4
115.05336	1.3
116.98529	1.0
117.06900	0.7
118.03938	0.7
119.04861	1.1
119.08507	0.6
121.02849	2.2
121.06363	1.5
122.05881	1.6
123.04288	0.8
125.96809	0.4
128.06125	1.1
129.06903	0.8
131.04921	2.4
133.02707	0.8
133.06421	0.6
135.07867	0.6
137.05942	4.1
139.03746	1.5
143.04765	0.6
145.06316	1.5
147.04260	1.5
149.05785	0.6
150.08981	1.4
151.03766	1.3
151.09424	0.9
152.06052	1.0
153.05365	0.7
155.04739	0.5
157.06375	0.7
158.07089	0.5
159.04295	0.5
159.07892	0.6
159.73338	0.4
161.05830	1.1
161.95918	0.4
163.03786	1.1
165.06960	3.3
166.07689	1.2
167.06929	1.3
167.08366	1.1
169.06378	0.7
175.03749	1.2
175.07381	1.7
177.00539	0.5
177.05391	0.6
177.06871	1.1
178.07735	3.0
179.08392	1.7
181.04784	2.2
181.06354	1.4
182.07133	0.7
183.07930	0.6
185.05829	1.0
187.07376	1.3
187.32236	0.6
189.06876	1.8
190.07623	2.1
191.08568	3.9
192.09155	0.8
193.06371	1.1
193.10008	0.8
194.07219	3.9
195.08041	3.1
197.05846	0.8
199.07462	3.8
201.16238	0.5
202.07762	4.3
203.08537	3.0
205.06480	3.8
205.09851	0.7
206.07074	2.0
207.06467	2.6
207.08113	3.9
208.08693	0.9
209.05876	1.0
209.09517	1.8
210.06671	0.9
211.07417	1.0
215.08551	0.8
217.06439	0.8
218.07201	4.4
219.08057	7.6
219.10001	0.8
220.05164	0.6
220.08771	3.8
221.05983	3.1
221.09550	3.1
222.06712	3.4
223.07468	2.9
224.08272	0.5
230.07161	1.0
231.08049	4.7
232.08705	1.9
233.05945	2.4
233.09549	1.0
234.06671	3.5
235.05371	0.6
235.07533	7.1
236.04539	0.8
236.08194	2.7
237.05472	0.8
237.09094	4.5
238.06122	1.7
238.09781	1.3
239.06885	1.0
245.09613	0.8
246.06746	1.0
247.07475	6.3
248.08311	6.3
249.05371	1.0
249.09085	5.7
250.06184	3.1
250.09537	0.9
251.07027	4.9
251.10448	1.7
252.07796	2.8
253.08485	1.6
255.10030	0.5
258.06647	0.8
259.07425	1.7
260.08215	1.0
261.05551	0.6
261.08994	3.3
262.06149	1.6
262.09674	1.3
263.07095	2.8
263.10483	2.2
264.07800	3.3
265.05762	0.9
265.08551	13.7
266.05594	1.4
266.09213	4.0
267.06519	1.1
267.10010	1.4
270.05014	0.6
273.03909	2.0
273.08737	0.5
274.05939	0.6
275.06912	1.4
276.07797	3.4
277.08496	4.3
278.05594	0.6
278.09247	2.8
279.06427	3.5
279.09619	3.7
280.07101	1.3
280.10730	1.2
281.07999	0.9
281.11597	1.6
282.05765	0.6
282.08701	0.9
283.09659	0.7
285.03790	1.4
287.07083	0.7
289.08481	0.8
290.09265	1.1
291.06775	0.6
291.10101	10.8
292.07254	0.8
292.10553	0.6
293.07990	6.3
294.08780	5.6
295.06216	0.7
295.09540	2.5
297.03796	0.8
303.35947	0.5
305.08051	1.2
307.06403	0.7
307.09628	4.8
308.10364	1.7
309.07632	0.9
309.11157	12.8
310.11581	0.6
311.05539	0.7
311.09042	1.1
311.12729	1.6
313.06854	0.6
317.07727	0.7
319.09625	6.5
321.11121	0.5
322.08261	1.8
323.05548	0.9
323.09058	2.7
324.09647	0.7
325.10736	0.8
336.26483	0.8
337.10645	100.0
337.26614	2.5
338.11252	7.9
339.12064	3.8
341.13898	0.9
351.04919	2.1
351.12006	1.3
369.06223	3.7
369.09756	2.1
369.13345	25.2
369.23071	1.0
370.13663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.061
Annotation	Norbikaverin
Peak:m/z	Relative Intensity
53.00298	0.1
53.03937	0.8
55.01629	0.2
55.01859	1.6
57.03404	0.3
65.03931	0.1
67.01837	0.3
67.05479	0.2
68.99766	0.6
69.03414	0.7
70.06574	0.2
71.01321	0.3
71.69868	0.2
79.01843	0.2
81.03400	7.2
83.01300	0.4
84.08082	0.1
85.02886	3.6
89.54292	0.1
91.05431	0.1
92.99740	0.2
93.03347	0.3
95.04924	0.2
97.02863	1.3
103.05418	0.1
105.03342	0.4
107.01293	1.9
109.02853	8.4
115.05434	1.1
117.03332	0.2
118.60857	0.1
119.04902	0.2
121.02826	0.3
123.04372	0.4
125.02319	0.2
127.05434	0.1
129.03308	0.2
131.04890	0.3
137.02345	1.1
141.06927	0.4
143.04910	0.5
145.02826	0.2
145.06462	0.1
147.04327	0.4
149.02283	0.2
151.03851	0.2
152.06151	0.1
153.01794	4.4
153.03032	0.2
153.07001	0.2
155.04909	0.6
155.08507	0.2
157.02818	0.6
159.04381	0.2
161.05954	0.6
163.03822	0.7
165.01773	0.3
165.06963	3.0
169.02727	0.1
169.06464	0.4
170.02068	0.2
171.04379	2.4
173.05981	0.2
175.03857	0.7
176.04630	0.5
177.01813	0.3
178.02518	0.1
179.04819	0.2
179.96982	0.1
181.06395	0.3
183.02885	0.2
183.04399	0.5
183.08005	0.3
187.03873	3.4
188.04475	0.2
189.05431	0.4
191.03323	0.5
192.04143	0.2
193.04939	0.2
193.06450	4.0
194.06728	0.1
195.04309	0.6
197.05928	1.1
199.03902	1.5
200.04527	0.2
201.01799	0.2
201.05469	0.6
203.03300	1.5
203.04872	0.2
204.04073	0.7
205.04869	0.2
205.06459	1.6
209.06010	0.2
211.03867	5.1
211.07187	0.8
212.04272	0.1
213.05453	0.3
215.03339	2.3
215.06973	0.1
216.04195	0.9
217.04904	1.0
219.02835	3.7
221.05930	12.1
222.06345	0.4
223.02051	0.1
223.04059	0.3
223.07527	0.1
225.05400	2.7
226.05899	0.1
227.03333	1.2
228.04054	0.3
229.04855	1.3
231.02663	0.7
232.03604	1.4
233.05966	0.4
235.03770	0.2
237.03561	0.7
238.06145	0.2
239.03392	1.0
239.06999	2.6
240.07077	0.2
241.04881	0.6
242.05746	0.3
243.02840	2.9
243.06563	0.4
244.03516	0.6
245.04404	4.2
249.05432	6.7
250.06000	0.5
251.03319	0.4
251.06870	0.2
252.04158	0.2
253.04939	2.2
254.05669	0.1
255.02840	1.1
255.06372	0.2
256.03613	0.4
257.04398	7.2
258.04996	0.2
259.02338	0.4
260.03110	16.3
261.03815	15.0
262.04160	0.5
263.01791	1.6
265.04910	0.4
266.05719	0.6
267.02863	1.5
267.06464	4.1
268.06879	0.2
269.04391	2.4
270.05109	0.5
271.02383	0.9
271.05960	5.0
272.06296	0.3
273.03870	76.7
274.04239	2.3
277.04898	12.0
278.05508	0.6
279.06461	2.2
280.03452	0.1
281.04401	4.6
282.04852	0.2
283.02396	0.2
283.05826	0.3
284.03149	1.8
285.03870	12.3
285.07465	3.9
286.04550	1.0
286.07562	0.2
286.98749	0.2
287.01810	3.1
287.05417	1.3
293.04425	0.5
294.05133	1.3
295.05948	21.6
296.06375	0.8
297.03873	8.2
298.04599	3.0
299.01825	2.3
299.05444	8.9
300.02567	0.2
300.05829	0.4
301.03378	2.0
305.04395	8.8
306.04932	1.0
307.05908	0.4
310.04538	0.6
311.05441	1.3
312.02545	0.2
312.06119	0.3
313.06989	15.6
314.07220	0.6
321.03864	0.3
322.04581	0.7
323.05429	25.2
324.05759	1.1
325.03339	2.6
325.06860	0.3
326.03763	0.2
327.04773	1.1
333.03870	3.9
334.04510	0.5
339.04871	1.3
340.05627	0.2
341.06500	5.3
342.07001	0.2
345.02139	0.2
350.04199	1.2
351.04910	100.0
352.05295	3.8
369.05963	98.0
370.06284	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
55.01846	5.1
55.05243	1.6
55.05499	24.7
57.03431	9.2
57.07055	3.1
64.52041	1.6
65.03915	3.4
67.05495	47.1
69.03394	5.4
69.07052	28.7
69.50861	15.1
71.04955	2.9
72.90624	1.5
73.74272	1.6
79.05476	31.5
81.03397	2.2
81.07044	71.3
83.04957	6.8
83.08614	13.1
85.02956	1.5
85.06516	3.7
91.05463	34.0
93.07027	49.9
94.44234	1.7
95.04955	12.8
95.08591	67.9
96.08907	1.7
97.06496	8.4
97.10133	6.3
100.31631	1.6
103.05453	2.1
105.07011	72.6
105.79319	1.8
106.07289	3.1
107.04900	5.1
107.08573	72.9
108.08884	2.4
109.06496	9.4
109.10134	29.8
111.04432	4.5
111.08045	6.6
115.05413	2.5
117.06985	13.1
119.08558	79.7
120.08855	3.2
121.06441	4.1
121.10129	73.7
123.08033	6.0
123.11702	18.4
125.09557	4.1
129.06979	5.4
130.07759	2.9
131.08540	25.6
133.09178	3.3
133.10106	48.5
134.10414	3.6
135.08003	4.0
135.11676	24.8
137.09561	2.3
137.13232	3.6
139.11102	5.3
143.08542	9.1
144.09268	5.5
145.10104	38.3
147.11658	51.7
149.09596	8.2
149.13245	16.8
151.11153	3.0
152.76180	1.7
153.12701	2.2
155.08568	2.4
156.09270	3.0
157.10077	15.2
158.10829	5.7
159.11664	47.8
160.12100	2.4
161.13226	22.3
163.11153	9.1
163.14816	5.9
165.12721	6.1
169.10033	4.2
170.10904	2.5
171.11687	14.4
172.12331	2.7
173.13217	27.6
175.11134	3.9
175.14786	19.7
177.12703	3.4
177.16423	4.2
179.14342	1.9
183.11662	3.1
185.13220	6.5
187.14771	16.2
189.16350	17.2
190.16565	2.2
193.15814	2.3
197.13228	3.3
199.14832	14.4
201.16348	54.2
202.16644	3.6
203.14178	2.0
203.17859	7.5
205.15912	3.6
211.14787	3.6
213.16325	8.3
215.17882	13.1
217.19435	2.3
223.13211	6.7
225.32951	1.7
227.17926	3.9
229.19427	3.5
239.17914	4.7
241.19330	5.0
241.87315	2.0
246.18669	1.8
247.20383	3.8
253.19450	4.4
255.20920	2.5
257.18973	3.9
267.21094	2.5
275.19977	22.6
276.20541	3.1
279.21091	2.2
293.20987	7.9
307.24335	2.6
311.23520	2.0
323.27301	3.0
338.56012	1.9
349.28818	32.3
350.29214	3.3
367.24866	14.7
367.29828	100.0
368.30176	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	367.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01865	3.6
55.05499	24.4
57.03414	8.0
57.07061	7.7
62.94307	2.4
67.05497	31.3
69.03403	6.5
69.07066	35.8
69.27110	2.5
71.08625	28.0
78.75023	2.5
79.05473	25.0
81.07047	68.3
83.04965	3.2
83.08605	12.6
83.33492	2.8
85.06506	3.2
90.18510	2.6
91.05479	23.6
93.07037	27.6
95.04952	16.4
95.08590	41.8
97.06507	9.1
97.10139	4.7
99.08086	27.6
105.07022	28.0
107.04967	3.8
107.08582	22.5
109.06504	35.7
109.10163	19.5
111.08054	6.5
117.07001	5.1
119.08575	26.8
121.06483	10.0
121.10098	12.0
123.08051	7.3
123.11674	9.3
130.03954	2.5
131.08531	12.1
133.06500	2.7
133.10138	16.5
135.08020	9.3
135.11662	9.4
137.13252	3.3
139.11162	4.4
141.09148	3.8
143.08578	3.2
145.10095	12.1
147.11641	9.5
149.09607	7.5
149.13246	7.7
159.11649	8.3
160.31140	3.0
161.13191	7.5
163.11171	9.1
165.12724	62.3
173.13249	4.5
175.14845	4.7
177.12770	6.9
181.12297	2.7
201.16261	3.8
203.14557	3.3
209.19012	16.7
219.17287	4.2
229.36005	2.7
233.18872	3.1
237.18532	4.5
275.20010	9.6
289.25244	23.3
293.21039	4.2
307.26212	9.6
317.24713	100.0
318.25049	3.3
335.25674	30.0
349.27347	73.3
367.24997	8.7
382.71988	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	367.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	2.6
53.03933	7.0
55.01874	4.6
55.05497	26.7
57.03407	5.2
57.07056	10.1
65.03921	7.4
67.05188	3.8
67.05496	46.3
68.89502	2.8
69.03407	11.2
69.07059	30.6
71.04967	8.4
79.05487	45.4
81.07047	65.5
83.04954	7.5
83.08600	7.0
85.06528	5.4
91.05468	67.7
91.06030	4.5
93.07030	98.5
94.92184	2.7
95.04961	49.3
95.08595	68.5
95.66820	3.0
97.06500	13.6
97.10139	4.6
98.21489	4.5
99.01069	2.9
103.05445	4.4
105.07014	100.0
107.04919	5.5
107.08582	67.9
109.06493	15.9
109.10129	47.1
111.08009	5.2
115.05445	10.5
116.06226	3.2
117.07010	26.8
119.08562	99.5
121.06474	10.5
121.10133	53.6
123.08038	4.9
123.11684	14.2
128.06194	12.3
129.06989	26.9
130.07759	9.8
131.08556	59.9
132.09219	4.2
133.06601	3.8
133.10114	72.1
135.08023	18.6
135.11664	20.7
137.09587	6.2
141.06921	9.4
142.07744	24.8
143.08531	49.4
144.09334	14.7
145.10097	79.8
146.07230	6.1
147.08018	15.1
147.11670	21.7
149.09645	20.3
153.06979	5.0
155.08516	14.5
156.09314	11.2
157.10095	54.4
158.10873	8.0
159.08058	6.4
159.11662	36.2
161.09619	48.1
161.13239	11.2
163.11136	11.7
165.06891	4.0
167.08542	6.4
168.09325	11.3
169.10123	26.4
170.10896	9.4
171.11664	34.3
172.12442	5.0
173.09627	5.6
173.13229	24.9
175.11183	12.1
175.14771	21.9
179.08545	10.8
180.09329	3.5
181.10094	10.6
182.10893	8.9
183.11667	22.9
184.12381	6.1
185.13254	18.5
187.14735	15.6
189.12666	5.0
189.16434	4.8
193.10046	4.1
193.38248	3.0
194.10872	8.9
195.11652	13.7
196.12421	9.1
197.13237	18.4
198.13895	3.9
199.14839	15.5
200.15475	3.3
201.12643	4.3
201.16324	6.6
207.11687	6.0
209.13271	30.7
210.13904	5.1
211.14758	12.4
213.12654	6.2
213.16324	10.4
215.14255	4.8
223.14941	5.4
227.14290	23.1
229.21034	3.4
229.57570	3.8
239.17969	8.7
241.19397	4.2
249.16330	5.4
251.17909	5.9
255.17349	6.2
257.18912	6.6
265.19537	5.5
269.18912	7.6
275.20117	4.4
283.20529	5.3
349.25095	9.1
367.26382	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01862	12.9
55.05502	28.3
57.03432	13.4
57.07060	5.2
64.55370	1.3
67.05495	45.7
69.03420	3.8
69.07060	26.4
70.15948	5.9
71.04969	4.0
71.08254	1.9
71.08624	26.6
79.05479	27.7
81.03412	7.6
81.07046	41.9
81.75203	1.3
83.04971	10.5
83.08614	13.0
85.02860	2.6
85.06522	4.5
91.05470	31.9
93.07029	26.4
95.04945	16.6
95.08591	21.6
97.06521	7.3
97.10155	9.0
98.57667	1.3
99.08074	18.8
105.07012	23.1
107.04955	7.1
107.08573	23.4
108.54900	1.4
109.06467	6.4
109.10136	19.1
111.04433	3.6
111.08057	5.0
117.07010	6.4
119.08559	11.4
121.06510	6.5
121.10118	8.7
123.08059	5.7
123.11681	3.7
123.66729	1.3
125.09591	9.5
129.06978	2.7
131.08516	8.1
131.30251	1.6
133.10106	24.7
135.08034	3.8
135.11681	5.8
137.09579	5.5
139.11104	1.7
143.08562	1.5
145.10100	8.2
147.11649	5.8
149.09593	7.0
149.13217	5.6
151.11133	12.7
153.09058	2.3
157.10141	2.0
159.02188	1.3
159.11726	3.9
163.11162	6.6
165.12735	3.9
167.10643	3.4
169.12210	2.5
173.13239	3.8
177.12732	4.2
179.10666	1.7
187.11145	2.1
189.11247	4.2
195.13913	1.9
205.12184	3.0
209.11775	2.0
223.13286	2.7
229.19406	2.3
247.20564	4.0
253.14336	2.4
257.19067	2.5
267.15747	1.6
275.20016	35.1
276.20493	1.7
293.21060	100.0
294.21442	5.8
349.23688	2.6
367.24759	47.1
368.24826	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.2
55.01861	28.5
55.05502	78.7
56.05823	2.7
57.03424	34.1
65.03922	5.1
66.02618	2.6
67.05496	100.0
69.03402	5.5
69.07055	47.4
71.04980	14.1
71.44456	5.7
77.24104	2.6
79.05481	83.4
81.03404	12.6
81.07044	81.5
83.04966	53.7
83.08604	45.9
85.02884	17.8
85.06516	5.6
91.05466	44.2
93.06445	2.7
93.07030	85.3
95.04955	88.8
95.08583	47.5
97.06497	18.3
97.10159	16.2
99.04450	28.9
105.07011	52.2
107.04932	20.8
107.08574	69.8
109.06518	12.3
109.10138	23.1
111.04427	60.8
111.08067	15.7
117.06992	18.1
119.08559	35.6
121.06478	14.7
121.10130	40.3
123.08047	9.8
123.11673	5.4
125.06028	3.4
125.09598	21.3
129.06967	7.7
131.08546	28.4
133.10141	19.8
135.08028	10.3
135.11703	22.8
137.09566	5.1
137.13217	3.8
139.07596	3.2
139.11119	5.7
145.10109	31.3
147.08003	6.6
147.11673	12.5
149.09590	52.6
149.13203	3.5
151.11174	5.4
153.09120	4.9
153.12723	9.1
155.08495	3.6
157.10107	3.9
159.11673	14.3
161.09607	4.3
161.13226	5.4
163.11151	44.6
165.12730	4.3
169.10197	3.3
171.11604	3.8
173.09677	3.4
173.11868	3.2
173.13249	8.5
175.11119	3.0
177.12752	10.3
181.12195	8.1
187.11147	6.4
189.11256	14.9
189.12746	4.9
189.20381	3.0
191.10609	4.8
192.29758	3.4
193.12320	4.4
205.12202	10.6
211.13234	6.5
223.13243	70.1
227.12817	5.0
229.19504	9.7
230.17792	2.7
239.18091	5.4
247.20518	7.9
257.18985	11.1
275.20023	86.2
293.21027	25.2
349.23645	8.4
355.35599	3.1
367.24692	35.9
377.02359	3.4
387.79016	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01864	9.4
55.05510	20.8
57.03429	23.0
57.07068	2.9
65.03926	3.2
67.05497	50.9
69.03438	1.7
69.07056	25.9
69.51665	15.0
71.04971	5.0
71.90434	1.5
79.05483	35.8
80.05817	1.6
81.03434	3.3
81.07045	100.0
83.04967	7.1
83.08609	10.4
85.06537	7.6
88.50054	1.6
91.05466	28.9
93.07033	31.1
95.04953	14.2
95.08591	30.6
95.29477	1.4
97.06517	14.8
97.10152	4.1
99.08094	3.3
103.05441	2.0
105.07005	29.1
107.04953	7.8
107.08583	21.4
109.06509	25.0
109.10134	12.0
111.08070	6.0
113.05979	9.5
117.07008	8.7
119.08569	23.7
121.06520	6.1
121.10126	13.6
123.08051	9.7
123.11675	7.9
125.09646	4.1
129.06952	2.3
131.08565	11.6
133.10115	15.2
135.07973	3.2
135.11630	7.7
137.09599	5.2
143.08539	1.6
145.10149	11.4
147.11676	21.5
149.09607	11.6
149.13263	6.3
151.11130	2.4
155.08449	2.4
157.10095	2.6
159.11720	9.8
161.13260	4.4
163.11151	5.9
163.14809	2.2
165.12747	7.1
168.71359	1.6
171.10211	1.9
171.11667	2.4
173.13293	5.7
175.11208	3.8
175.14888	1.6
177.12767	4.2
179.14401	1.8
183.11710	2.0
185.13225	3.2
187.11182	2.4
189.11273	2.9
195.13890	2.0
197.13351	1.7
219.17455	4.3
229.19406	3.4
239.17700	3.5
247.20575	3.1
251.20070	1.6
257.18924	4.5
275.20056	37.3
293.21030	5.0
349.23703	10.7
367.24774	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86681	1.3
53.03929	4.0
55.01852	10.0
55.05237	1.9
55.05500	28.3
56.15095	1.6
57.03423	15.3
57.07050	1.8
61.42018	1.5
65.03931	4.1
67.05489	100.0
69.03399	6.0
69.07053	28.7
70.60856	4.6
71.04976	3.7
79.05470	43.2
79.25046	1.6
81.03408	3.8
81.07038	67.8
83.04953	5.9
83.08614	11.8
85.06524	5.3
91.05455	29.1
93.07024	35.1
95.04962	10.3
95.08585	44.4
97.06499	8.8
97.10141	12.0
99.08068	3.2
105.07010	27.8
107.04926	7.5
107.08566	24.5
109.06492	8.3
109.10134	27.4
111.08049	3.0
117.06992	6.8
119.08562	24.2
121.06482	2.5
121.10101	14.0
123.08038	6.4
123.11685	6.6
125.09595	11.1
129.06970	2.8
131.08554	12.9
133.10088	16.7
135.08020	6.3
135.11652	7.8
137.09560	7.4
139.11172	3.1
141.06970	1.4
145.10092	11.6
147.11670	18.5
149.09602	11.8
149.13220	4.1
151.11166	2.3
153.12639	1.6
155.10703	2.0
155.24858	1.3
157.10121	3.3
159.11691	6.5
161.09560	2.7
161.13197	4.8
163.03889	2.1
163.11159	6.6
163.62225	1.4
165.09029	1.9
165.12750	4.6
171.11664	3.0
173.11739	8.3
173.13159	3.4
175.11234	2.5
177.12704	2.3
181.84155	1.5
189.11198	6.7
193.12173	3.0
195.13855	1.8
199.60805	1.5
227.12747	2.5
239.18071	1.9
247.20573	3.1
257.18958	6.3
275.19995	42.2
276.20023	2.5
278.92801	2.2
293.21167	4.0
331.22565	1.8
349.23547	9.4
367.24802	25.9
368.25159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.4
55.01862	21.2
55.05504	80.9
56.05834	3.1
57.03437	27.7
57.07066	6.0
65.03922	3.1
67.05495	100.0
68.05817	6.5
69.03407	8.4
69.07055	51.0
69.49718	6.1
69.50115	23.7
70.07372	2.9
71.04974	7.8
71.08619	13.5
72.96975	2.7
79.05481	71.2
80.05816	5.5
81.03397	16.5
81.07040	96.4
82.07360	4.6
83.04969	29.9
83.08608	62.3
85.02898	3.3
85.06498	6.9
85.78400	2.8
91.05456	60.4
92.05787	8.1
93.07027	60.3
94.07337	4.9
95.04401	3.5
95.04960	44.2
95.08588	49.0
96.05280	3.9
97.02823	5.0
97.06532	14.1
97.10146	11.8
99.04443	5.7
99.08059	11.4
105.07005	44.9
106.07327	6.5
107.04939	33.8
107.08571	46.8
108.08897	6.2
109.06493	13.6
109.10130	26.9
109.59808	2.8
111.04436	17.8
111.08030	19.1
117.07001	18.2
119.08556	32.6
121.06516	13.0
121.10134	36.2
122.10474	2.9
123.08066	10.9
123.11680	8.7
125.09630	13.5
129.06967	7.4
131.08556	24.3
133.06467	4.6
133.10112	36.0
134.10373	3.0
135.08028	9.3
135.11676	18.2
137.09592	8.9
139.11153	7.9
142.98479	2.5
143.08501	5.0
145.06433	4.4
145.10112	26.9
147.07999	3.6
147.11641	22.3
149.09607	31.9
149.13251	6.3
151.11130	9.5
155.08514	3.6
157.10127	7.6
159.11656	11.6
161.13205	7.6
163.11169	34.4
165.12691	7.9
169.10033	2.9
171.11559	4.5
173.09584	4.8
173.11867	4.0
173.13261	9.0
174.12067	2.6
175.11111	3.7
177.12704	7.8
181.12151	4.6
183.11584	3.4
185.11684	3.8
189.11195	8.5
191.10695	3.9
195.13652	2.8
205.12241	7.2
223.13220	27.4
225.13744	3.2
229.19417	3.0
247.20490	6.4
257.18973	11.3
275.20013	65.1
276.20184	3.8
292.19781	7.4
293.20837	35.7
308.25864	5.0
349.23663	16.0
367.24521	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	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80163	1.1
53.03918	3.8
55.01870	8.7
55.05272	1.8
55.05502	22.6
57.03425	15.1
57.07046	2.4
65.03930	2.2
67.05491	39.9
69.03395	1.4
69.06688	2.1
69.07053	30.7
69.95209	8.2
71.04966	3.8
71.08603	2.4
71.57889	1.5
77.03933	1.9
79.05478	33.3
81.03415	2.3
81.07040	100.0
82.07367	2.1
83.04977	6.6
83.08601	9.5
85.06515	3.8
91.05462	26.2
93.06435	1.4
93.07030	26.9
95.04939	9.5
95.08586	25.7
97.06523	8.3
97.10168	1.9
99.08056	2.8
105.07009	25.9
107.04936	6.1
107.08572	19.0
109.06499	19.1
109.10139	9.3
111.08053	3.8
115.51905	1.2
117.06998	7.9
119.08537	17.5
121.06504	3.0
121.10114	12.4
123.08035	8.0
123.11694	8.3
125.09611	3.1
129.06969	2.3
131.08553	9.4
133.10106	15.4
135.08035	3.7
135.11676	7.3
137.09622	3.0
143.89407	1.4
145.10103	9.2
147.11655	21.2
149.09575	5.9
149.13245	7.4
151.11166	1.7
157.10078	4.5
159.11638	6.0
161.13200	3.1
163.11131	5.9
163.14833	2.3
165.12715	7.1
169.10052	1.3
169.83862	1.4
171.11673	1.9
173.13188	2.3
175.11159	3.3
175.14929	1.4
177.12701	4.1
179.14253	2.5
191.14244	1.7
193.12196	2.3
195.13747	2.4
198.56628	1.5
201.12794	2.1
207.13916	1.5
230.27678	1.4
247.20531	5.5
257.18878	5.2
275.20010	41.7
276.20383	1.9
293.20959	5.0
349.23575	8.9
367.24786	23.8
368.25186	1.6
370.35840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.0
55.01866	7.0
55.05498	20.5
55.11193	1.0
57.03426	14.3
65.03922	1.3
67.05498	46.4
69.03419	1.5
69.06693	1.6
69.07058	31.2
69.92371	4.3
69.92802	2.9
71.04971	1.9
71.08621	1.1
72.77401	1.2
73.49838	1.2
79.05480	37.1
81.03389	2.5
81.07043	100.0
82.07375	1.6
83.04974	6.3
83.08618	12.1
85.06532	3.3
91.04919	2.2
91.05466	25.3
93.07029	24.3
95.04969	9.7
95.08593	27.4
97.06512	9.6
97.10168	1.8
99.08082	2.7
105.07010	23.8
107.04937	5.5
107.08580	15.9
108.27489	1.1
109.06502	14.6
109.10147	9.5
111.04385	1.3
111.08047	5.4
113.05986	1.4
117.07004	6.3
117.26295	1.1
119.08553	16.4
121.06474	3.9
121.10116	12.1
123.08040	7.3
123.11663	8.1
125.09626	1.5
129.06982	2.6
131.08545	9.0
133.06476	1.7
133.10117	15.5
135.07999	2.9
135.11694	5.4
137.09576	5.1
145.10121	9.2
147.11658	20.4
149.09612	7.3
149.13205	6.7
151.11127	2.1
157.10088	3.9
159.11646	6.8
161.09607	1.8
161.13251	2.4
163.11168	5.2
163.14746	2.0
165.12799	6.1
167.14420	2.0
171.11659	1.7
173.09682	1.2
173.13240	2.2
175.11177	3.1
175.14783	1.2
177.12738	3.6
183.11604	1.5
187.14813	1.4
193.12167	1.7
195.13853	3.1
207.13840	1.7
215.57039	1.1
229.19550	1.6
239.17943	1.4
247.20544	2.9
257.18948	3.0
275.20056	25.4
293.21097	3.7
349.23761	4.5
367.24716	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.6
55.01862	34.1
55.05237	5.8
55.05503	98.3
57.03424	39.3
67.05495	100.0
69.03415	8.4
69.07056	57.5
70.15150	22.9
71.04975	14.3
71.08605	5.7
79.05484	95.2
81.03413	12.8
81.06605	7.9
81.07043	99.1
83.04974	50.5
83.08602	57.9
85.02876	13.6
85.06528	5.1
91.05464	56.9
93.07029	90.0
95.04955	82.1
95.08595	57.4
97.06525	20.7
97.10141	26.0
97.52633	4.1
98.20751	5.3
99.04446	31.3
99.08073	7.9
105.07014	58.0
107.04931	23.6
107.08575	82.4
109.06485	17.6
109.10117	23.9
110.78365	4.0
111.04429	70.2
111.08092	19.8
113.05959	4.0
117.07033	20.8
119.08561	36.7
121.06472	15.0
121.10125	52.6
123.08058	10.8
123.11708	6.7
125.06023	6.2
125.09604	23.1
129.06987	9.8
131.08548	23.6
133.10106	27.8
135.08014	10.6
135.11678	17.9
137.09604	5.8
139.11121	6.4
141.09045	3.9
145.10123	33.9
147.08014	12.4
147.11664	21.2
149.09607	64.3
150.09901	4.0
151.11137	9.8
153.12741	7.1
155.08574	4.3
157.10210	5.8
159.11656	18.7
161.13255	5.3
163.11165	42.4
165.12764	6.6
169.10143	4.2
173.09486	5.8
173.13243	7.7
177.12723	8.6
181.12144	7.9
187.14703	4.0
189.11229	16.5
191.10742	4.2
193.12271	4.4
205.12219	8.8
223.13268	75.8
229.19386	7.5
237.14685	4.3
239.17825	5.5
247.20456	6.4
257.19055	14.6
275.20004	84.9
293.21030	36.7
334.35364	4.7
349.23672	6.0
367.24774	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67308	2.1
53.03929	4.5
53.35722	2.2
53.47714	2.2
55.01865	12.2
55.05506	31.8
57.03432	18.8
57.07043	3.3
58.92762	2.3
66.53914	2.5
67.05496	55.6
69.03415	9.8
69.07054	27.5
69.59551	17.8
71.04984	2.6
71.08616	3.7
79.05481	53.3
81.03407	5.5
81.07047	100.0
83.04966	10.7
83.08608	11.8
85.06519	4.7
91.05469	32.4
93.07027	37.5
95.04957	13.0
95.08595	40.6
97.06490	14.0
97.10150	6.6
99.08066	6.5
105.07019	43.0
107.04920	9.7
107.08578	27.1
109.06506	12.3
109.10144	20.8
111.08040	4.0
117.07021	15.8
119.08565	35.9
121.06547	4.8
121.10127	14.0
123.08047	7.6
123.11674	9.5
125.09579	3.1
129.06883	3.3
131.08539	10.0
133.10101	27.3
135.08022	8.0
135.11658	9.6
137.09555	9.1
143.08566	4.1
145.10112	19.7
147.11670	18.5
149.09621	13.1
149.13251	6.7
151.11124	3.3
155.08525	2.8
157.10107	4.9
159.11647	12.6
161.13185	4.2
163.11124	8.4
165.12729	5.0
171.11716	3.2
173.13229	6.9
177.12726	5.8
183.11691	4.6
195.13751	5.3
197.80817	2.6
201.12700	2.6
229.19589	3.0
239.17973	2.3
240.93593	2.4
247.20482	5.8
252.45534	2.4
257.19040	4.7
269.17477	4.8
275.20007	59.4
293.21063	8.0
349.23828	13.5
367.24963	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01863	7.6
55.05507	17.9
57.03429	10.1
57.07061	1.6
57.99857	1.1
65.03933	3.0
67.05499	48.2
67.83907	1.2
69.07064	27.0
70.36667	4.1
71.04987	3.7
79.05489	33.0
81.03406	3.6
81.07049	100.0
83.04974	6.3
83.08607	11.0
85.06525	3.6
91.05473	27.8
92.25037	1.3
93.07039	30.7
95.04962	11.0
95.08594	25.6
96.08934	1.7
97.06519	10.4
97.10140	1.6
99.08079	2.9
105.07011	27.9
107.04961	7.5
107.08575	15.9
109.06506	17.2
109.10163	10.9
111.08076	3.9
117.07001	6.5
117.56765	1.2
119.08565	17.8
121.06499	4.2
121.10143	12.8
123.08062	6.0
123.11689	5.1
125.09574	2.3
127.07558	2.5
129.06964	2.0
131.08563	10.1
133.10109	11.2
135.08034	3.7
135.11678	5.4
137.09599	3.7
143.08534	2.0
145.06401	1.3
145.10074	9.3
147.11676	19.8
149.09596	8.1
149.13257	5.7
151.11143	3.1
157.10115	2.9
159.11673	6.5
161.13266	2.8
163.11136	7.3
163.14754	2.3
165.12773	8.2
167.14304	1.3
173.13280	2.9
175.11200	2.7
175.14937	1.7
177.12695	1.9
184.90895	1.3
187.11203	1.6
187.14842	2.0
195.13716	2.4
197.13150	1.5
229.19441	3.2
239.17931	1.5
241.17880	1.6
247.20644	6.5
257.18979	4.4
275.20010	38.8
276.20349	2.9
293.21085	4.7
349.23755	10.6
367.24750	20.6
368.24915	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01859	7.4
55.05503	17.7
57.03428	14.6
57.07064	1.5
60.05271	0.6
65.03916	2.6
66.04671	0.7
67.05495	43.3
69.03417	1.6
69.07057	32.7
70.95568	1.8
71.04983	4.0
71.08607	0.9
73.06586	0.6
77.01491	0.6
79.05482	32.9
81.03412	2.5
81.07044	100.0
82.07384	1.4
83.04966	6.0
83.08603	11.0
85.06532	3.0
88.28695	0.6
91.05468	27.8
93.07027	23.7
95.04961	9.6
95.08590	27.4
97.06510	11.6
97.10155	2.4
99.08086	4.3
105.07016	23.4
107.04936	7.1
107.08585	18.2
109.06508	14.6
109.10137	9.2
111.04488	0.9
111.08067	4.4
115.05415	1.2
117.07014	5.1
119.08558	18.1
120.58817	0.7
121.06484	4.3
121.10130	12.3
123.08067	8.3
123.11687	8.1
125.09595	2.0
127.07589	1.2
129.06987	2.7
131.08536	10.3
133.06517	1.0
133.09169	1.4
133.10120	14.8
135.08028	2.5
135.11679	5.7
137.09612	3.5
137.13246	0.9
139.11096	0.7
143.08516	1.7
145.06422	0.9
145.10110	7.8
147.08054	0.9
147.11659	22.8
149.09583	8.1
149.13254	6.4
151.11163	2.3
155.08562	0.7
157.10077	3.7
159.11646	8.9
161.09590	1.6
161.13199	4.2
162.18037	0.6
163.11148	6.6
165.12723	5.9
169.09998	0.8
171.11676	1.6
173.09628	0.6
173.13275	3.3
175.11156	3.5
175.14813	0.9
177.12758	3.5
179.14293	1.3
183.11615	1.0
187.11160	1.9
187.14836	1.0
191.14189	1.0
193.12233	2.0
195.13800	0.9
197.13103	1.0
205.12177	0.6
205.16106	0.7
221.15477	0.8
229.19478	2.3
239.17947	2.3
247.20634	3.8
257.19022	5.0
275.20026	27.4
293.21127	4.8
349.23593	4.3
367.24750	23.9
368.24927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01865	29.5
55.05503	48.4
57.03426	15.7
65.03913	4.9
67.05492	63.3
69.03410	4.2
69.07057	35.3
70.24395	6.9
71.04985	5.1
79.05481	58.1
81.03394	5.2
81.07043	58.9
83.04970	19.9
83.08596	28.6
85.02885	3.9
85.06527	4.7
91.05462	46.0
93.07027	50.6
94.16937	1.9
95.04948	30.7
95.08595	38.9
97.06515	29.1
97.10151	18.9
99.04437	5.0
103.05453	2.6
105.07018	38.3
107.04922	20.3
107.08577	52.6
109.06505	8.2
109.10126	17.9
111.04407	13.2
111.08075	7.0
117.07011	11.8
119.08552	25.3
121.06461	6.3
121.10123	22.6
123.08045	5.9
123.11673	7.6
125.05904	2.3
125.09610	22.1
129.07004	2.3
131.08545	17.3
133.10092	23.6
135.08017	8.7
135.11674	12.2
137.09605	2.7
137.13301	1.9
139.07454	2.2
139.11177	3.1
141.06934	3.2
143.08562	3.4
145.10072	26.3
147.07997	4.3
147.11659	16.7
149.09593	40.7
149.13248	4.1
151.11188	4.0
153.09094	2.4
153.12746	2.6
157.10092	4.8
159.11646	16.5
161.09570	2.4
161.13228	7.0
163.11133	24.6
165.12735	4.9
169.10042	4.7
171.10147	9.8
171.11613	4.7
173.11812	2.7
173.13263	6.4
177.12711	6.9
181.12218	3.7
183.11734	2.7
187.11337	3.3
187.14719	2.2
189.11162	14.5
191.14247	3.1
193.12196	2.3
197.13280	2.7
205.12251	5.6
207.13800	3.2
223.13318	24.3
227.12782	7.5
229.19432	7.7
232.83336	2.0
233.15381	2.1
235.92242	2.3
239.17923	5.5
245.13719	3.0
247.20573	5.1
253.17844	3.0
257.18951	13.5
275.20016	100.0
293.21106	14.0
349.23608	29.8
367.24734	35.2
368.25262	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.0
55.01857	26.7
55.05502	97.8
57.03198	3.4
57.03429	36.4
65.03917	6.4
67.05132	6.4
67.05492	96.0
68.12926	3.5
69.03405	6.7
69.07059	60.5
69.51488	15.8
69.51920	20.2
71.04977	16.0
79.05484	81.6
80.05840	4.3
81.03399	13.4
81.07041	83.1
83.04971	57.2
83.08611	67.0
85.02875	14.3
85.06517	5.2
91.05472	56.2
93.04176	3.8
93.07031	79.8
95.04952	88.0
95.08588	43.5
97.06536	20.1
97.10155	25.1
99.04440	26.9
99.08064	5.4
105.07013	46.7
107.04935	16.3
107.08572	88.9
107.47930	3.1
109.06490	18.4
109.10153	28.3
111.04426	65.6
111.08080	20.2
117.06995	18.5
119.08551	39.0
121.06468	11.1
121.10126	50.3
123.08039	13.3
123.11667	7.9
125.05927	6.8
125.09610	29.3
129.06960	6.3
131.08542	25.3
133.10112	26.2
135.08022	13.0
135.11710	24.2
137.09535	4.3
139.11151	11.8
139.22180	3.9
145.10095	43.8
147.08046	7.6
147.11673	18.0
149.09599	61.3
149.13272	7.2
153.12708	12.6
157.10109	6.6
159.11665	20.4
161.09570	5.5
161.13171	6.5
163.11162	58.6
165.12762	10.5
167.10600	7.3
171.11624	7.4
173.09499	6.2
173.11778	3.7
173.13258	6.3
177.12642	6.2
181.12111	6.5
187.11188	7.4
189.11209	14.1
191.10677	4.8
193.12201	8.1
205.12238	13.8
210.12308	3.5
211.13254	4.9
219.50327	3.5
223.13261	91.0
223.15363	7.1
229.19510	7.2
239.17923	8.4
247.20645	5.0
257.18915	14.0
275.20041	100.0
293.21045	35.9
333.47699	4.3
367.24777	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34872	0.1
70.86018	0.4
82.99420	0.1
82.99859	0.2
94.16158	0.1
101.00847	0.6
119.01897	7.2
120.01965	0.1
122.97875	0.1
134.99825	0.6
137.02946	3.2
140.98804	0.3
142.03429	0.3
153.00888	0.7
153.69746	0.1
158.97073	0.1
158.98674	0.1
158.99802	0.6
165.99702	0.1
171.15770	0.1
175.03044	0.1
177.00925	18.7
178.01057	1.2
179.00766	0.2
182.99864	0.4
193.04039	0.4
195.01999	0.4
199.02861	0.1
200.02531	0.4
201.00883	1.1
202.01003	0.1
209.98801	0.1
217.04051	2.9
218.03928	0.3
219.01971	25.4
220.02101	2.0
221.02205	0.3
225.00829	2.3
225.02907	0.1
234.99971	0.6
236.00012	0.7
236.99802	0.7
237.99876	0.1
242.03519	0.9
243.01904	4.8
244.02171	0.3
253.00963	0.2
254.01167	0.2
255.00948	0.1
258.99994	0.8
260.00031	0.8
260.04648	0.3
261.03015	100.0
262.03146	6.7
263.00192	0.1
263.03033	0.5
263.90192	0.1
264.99091	0.1
265.99026	0.2
266.03531	0.6
275.04520	0.4
277.00937	1.1
278.01151	1.7
279.00885	1.0
280.00824	0.4
281.00613	0.1
282.99857	1.0
284.00055	1.8
284.04614	6.2
284.99744	0.9
285.04724	0.6
285.99942	0.2
292.99728	0.1
301.00992	2.8
302.01096	4.7
303.00861	1.9
304.00961	0.3
307.06201	0.2
319.02145	0.2
320.02362	0.2
324.02634	0.1
325.01791	0.2
326.01364	0.4
342.01605	0.2
342.95276	0.2
343.02124	1.4
344.02222	1.8
345.01822	0.5
360.99506	0.2
361.03403	0.2
362.03265	0.7
363.02493	0.1
364.51019	0.1
367.02271	0.8
385.03110	3.9
386.03259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
54.55813	1.1
55.01863	9.7
55.05503	28.1
57.03434	18.2
57.07058	2.2
59.04981	5.0
61.10607	1.2
63.97443	1.2
65.03919	2.5
65.64161	1.1
67.05493	78.4
68.20531	1.2
69.03412	4.2
69.07054	33.2
71.04980	5.1
71.08620	1.8
71.62475	2.4
79.05026	2.3
79.05480	44.1
81.03394	5.7
81.07041	100.0
82.52258	1.4
83.04969	8.4
83.08605	15.8
85.02860	1.7
85.06505	4.7
91.04922	2.5
91.05464	39.2
92.05791	1.5
93.07026	43.3
95.04945	12.0
95.08588	44.7
97.06506	13.2
97.10155	7.6
98.47081	1.2
99.08080	3.8
103.03921	2.8
103.05479	1.6
105.06334	2.6
105.07015	35.6
107.04958	9.1
107.08575	32.2
109.06502	12.2
109.10137	22.0
111.08056	4.2
117.06989	12.4
119.08562	28.0
121.06493	3.9
121.10124	18.0
122.06002	1.9
123.08038	8.2
123.11702	10.4
125.09626	6.6
129.06979	3.3
131.08534	16.3
133.02826	2.0
133.06490	1.5
133.10104	22.9
135.08047	6.9
135.11678	11.0
137.05949	3.0
137.09586	7.0
139.11157	2.6
143.08554	4.3
145.06456	2.0
145.10088	18.6
147.07956	3.1
147.11665	20.7
149.09604	12.6
149.13210	7.0
151.07578	1.4
151.11165	3.9
152.47386	1.3
155.08623	2.0
157.10114	4.9
159.08058	1.5
159.11685	10.5
161.05920	1.4
161.09622	2.5
161.13240	4.6
163.11160	10.2
165.09088	1.4
165.12714	8.0
169.10098	2.6
171.10210	1.8
171.11659	4.0
173.11736	3.7
173.13255	7.9
175.11157	3.0
177.12741	4.1
183.11658	2.6
187.11159	2.4
189.11139	3.6
189.12668	2.0
191.14281	1.8
193.12215	1.5
195.13757	2.0
197.13200	2.6
201.12502	1.9
229.19464	3.0
239.17909	4.1
247.20561	2.8
257.18884	7.3
275.17136	2.8
275.20010	40.9
276.20407	2.8
279.49667	1.4
283.06039	2.4
293.21063	4.1
349.23682	11.2
367.11658	3.8
367.15463	1.6
367.24774	32.2
368.24872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.7
53.68391	1.7
54.64365	1.7
55.01853	7.9
55.05503	32.7
56.05034	9.6
57.03423	5.6
57.07067	2.1
60.04515	21.8
65.03918	4.3
65.17357	1.6
67.05495	45.0
68.04996	5.2
69.03393	2.4
69.07055	36.1
70.06573	5.9
71.04980	3.8
71.70282	3.3
79.05476	46.3
80.05008	41.2
81.03416	4.6
81.07046	42.9
82.06564	6.2
83.04965	8.8
83.08611	18.8
85.06522	4.0
91.05465	39.0
93.07034	43.6
94.06542	23.4
95.04948	21.4
95.07326	3.7
95.08586	29.6
96.08124	4.6
97.06512	8.5
97.10146	16.8
98.06078	2.3
98.09685	10.4
99.04456	3.3
105.07015	44.0
106.06532	3.2
107.04923	5.8
107.08578	48.1
108.08112	9.9
108.08842	2.3
109.06493	6.0
109.08919	3.1
109.10131	14.9
111.04415	7.9
111.08085	5.2
117.07037	9.0
119.08561	29.2
120.08093	4.6
120.08893	2.0
121.06510	4.2
121.10133	23.7
122.09663	3.8
123.08051	6.4
123.11700	5.7
124.11233	4.2
125.09617	19.6
129.06998	3.7
131.08549	16.9
133.10117	27.2
134.09654	5.5
135.08054	8.7
135.11639	10.0
136.11206	6.9
137.09631	6.3
138.12752	4.1
140.10681	3.5
143.08623	2.2
143.86374	2.1
145.10088	16.7
147.11662	20.8
148.11156	3.3
149.09607	9.5
149.13274	2.4
154.12257	7.2
157.10124	2.7
159.11647	12.2
161.12070	2.5
161.13263	8.2
162.12767	4.9
163.11150	12.4
165.12727	2.3
169.10037	2.1
171.11781	4.1
173.11813	2.9
173.13249	7.8
175.11096	2.3
175.14856	2.4
176.14313	2.3
177.12740	7.0
180.13815	5.6
186.14886	2.4
187.11183	3.0
188.14348	2.0
189.11136	3.5
189.12746	3.9
192.13809	4.4
199.14870	2.1
203.12802	5.6
204.13878	12.5
206.15457	4.3
223.13174	11.7
224.16451	5.3
236.16357	18.7
238.17967	13.0
239.17906	4.5
247.20686	3.4
250.17792	2.9
257.18976	16.8
272.20026	2.1
274.21628	12.2
275.19992	41.1
289.21585	32.9
292.19757	1.9
292.22693	2.8
293.21176	6.9
303.73450	1.7
304.22800	2.9
306.24231	100.0
307.24738	2.8
315.93152	1.7
316.22894	5.4
324.25476	3.4
334.86917	1.8
348.25357	16.6
366.26382	87.1
367.25046	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01865	4.8
55.05506	30.1
56.05009	1.8
57.03428	2.2
57.07046	1.4
59.04990	1.6
59.22738	0.8
60.04508	2.5
65.03912	0.9
67.05495	19.8
68.05000	1.3
69.03410	3.8
69.07055	8.3
70.06604	1.0
71.04971	1.0
71.08598	1.2
71.16103	1.1
71.16449	1.8
79.05484	18.4
80.05006	1.6
81.03407	2.7
81.07050	25.6
82.06577	3.0
83.04977	4.0
83.08601	14.3
84.08142	6.9
85.06544	0.9
86.09678	1.0
91.05465	8.0
93.07027	12.7
94.06541	2.7
95.04955	12.7
95.08590	10.5
96.04469	2.9
97.06503	2.6
97.10157	27.4
99.08048	0.9
105.07033	7.1
106.06567	1.3
107.04945	6.3
107.08583	15.1
108.08112	1.0
109.06500	3.9
109.10155	5.0
110.06042	3.3
111.04466	1.2
111.08076	3.0
112.11166	1.0
113.09617	1.1
113.37788	1.1
115.05453	1.0
117.06987	2.5
119.08538	5.3
120.08141	1.5
121.06483	3.3
121.10128	3.7
123.08029	2.4
123.11704	1.8
124.11221	1.8
125.09612	19.9
126.12766	1.4
129.07025	0.9
131.08557	4.6
133.10144	3.9
135.08025	5.9
135.11667	3.3
138.12769	2.8
140.14320	26.0
141.07014	1.1
143.08418	0.9
145.10092	4.3
147.08018	1.1
147.11691	2.9
149.09601	4.3
150.12758	1.0
153.09087	1.4
153.12698	1.3
154.12256	9.7
157.10005	1.0
159.11671	3.0
163.11156	7.4
163.13588	0.9
164.14351	1.2
165.12737	3.3
166.12262	1.8
169.10262	1.0
171.11659	1.0
173.09569	1.0
173.13266	1.9
175.11148	0.9
175.39993	0.8
176.14314	1.7
177.12694	4.9
180.13875	2.2
181.12317	1.1
182.15393	5.4
183.11708	1.4
187.11171	1.4
193.12166	1.4
200.14423	1.2
203.12683	3.9
205.12186	2.0
208.13371	3.0
218.15569	1.0
221.79721	1.0
223.13194	1.0
229.19629	1.1
235.03595	0.8
236.16539	2.0
237.14871	1.9
240.16052	1.0
246.22145	2.6
247.20618	1.3
257.19061	2.8
264.22983	1.1
274.21591	6.4
275.20013	15.0
275.22668	1.4
282.88663	0.8
292.19681	1.7
292.22662	12.4
293.21109	3.8
306.24207	16.1
307.22589	32.6
308.22910	2.4
312.77036	0.9
324.25266	22.3
334.23706	7.2
348.25351	1.0
366.26370	100.0
367.26950	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	366.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35070	0.6
55.05482	0.9
60.04518	18.8
66.93729	0.6
67.05464	1.2
70.02935	1.4
70.06580	3.5
70.34452	2.7
72.04485	1.4
72.08128	1.3
79.05484	1.2
81.07024	1.2
84.04498	0.7
84.08105	2.0
86.09692	73.9
87.05576	17.7
87.09971	0.8
91.05434	2.0
92.04964	1.1
93.07015	1.7
95.08570	1.1
102.97696	0.7
103.05444	2.0
105.07011	0.7
107.04913	0.9
110.07109	0.8
112.11230	1.1
117.05730	0.7
118.06539	6.9
120.08089	33.5
128.10710	8.5
130.06429	0.9
132.08069	1.7
136.06123	2.1
144.07993	2.0
154.70009	0.7
159.09192	0.9
161.13235	0.7
162.09123	7.6
163.09930	1.2
165.01768	0.8
166.07298	1.1
166.08607	12.6
173.12833	100.0
174.13185	2.3
175.03954	1.2
176.10654	0.9
201.12309	23.5
202.15880	2.0
207.11261	7.5
219.13353	1.1
230.15344	11.5
235.10788	1.6
248.16386	1.1
263.49738	0.7
277.05179	1.9
279.16953	1.9
283.05975	3.6
292.15628	1.6
292.19019	21.3
296.06793	3.6
306.14090	0.9
311.08926	2.0
324.06241	2.5
339.08466	3.6
366.22720	46.1
367.08044	5.8
367.15796	1.3
367.23114	3.3
373.59027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	5.8
55.05503	31.8
56.05020	3.4
57.07050	3.6
57.96427	0.9
59.05003	1.0
60.04504	3.3
60.09956	0.8
61.41804	0.8
65.03912	1.0
67.05141	1.3
67.05492	19.2
68.05813	1.0
69.03406	2.3
69.07059	8.8
70.43898	3.1
71.04972	1.6
71.08633	2.3
79.05484	16.2
80.05011	2.9
81.03407	2.5
81.07046	23.6
82.06569	2.7
83.04974	4.5
83.08607	13.9
84.08128	3.9
85.06541	0.9
85.10160	1.6
86.09668	1.4
89.06017	3.0
91.05475	6.4
93.07037	11.4
94.06544	4.5
95.04958	14.8
95.08606	8.9
96.04480	4.9
97.06506	1.3
97.09577	1.6
97.10159	22.4
105.07018	7.8
106.06555	3.1
107.04945	6.8
107.07065	0.9
107.08584	13.3
108.08108	1.0
109.06519	3.2
109.10146	3.8
110.06017	4.7
111.08069	3.7
112.11179	1.0
113.09600	1.0
117.06967	3.2
119.08578	5.1
120.08068	1.5
121.06493	3.0
121.10104	4.1
123.08077	3.0
123.11676	2.8
124.11214	2.1
125.09610	17.2
129.07013	1.0
131.08548	3.9
133.10106	3.1
134.09605	1.7
135.08037	3.9
135.11665	3.6
137.09616	1.6
138.12753	2.5
140.14323	23.2
145.10107	4.4
147.08037	2.6
147.11676	1.6
149.09593	4.6
149.13264	0.9
151.11244	1.5
153.09077	1.7
153.12694	1.9
154.12241	11.9
155.10620	1.1
159.11650	3.4
162.12674	1.2
163.11176	9.3
163.13576	1.2
164.14345	1.9
165.12727	3.5
166.12242	1.9
168.13704	0.9
173.09650	0.9
173.13112	0.9
176.14319	2.7
177.12744	2.4
180.13805	3.9
181.12196	2.3
182.15395	6.9
187.11182	1.2
193.12231	1.2
203.12788	3.7
204.13803	1.3
205.12234	1.9
208.13353	4.2
236.16447	3.1
237.14815	3.9
240.15904	2.9
247.20517	1.0
257.18915	1.6
264.23248	4.5
274.21579	9.4
275.20041	13.2
292.22693	18.6
293.20944	2.0
306.24203	17.8
307.22604	42.7
308.22931	2.9
324.25308	20.3
325.25693	2.1
334.23724	8.6
344.44788	1.0
348.25662	1.1
366.26352	100.0
367.26956	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	365.2681
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01882	0.3
55.05494	1.0
55.39751	0.2
57.03421	0.6
57.07064	2.3
59.61786	0.2
67.05510	1.6
69.07064	1.3
69.66325	1.8
78.03741	0.2
79.05463	1.2
81.06651	0.3
81.07047	2.3
83.04947	0.5
83.08607	0.5
85.06527	0.8
91.05462	1.1
93.07043	1.6
95.04935	0.8
95.08623	1.5
97.06490	0.4
97.10137	0.3
99.08099	0.4
105.07017	1.5
106.94451	0.2
107.08603	1.3
108.20650	0.2
109.06503	1.6
109.10145	0.8
111.08053	0.4
112.99995	0.7
117.07016	0.4
119.08562	1.3
121.06554	0.3
121.10094	0.5
123.08062	3.5
123.11680	0.3
124.08855	1.5
125.05972	0.3
125.09674	0.3
131.08521	0.5
133.10112	0.9
135.08006	0.8
135.11641	0.3
137.05969	0.4
137.09579	0.5
143.08528	0.4
145.10114	0.8
147.08022	0.5
147.11647	0.4
151.07516	4.0
152.08318	7.2
157.10110	0.7
159.11723	0.5
161.09607	0.4
163.11154	0.3
165.09100	9.0
165.12744	0.4
166.09831	0.7
171.11594	0.3
175.11124	0.5
177.12677	0.4
179.10643	2.7
181.12285	0.5
183.11597	0.4
185.13225	0.4
193.12276	0.3
194.13020	4.5
195.11719	0.4
195.13687	0.3
207.13730	1.8
213.12880	0.2
221.15381	0.4
223.14922	0.3
235.16917	0.7
249.18471	0.7
263.20129	2.0
273.18481	0.7
277.21628	0.9
291.19519	1.0
319.26202	1.4
347.25790	17.2
348.26266	0.8
365.26846	100.0
366.27197	5.6
378.28345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.268
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.15216	0.4
55.01841	1.1
55.05495	2.6
57.03410	1.0
57.07044	1.5
65.31411	0.3
67.05487	3.1
69.03404	0.4
69.07063	5.0
70.98495	0.7
70.98851	0.8
71.04990	0.6
71.08618	0.8
74.70462	0.5
79.05490	2.4
81.07040	4.6
83.04987	0.9
83.08611	1.2
84.39020	0.4
85.06516	1.1
91.05473	1.9
93.07015	2.9
93.57784	0.3
95.04930	1.3
95.08589	2.8
97.06508	1.2
97.10138	0.9
105.07000	1.6
107.04932	0.5
107.08583	3.4
109.06493	2.5
109.10110	1.5
111.04421	1.4
111.08073	0.7
113.00014	0.8
116.49219	0.4
119.08546	1.1
121.06478	0.6
121.10107	1.1
123.08046	6.6
124.08823	0.8
125.05948	1.3
125.09592	0.4
129.68019	0.4
131.08568	0.8
133.10098	1.0
135.08015	1.8
135.11676	1.3
137.05933	1.0
137.09567	0.7
139.07475	0.8
143.08548	0.5
144.50783	0.3
145.10136	0.8
147.11656	0.8
149.09509	0.5
151.07518	4.5
152.08333	3.4
153.92009	0.4
157.09923	0.4
159.11734	0.5
161.13155	0.5
163.11255	0.8
164.08305	0.7
165.09087	16.0
165.12753	0.9
166.09831	1.4
175.11154	0.8
177.09027	0.7
177.12694	0.5
179.10649	2.7
181.12215	0.5
191.10712	0.6
193.12222	1.7
195.13747	0.7
207.13806	0.4
208.14583	1.8
219.13702	0.6
221.15334	3.2
223.13271	0.7
235.16898	0.4
249.18484	1.4
263.20123	0.9
273.18497	1.2
291.19473	3.9
305.24637	4.6
319.26236	4.9
347.25751	51.3
348.26193	2.5
365.26828	100.0
366.27084	5.0
368.82166	0.4
382.41089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
53.75896	2.0
55.01854	5.3
55.05501	27.2
57.03436	11.1
57.03666	2.0
64.00875	2.1
67.05496	31.2
69.03426	13.5
69.07059	53.2
69.45660	14.2
69.46077	5.0
71.04979	2.8
79.05474	19.6
81.03407	4.6
81.07039	22.1
83.04955	5.8
83.08603	7.7
85.06542	1.9
91.05469	11.9
93.07030	17.0
95.04959	11.0
95.08603	10.3
97.02883	14.5
97.06538	4.8
97.10145	11.7
105.07005	8.8
107.04933	4.8
107.08559	16.5
107.40434	1.7
107.67593	1.8
109.06501	7.1
109.10126	11.6
111.08125	2.1
113.00011	7.3
113.05990	4.8
117.07002	5.5
119.08554	8.8
121.06429	2.0
121.10136	6.6
123.08024	2.9
125.09620	11.6
129.06953	2.9
131.08565	7.3
133.06458	2.9
133.10110	4.7
134.90913	1.9
135.08041	5.3
143.08574	2.6
145.10098	2.7
147.08018	4.1
147.11659	2.9
149.13246	3.0
149.53465	2.0
157.10147	3.2
159.11743	3.7
161.09683	2.4
163.11171	2.3
165.09111	3.3
175.11107	2.3
177.12747	3.7
189.11221	5.9
217.15877	2.4
223.13245	27.6
245.18961	2.9
273.18472	11.6
291.19507	100.0
292.19855	2.7
365.23221	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
53.42123	0.8
54.96182	0.9
55.01859	7.8
55.05500	7.1
57.03427	52.4
57.07051	2.2
65.03916	3.8
67.05493	48.0
69.03406	1.0
69.07043	4.5
70.33300	2.3
71.04991	6.8
77.60609	0.8
79.05481	22.4
81.03391	2.0
81.07040	19.0
83.04950	2.7
83.08591	2.8
85.06531	37.3
91.04929	1.3
91.05466	20.6
93.07029	21.6
95.04955	56.7
95.08595	12.1
97.06538	4.3
97.10168	1.9
99.08054	0.9
103.05459	1.4
105.07006	16.3
107.04935	9.4
107.08576	13.2
109.06505	53.5
109.10139	3.6
111.08064	1.7
113.05988	100.0
115.05451	1.2
117.06986	8.9
119.08562	11.6
121.06468	3.7
121.10143	4.8
123.08044	4.0
128.06155	1.1
129.06953	4.7
131.08548	14.0
133.06487	2.5
133.10126	6.4
135.08032	38.7
135.11653	7.0
137.05954	1.0
142.07820	1.2
143.08571	5.6
145.10103	9.3
147.08035	4.6
147.11685	4.0
149.09621	5.8
149.13229	2.0
155.08511	1.0
157.08936	1.3
157.10060	6.0
159.08002	2.4
159.11673	5.4
161.09618	7.2
161.13165	1.5
163.11127	2.6
165.09081	1.0
169.10156	1.2
171.11658	2.7
173.09624	0.9
173.13266	2.5
175.11209	2.2
177.12688	2.3
181.10216	1.0
183.11659	1.7
185.13205	1.2
187.11087	1.2
189.16292	1.8
195.11789	1.2
195.13763	1.4
199.14812	4.1
201.12692	2.1
217.15868	14.4
219.13730	1.4
227.17934	1.6
233.15288	1.4
245.19025	3.8
255.17303	2.4
273.15704	1.5
273.18472	23.8
291.19492	28.5
347.22226	2.5
365.23172	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01859	8.0
55.05507	7.3
57.03426	52.7
57.07045	2.0
65.03911	3.8
67.05492	49.1
69.03406	2.1
69.07059	5.7
69.48724	7.9
70.06570	2.2
71.04993	4.5
71.55344	0.8
72.21527	0.7
79.05023	1.1
79.05479	21.7
81.03394	2.5
81.07043	23.0
83.04941	2.8
83.08599	3.7
83.39336	0.7
84.08081	1.1
85.02878	0.8
85.06532	40.6
91.05459	18.9
91.06030	1.0
91.20172	0.7
93.07024	19.1
95.04951	54.6
95.08595	12.4
97.06494	3.3
97.10147	0.9
99.07964	0.9
101.52213	0.8
104.54004	0.8
105.07005	14.3
107.04929	9.2
107.08574	11.9
109.06500	51.1
109.10133	4.3
110.06860	1.3
111.08044	2.1
113.05985	100.0
114.06309	0.9
115.05427	1.9
117.06996	9.6
119.08550	10.4
121.06488	4.0
121.10102	5.9
123.08033	3.1
125.09580	1.2
128.06166	1.3
129.06989	5.7
131.08539	14.6
133.06456	2.2
133.10081	7.8
135.08032	35.3
135.11662	6.6
141.06923	1.5
142.07809	1.0
143.08539	6.4
145.06519	1.1
145.10107	9.1
147.08018	3.9
147.11638	2.7
149.09618	7.4
149.13240	1.6
155.08484	1.7
156.49658	0.9
157.10127	5.8
159.07961	2.6
159.11702	5.9
161.09589	7.9
161.13248	1.8
163.11165	4.0
165.09032	1.7
169.10054	1.1
171.11670	3.9
173.07780	0.9
173.09554	1.0
173.13223	2.4
175.11183	2.8
177.12730	2.0
183.11720	1.5
184.21742	0.9
185.09537	0.8
185.13167	2.0
187.14732	1.0
191.10645	1.0
193.04852	1.5
195.11655	1.4
195.13745	1.7
197.13191	1.1
199.11119	0.9
199.14754	3.9
201.12708	2.2
203.11034	1.9
209.12967	1.2
217.15848	14.0
219.13795	2.2
227.17856	2.3
233.15350	2.8
235.16832	1.0
237.16290	1.2
245.18910	2.4
255.17416	2.8
270.44397	0.9
273.18439	25.9
274.18826	1.3
291.19492	32.1
307.18683	0.8
347.22122	2.3
364.17514	0.9
365.23203	12.5
366.22803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85801	1.5
52.87550	1.8
53.03932	9.4
53.79156	1.7
54.70337	1.5
55.01867	20.1
55.05503	33.6
55.11915	2.0
57.03426	26.8
57.07055	3.6
59.04987	5.9
60.06072	1.7
65.03920	6.5
67.05490	96.8
68.99772	1.8
69.03406	8.8
69.07057	27.6
70.01866	4.5
70.02280	6.2
71.04964	9.3
79.05480	74.0
81.03397	11.2
81.07040	100.0
83.01331	3.4
83.04971	21.5
83.08617	13.8
85.06524	6.2
89.71983	2.0
91.05463	96.1
93.07026	67.3
95.01303	2.1
95.04941	24.5
95.08596	34.3
97.02858	4.3
97.06520	11.5
97.10131	4.3
98.20730	3.5
99.08054	2.0
105.07008	70.5
107.04940	22.5
107.08575	51.0
109.06488	15.3
109.10143	48.7
111.04438	4.5
111.08070	9.6
113.06001	3.0
115.05459	3.2
117.06989	19.9
119.08575	23.5
121.06506	13.0
121.10125	17.2
123.04433	3.0
123.08044	10.3
123.11697	11.0
125.09634	4.0
127.07511	2.2
128.06181	3.8
129.06981	8.7
131.08539	28.3
133.06471	17.8
133.10100	81.9
135.08043	22.8
135.11664	12.6
137.05962	3.7
137.09602	6.3
139.07512	6.4
141.07059	2.9
143.08527	10.9
145.06548	2.7
145.10089	12.5
147.07999	8.9
147.11667	8.4
149.09593	23.5
149.13252	5.5
151.11145	45.8
155.08537	2.3
157.10114	6.5
159.08014	6.4
159.11613	9.4
161.09618	14.5
161.13240	5.5
163.11163	8.2
165.09064	3.5
169.10120	2.4
169.12225	4.5
171.11684	6.0
175.11150	9.2
177.09085	14.2
177.12779	2.4
179.10585	3.7
179.14314	2.6
185.09613	2.0
185.13234	3.1
189.12743	2.8
191.10698	2.3
197.11790	1.8
199.11243	1.9
207.13832	2.3
215.12718	3.2
217.12236	2.6
223.13326	4.4
227.18134	2.8
235.13164	1.9
237.16479	2.0
245.18985	12.5
249.14732	2.4
251.12755	4.0
253.14322	27.6
255.17467	5.7
263.19989	8.4
269.13849	5.5
273.18475	40.7
273.21350	2.2
291.19522	32.0
309.20557	3.1
347.22113	5.9
351.19681	2.0
365.23148	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80899	0.9
53.03926	3.9
55.01865	8.5
55.05501	33.9
57.03160	1.3
57.03423	16.9
59.04983	1.0
61.25855	0.8
65.03918	1.0
67.05492	36.8
69.03419	10.7
69.07056	55.8
70.03304	4.8
70.06572	1.0
70.07415	1.3
71.04594	0.8
71.04964	2.8
71.46524	0.9
79.05014	1.7
79.05479	33.5
80.29345	0.8
80.52011	1.0
81.03416	7.4
81.07043	30.6
83.04953	7.9
83.08594	10.8
85.02868	1.5
85.06500	2.0
91.05466	19.0
93.03379	1.2
93.06427	1.3
93.07021	23.3
95.01295	1.6
95.04951	11.0
95.08595	13.4
97.02884	10.5
97.06506	6.5
97.10149	16.4
98.47009	0.8
99.08062	1.6
103.05386	1.5
105.07006	17.8
107.04948	10.8
107.08574	18.5
109.06509	6.1
109.10140	14.0
111.04408	2.5
111.08035	2.4
115.05430	1.7
117.07006	8.5
119.04900	1.1
119.08558	13.9
121.06485	3.9
121.10126	6.3
123.08034	7.4
123.11681	1.2
125.05978	1.2
125.09606	14.4
127.07553	1.0
129.06972	3.6
131.08560	8.5
133.06491	2.8
133.10103	8.7
135.08034	6.7
135.11688	4.3
137.09579	3.5
139.07468	0.8
143.08527	2.9
145.10083	7.2
147.08023	6.6
147.11664	4.3
149.09605	4.4
149.13226	4.1
151.11142	3.7
153.09074	1.6
157.10121	3.6
159.08026	1.6
159.11661	4.3
161.09586	3.4
163.11160	2.9
165.09077	3.8
169.12202	1.4
171.10176	1.7
171.11623	1.9
173.11778	1.0
173.13205	1.5
175.11217	2.5
175.14864	1.0
177.09125	1.8
177.12756	1.9
179.10649	1.6
183.11693	1.2
185.13200	1.1
187.11160	1.3
189.11182	9.6
189.12698	1.6
192.14182	0.9
193.12218	1.9
195.13699	2.5
201.12613	1.3
205.12286	1.7
219.13811	1.0
221.11707	1.0
223.13258	22.9
227.12737	1.4
227.17950	1.7
237.16542	1.1
245.18930	3.1
249.14934	1.2
255.17529	2.0
263.20032	2.1
273.18417	20.0
291.19485	100.0
292.19821	4.8
347.22083	2.0
365.23166	38.9
366.23499	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	365.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.46284	1.1
55.01669	1.0
55.01863	10.5
55.05500	36.5
57.03419	9.6
59.04972	1.4
59.35512	1.4
59.86094	1.2
65.03937	1.6
67.05497	42.5
69.03418	16.4
69.06693	2.6
69.07056	47.1
71.04962	2.6
71.16167	2.4
71.16505	2.6
79.05479	36.5
79.49225	1.4
81.03406	7.1
81.07045	28.1
83.04958	4.4
83.08601	11.0
85.06518	1.4
91.05472	21.4
93.07035	21.9
95.04950	11.3
95.08577	12.4
97.02871	17.8
97.06498	6.6
97.10146	15.5
105.07014	13.7
107.04922	9.2
107.08569	13.9
109.06487	4.1
109.10131	11.5
111.08078	1.9
113.05998	1.7
115.05424	1.7
117.06977	9.3
119.04941	1.7
119.08550	14.9
121.06465	3.7
121.10093	4.4
123.08049	3.2
123.11666	1.8
125.09607	12.4
128.06212	1.7
128.21390	1.4
129.07008	4.3
131.08546	7.8
133.06462	3.3
133.10114	6.1
135.08023	5.2
135.11661	4.6
137.09619	3.6
143.08514	3.1
145.10103	7.1
147.07997	5.9
147.11658	2.9
149.09613	2.5
149.13332	1.8
153.09102	2.3
157.10062	2.8
159.11691	5.5
161.09625	3.3
163.11177	2.8
165.09108	2.6
171.11717	1.9
175.11090	1.8
175.23280	1.4
177.12643	1.7
185.13211	1.9
189.11162	7.4
189.12642	1.4
205.12216	3.4
223.13251	28.9
227.12659	2.2
231.21510	1.2
245.13539	1.5
245.19073	2.3
255.17378	1.4
273.18448	20.7
291.19495	100.0
292.19830	3.3
347.22269	2.5
365.23141	73.9
366.23526	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02326	0.5
53.03907	1.7
55.01867	6.4
55.05504	25.9
57.03432	8.9
57.07021	0.6
59.04964	0.9
63.51590	0.6
67.05495	26.4
68.26554	0.5
69.03415	11.6
69.07056	38.1
69.71258	4.2
71.04950	1.6
71.91120	0.6
79.05480	24.1
81.03407	5.5
81.07044	20.9
83.04971	3.4
83.08605	8.7
85.06504	0.8
91.04933	0.9
91.05461	13.0
93.07029	18.4
94.04187	0.7
95.04964	7.4
95.08590	11.8
97.02880	16.1
97.06494	3.1
97.10155	14.5
98.20708	1.3
105.07005	10.2
107.04932	7.3
107.08581	14.5
109.06509	3.4
109.10138	10.3
111.04393	0.7
111.08085	2.8
112.74556	0.6
115.05391	1.0
117.06998	6.6
119.04906	1.0
119.07871	0.8
119.08565	9.5
121.06452	2.6
121.10130	5.3
121.43420	0.5
123.08062	3.9
125.09608	13.2
129.06949	2.2
130.07735	0.7
131.07603	1.0
131.08516	6.3
131.49554	0.6
133.06461	1.9
133.10081	4.6
135.08041	4.8
135.11707	2.9
137.09567	2.5
143.08524	2.6
145.10088	5.0
147.08031	4.5
147.11665	2.3
149.09554	1.6
149.13206	2.0
151.11243	0.6
153.09044	1.0
157.06496	0.9
157.10074	1.8
159.11659	3.0
161.09584	2.8
161.13123	0.8
163.11127	2.0
165.09081	2.1
169.10152	0.7
171.10158	1.4
171.11555	0.9
173.11652	1.5
175.11211	2.8
177.12730	1.9
179.10535	0.7
181.55382	0.6
185.13158	0.9
189.11226	7.3
193.12234	0.6
195.13766	2.5
202.56593	0.6
205.12192	2.1
223.13260	29.8
227.12790	1.2
237.16434	0.7
245.18866	2.3
249.14937	0.8
255.17358	1.1
263.19913	1.5
273.18451	14.8
283.47339	0.6
284.89017	0.6
291.19498	100.0
291.86755	0.6
292.19888	3.5
294.19672	0.5
339.97766	0.6
347.22070	0.9
365.23181	36.2
366.23621	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01868	10.7
55.05236	1.5
55.05504	28.2
57.03430	50.9
57.07061	1.8
59.94746	1.0
65.03931	2.4
67.05496	60.8
69.03430	11.2
69.07059	64.7
71.04974	5.4
71.15469	2.8
79.05484	39.5
79.22716	1.2
80.05815	1.2
81.03408	7.2
81.07048	38.4
83.04971	6.6
83.08614	11.7
85.06534	28.9
90.09850	1.1
91.05473	26.6
93.07037	29.1
95.04957	49.8
95.08595	18.2
97.02880	8.6
97.06523	7.9
97.10154	14.4
99.08062	1.4
103.74483	1.2
105.07019	21.7
107.04960	11.3
107.08575	19.9
109.06506	32.7
109.10123	10.6
111.08048	3.7
113.05991	68.3
115.05457	2.8
117.07003	12.6
119.04892	1.2
119.08563	14.7
121.06468	5.1
121.10130	9.7
123.04372	2.1
123.08074	5.8
123.11662	1.9
125.09629	12.7
127.07535	2.6
128.06088	1.2
129.07002	8.5
131.08551	14.2
133.06483	3.2
133.10112	9.1
135.08029	26.5
135.11658	4.8
137.09581	4.8
137.15875	1.1
143.08557	7.8
145.10068	10.2
147.08023	6.3
147.11696	5.9
149.09589	4.9
149.13242	3.4
151.11159	2.4
153.09082	2.4
157.10101	6.1
159.08008	2.1
159.11687	7.5
161.09557	6.6
161.13226	1.7
163.11140	2.3
165.09131	3.9
169.12236	1.4
171.10248	1.8
171.11682	3.9
173.13290	2.8
175.11154	2.7
177.12726	2.7
189.11177	5.0
193.12306	1.3
195.11891	1.4
195.13745	2.1
199.14760	3.6
201.12732	1.6
205.12248	1.4
217.15816	9.3
223.13271	18.2
227.17876	2.3
233.15265	1.9
245.18900	3.4
249.15025	2.1
255.17491	2.2
263.20160	2.0
271.23105	1.3
273.18463	29.7
274.18927	1.4
291.19510	100.0
292.19818	5.5
347.22299	2.0
365.18808	2.3
365.23172	36.0
366.23456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64056	1.3
51.48247	1.1
53.03936	4.7
55.01866	9.6
55.05503	33.3
55.55377	1.1
55.85680	1.2
57.03426	14.8
59.06862	1.1
65.03918	1.9
65.81274	1.4
67.05496	40.7
69.03419	15.5
69.07059	46.1
70.23148	3.1
70.23559	3.8
71.04985	2.4
71.34035	1.3
77.94666	1.1
79.05482	39.6
80.05810	1.3
81.03409	7.8
81.07045	46.2
83.04967	5.3
83.08607	12.3
84.26589	1.4
91.05462	24.6
93.07037	25.1
95.04946	13.8
95.08588	16.2
97.02881	17.5
97.06506	5.0
97.10148	15.3
105.07023	16.3
107.04929	14.1
107.08574	19.7
109.02917	1.2
109.06500	25.4
109.10134	12.0
111.04411	1.2
111.08087	4.2
117.07008	8.9
119.04993	1.1
119.08554	15.3
121.06474	6.3
121.10115	8.4
121.32637	1.1
123.08033	6.9
125.09615	12.8
129.06973	5.9
131.08559	10.7
133.06503	4.1
133.10101	7.7
135.08073	7.6
135.11685	4.1
137.09605	4.3
141.06989	1.5
142.07756	1.5
143.08530	5.5
145.10126	6.5
147.08041	6.8
147.11661	4.4
149.09547	2.4
149.13255	2.9
149.60205	1.3
151.11197	1.7
153.09087	2.8
155.08527	1.3
157.10132	3.5
159.08133	1.9
159.11676	5.7
161.09615	7.4
161.13211	1.3
163.11223	2.6
165.09021	1.4
169.10072	1.4
171.11726	2.5
173.11725	1.6
175.11201	2.9
177.12772	3.1
189.11211	8.3
189.12721	1.9
191.10658	1.7
193.12436	1.2
195.13795	2.9
197.87068	1.2
205.12294	2.6
223.13258	30.5
227.17993	2.6
245.18980	3.1
249.14906	2.8
256.07196	1.3
263.19998	2.5
273.18442	21.7
274.18912	1.4
291.19492	100.0
292.19888	2.7
347.22006	3.6
365.23178	40.4
366.23550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41423	0.8
53.03930	2.7
55.01861	7.5
55.05235	2.0
55.05503	33.7
56.09723	0.8
57.03431	11.9
57.48181	0.8
63.38317	0.9
65.03938	1.4
67.05497	35.7
69.03418	14.7
69.07060	45.4
69.43914	9.7
71.04974	2.5
79.05485	26.9
81.03403	6.5
81.07044	24.7
83.04977	5.4
83.08605	9.9
85.06494	1.7
91.05468	14.6
93.07032	19.3
95.01313	1.0
95.04958	8.6
95.08599	12.2
97.02882	18.2
97.06512	3.9
97.10162	17.8
99.08047	0.9
105.07011	13.5
107.04932	6.9
107.08584	16.1
109.06482	4.1
109.10147	10.4
111.08074	2.1
112.32425	0.9
117.06996	8.3
119.08569	11.0
121.06459	3.2
121.10130	5.8
123.04440	1.6
123.08029	3.9
125.09612	13.2
128.06177	1.2
129.06989	2.6
131.08545	6.1
133.06494	3.1
133.10127	5.2
135.08022	5.2
135.11656	3.5
137.09572	1.9
143.08533	4.1
145.10092	4.7
147.08035	5.2
147.11658	2.2
149.09590	1.8
149.13229	3.6
151.11076	1.2
153.09172	1.7
157.10104	2.9
159.08167	1.1
159.11644	3.1
161.09618	3.3
163.11154	2.0
165.09103	1.4
171.10188	1.8
171.11671	2.2
173.09509	1.0
175.11134	2.4
177.12727	2.3
185.13127	1.0
189.11198	7.4
189.12723	1.4
195.13803	2.0
205.12207	2.6
223.13268	39.7
227.12764	1.3
245.19026	1.8
247.16882	1.0
263.20087	1.7
273.18478	14.1
291.19504	100.0
292.19815	2.2
332.92297	0.9
347.22269	1.7
365.23175	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.9
53.72334	1.8
55.01867	20.5
55.05510	29.7
57.03198	2.5
57.03435	27.6
57.07060	3.3
65.03928	6.5
67.05499	100.0
69.03435	9.1
69.07071	24.2
69.49773	4.1
69.50186	15.1
71.04987	9.5
72.77493	2.0
79.05489	79.6
81.03426	10.3
81.07051	95.1
83.01303	3.0
83.04979	20.9
83.08623	10.6
85.02895	1.8
85.06527	6.9
87.80289	1.7
91.05477	90.2
93.07035	80.4
95.04967	24.4
95.08607	37.0
96.26868	2.0
97.02884	2.2
97.06516	14.6
99.04430	2.8
101.06006	2.1
103.05453	3.9
105.04450	3.4
105.06331	4.2
105.07023	74.9
107.04956	23.5
107.08588	57.5
107.09324	2.1
109.02837	2.5
109.06516	16.3
109.10149	52.6
111.04418	3.5
111.08070	11.6
113.05962	1.8
115.05424	5.5
117.07008	19.0
119.04958	2.7
119.08566	26.7
121.06490	15.3
121.10137	20.9
123.04492	2.4
123.08022	10.2
123.11707	12.5
125.05983	2.0
127.07556	2.9
128.06224	3.2
129.07011	10.9
131.08565	28.8
133.06493	20.4
133.10120	86.7
135.08069	19.7
135.11684	11.1
137.05946	4.0
137.09576	6.5
138.60291	2.1
139.07512	8.9
143.08537	9.9
145.06485	2.4
145.10120	13.4
147.08028	8.7
147.11674	6.7
149.09599	21.1
151.11166	48.3
153.12515	2.5
157.06503	2.2
157.10092	5.5
159.08052	8.4
159.11674	5.5
161.09621	19.7
161.13239	6.2
163.11137	7.0
165.83353	2.2
169.12279	6.7
171.11673	8.8
173.09621	3.3
175.11118	10.3
177.09131	9.0
177.12695	2.4
179.10716	3.3
185.13147	4.1
187.11174	3.3
189.12733	7.1
193.12251	2.9
199.11243	4.1
215.12766	2.8
223.13275	3.2
227.17953	5.2
245.18994	12.8
251.12682	3.9
253.14313	26.0
255.17412	7.2
263.20032	8.7
269.13803	6.6
273.18506	44.2
291.19519	32.0
347.22021	6.0
365.23251	54.8
365.27808	3.4
366.23270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
54.13854	1.4
55.01860	4.1
55.05501	13.7
57.03424	15.1
57.07069	4.3
58.57462	1.5
62.43784	1.5
65.03931	2.2
67.05491	30.3
67.47942	1.6
69.03426	2.0
69.07049	17.7
69.65293	3.9
69.65700	8.8
71.00858	1.6
71.04970	2.6
71.08628	1.4
79.05479	19.1
81.03441	2.0
81.07048	25.2
83.04995	4.4
83.08614	4.3
85.06537	10.1
91.05463	16.2
93.07026	18.3
95.04952	18.6
95.08586	15.7
97.06546	2.8
97.10138	2.5
105.06998	12.5
107.04927	3.0
107.08579	16.4
109.06483	12.3
109.10129	7.2
111.04421	2.0
111.08041	1.8
113.00005	12.5
113.05995	14.8
117.07028	4.9
119.08552	15.3
121.06450	2.1
121.10144	6.9
123.08053	14.2
125.09623	2.5
128.06299	1.8
129.07027	5.3
131.08594	7.0
132.53131	1.4
133.10135	10.4
135.08025	10.7
135.11717	5.6
137.05894	2.3
142.07779	3.2
143.08575	5.8
145.10121	9.4
147.08044	3.5
147.11722	5.5
149.09653	3.7
151.07567	7.0
151.11177	2.6
152.08377	5.3
155.08502	3.0
156.09357	2.7
157.10141	7.2
159.11699	6.7
161.09648	5.3
161.13277	2.6
165.09093	29.1
165.12752	1.9
169.10197	2.8
169.48087	1.4
170.10957	1.9
171.11725	6.4
173.13345	2.8
175.11255	2.7
177.12761	1.9
179.10750	4.5
181.10118	2.9
182.10872	1.6
183.11713	4.1
185.13252	2.2
187.11200	2.9
193.10167	2.5
193.12331	2.6
195.11702	3.3
197.13335	2.8
206.10979	2.2
207.11760	3.0
208.14577	3.3
209.13350	4.0
213.12805	2.8
217.15912	2.1
219.11559	1.6
221.13326	3.4
221.15355	3.4
223.14989	2.7
234.13997	2.6
235.14862	1.8
237.16498	3.5
249.18594	2.4
263.17856	2.3
273.18402	8.2
291.19580	17.6
293.69437	1.7
305.24915	5.1
319.26453	6.4
347.25839	58.1
365.10794	2.3
365.27002	100.0
366.27438	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	365.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01831	0.9
54.97244	1.0
55.01853	1.0
55.05487	3.7
57.03412	2.4
57.07069	1.6
67.05496	9.5
69.03415	1.0
69.07056	6.6
70.52300	4.4
73.96918	1.0
76.69725	1.1
79.05468	5.7
81.07034	7.3
83.08598	1.5
85.06537	2.4
91.05463	5.8
92.21938	1.0
93.07017	4.5
95.04951	4.8
95.08592	6.8
97.06496	1.7
102.71064	1.0
105.07013	3.6
107.08569	4.5
109.06490	4.8
109.10134	3.2
112.99988	3.6
113.05995	4.5
117.06995	1.8
119.08556	4.4
121.10107	2.2
123.08057	6.1
131.08548	2.0
133.10138	3.0
135.08081	2.6
135.11670	1.9
143.08504	1.6
145.10095	2.1
147.07991	1.2
149.09607	1.6
151.07532	3.9
152.08302	2.9
156.05370	1.1
157.11668	1.1
159.11592	2.3
161.09634	1.9
165.09102	12.9
165.12665	1.5
178.09607	1.1
179.10670	2.5
208.14598	1.4
221.15314	2.7
273.18472	2.7
287.25339	1.2
291.19531	6.5
305.24585	5.1
312.32452	1.1
319.26236	7.1
347.25784	45.9
365.26846	100.0
366.27097	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	365.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62117	0.7
68.81538	0.6
70.38376	2.8
82.99823	1.1
83.42562	0.7
86.68781	0.7
97.02869	1.2
101.00842	5.4
109.02769	0.7
110.01405	1.3
113.00829	1.2
119.01898	16.2
122.01374	1.6
127.02338	0.8
129.03896	0.8
131.01875	14.1
131.51924	1.4
137.01871	5.7
137.02943	2.2
137.51984	1.4
138.01744	1.1
140.64754	0.8
143.01877	11.3
143.51918	0.8
145.03445	6.4
146.02448	1.2
147.01381	0.9
149.02959	1.1
152.02388	3.7
152.52510	1.1
155.01880	5.5
157.03447	3.3
158.02382	1.7
161.02925	15.6
163.04547	0.9
167.01859	2.2
169.03467	2.0
170.99907	0.7
171.05069	1.0
173.01488	1.6
173.02934	19.7
173.52956	0.8
179.01697	1.6
179.03085	1.0
182.03499	0.9
185.02892	17.5
185.04237	26.3
187.04523	2.5
188.03448	1.0
194.03473	2.6
197.02943	6.2
203.05324	54.2
203.53981	1.2
211.23259	0.9
212.04599	0.8
215.04001	4.7
227.04013	3.2
244.08063	0.9
245.05029	35.2
246.05319	1.2
257.05112	1.2
263.06091	8.2
275.06125	1.9
293.07242	0.9
305.07278	1.0
365.10519	100.0
366.10889	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	365.159
Annotation	Gibberellin A55
Peak:m/z	Relative Intensity
53.00273	2.1
53.03929	3.1
55.01851	8.7
55.05501	10.4
57.03416	9.3
61.02926	2.7
65.03922	3.5
67.05493	39.6
69.03413	15.1
69.07056	12.8
69.15264	2.3
70.06584	12.5
71.01347	2.9
71.04980	12.9
71.70461	2.7
79.05481	26.1
81.03390	6.7
81.07038	35.5
83.04969	10.6
83.08593	3.4
84.04488	2.2
84.08160	3.1
85.02894	5.1
86.09656	2.9
91.05470	39.0
93.03391	2.2
93.06496	3.7
93.07027	39.7
95.04393	3.8
95.04950	45.2
95.08588	18.2
97.02879	100.0
97.06500	14.2
97.10145	3.7
99.04433	6.7
99.08069	2.0
103.05484	2.7
105.07024	38.4
107.04939	8.2
107.08587	21.6
109.02911	2.1
109.06463	12.5
109.10126	5.8
111.04445	12.1
111.08053	3.1
113.05975	7.5
115.05426	4.6
117.06966	9.3
119.04919	6.8
119.08566	33.3
121.02818	4.6
121.06493	21.9
121.10124	17.2
123.04400	10.8
123.08059	7.9
125.05967	11.4
125.09611	5.0
127.03904	2.6
128.06177	3.2
129.06967	15.9
131.04906	3.1
131.08540	34.5
131.09454	3.2
133.06480	9.2
133.10101	14.8
135.04381	10.6
135.08009	11.5
135.11632	5.9
137.05954	5.8
137.09563	4.4
139.07602	2.3
141.05450	5.9
141.07007	4.6
142.07739	4.6
143.07048	3.8
143.08516	13.8
144.09297	2.9
145.06451	7.2
145.10107	25.8
147.04366	3.2
147.08043	16.2
147.11624	9.9
149.05977	4.8
149.09586	10.7
149.13248	3.5
150.06721	4.8
151.07510	8.4
154.48308	2.0
155.08502	7.7
157.10060	10.7
158.07280	3.3
159.08015	16.2
159.11667	10.8
161.05936	6.2
161.09604	9.6
163.07500	12.9
163.11124	9.1
165.05496	4.7
165.06912	2.3
165.09099	3.3
167.07181	2.8
167.08531	3.3
169.08572	6.0
169.10034	5.9
171.08057	4.2
171.11646	6.6
173.06039	3.1
173.09572	7.8
173.13229	5.7
174.48659	2.2
175.07535	8.1
175.11168	7.1
177.09062	15.2
179.06868	2.5
179.08467	3.6
180.09442	2.3
181.10095	7.0
183.07993	3.8
183.11635	4.4
185.04250	2.7
185.08102	5.9
185.09619	8.8
185.13235	6.6
186.10432	2.7
187.07501	20.8
189.09053	10.1
189.11165	2.1
189.12779	4.2
191.07051	3.3
191.10664	7.3
195.11594	4.8
197.09645	3.4
197.13260	3.5
199.11137	4.1
199.14862	3.9
201.09033	5.0
201.16296	2.9
203.05147	3.8
203.10641	7.1
205.08545	32.7
207.10086	6.0
209.07899	2.5
209.11659	16.5
209.13240	2.2
211.07579	2.5
213.12758	4.0
214.09825	2.3
215.07018	7.0
223.11328	2.5
225.12791	2.6
227.10612	3.7
229.08508	4.3
231.13786	4.1
233.07970	16.0
233.11736	3.5
237.12848	3.4
241.12186	7.4
245.18971	4.2
250.11852	3.2
251.11046	2.4
255.13707	4.0
255.17499	4.7
259.13297	6.3
265.12250	7.9
269.11777	11.1
273.18445	17.6
275.16425	3.5
283.13248	25.1
285.14795	4.5
287.12781	7.2
291.19446	6.4
293.11761	11.8
301.14297	14.9
311.12708	31.7
319.15323	6.7
329.13828	27.5
347.14841	68.8
347.21799	4.7
365.06424	7.0
365.10388	7.7
365.15649	6.2
365.23212	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	364.2588
Annotation	Cetyltrimethylammonium bromide
Peak:m/z	Relative Intensity
53.03921	0.6
55.05502	0.9
58.06581	2.0
58.32327	0.5
59.08352	0.5
66.81734	0.6
69.06686	1.1
69.07056	16.4
70.06573	0.8
70.84809	1.0
70.85184	1.1
72.08131	4.3
73.06532	1.4
84.04488	1.4
84.08107	1.6
95.04951	1.0
96.08086	0.7
97.06505	4.5
98.06024	3.5
98.09664	5.0
105.03371	62.9
106.03682	1.4
112.11241	2.8
114.09142	0.5
115.07541	6.1
126.09125	11.6
132.78940	0.6
134.05974	4.8
153.13762	0.6
154.12238	20.3
155.12607	0.8
161.10774	0.7
162.09113	54.2
163.09468	2.3
167.40169	0.4
168.13779	3.1
171.14879	1.0
172.13292	46.8
173.13606	1.7
176.10666	6.3
186.14850	3.2
219.14835	0.7
233.16377	2.7
250.19135	4.3
254.33243	0.6
291.78998	0.5
346.24921	4.7
347.23389	0.8
364.25870	100.0
365.26202	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	365.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27521	2.4
56.96550	5.5
61.45002	2.4
78.57702	2.1
97.02817	2.5
98.21185	12.6
98.97567	9.2
101.00858	9.5
110.12534	2.0
115.02395	2.7
116.98601	5.7
119.01894	20.4
128.98502	2.6
131.01906	12.9
134.99646	2.9
137.01891	3.0
137.02875	4.2
137.90515	2.1
143.01888	9.9
145.03453	8.2
146.99536	2.7
149.02956	2.5
155.01846	5.5
157.03397	7.6
161.01793	2.2
161.02975	15.5
171.04970	3.5
173.02943	23.3
173.52945	2.2
181.46536	2.5
185.02783	22.3
185.04332	21.2
187.04414	3.6
189.00768	2.5
191.03864	3.2
194.03508	2.6
197.02927	8.3
202.98622	3.6
203.05348	48.4
209.02739	2.5
215.03909	5.9
230.98073	4.3
231.97334	2.9
245.05022	44.9
263.00644	2.5
263.06039	6.0
365.06192	24.8
365.10480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2586
Annotation	Cetyltrimethylammonium bromide
Peak:m/z	Relative Intensity
50.28918	0.2
55.05508	0.2
58.06582	3.3
65.03912	0.6
69.81973	1.4
71.08618	10.5
72.07764	0.4
72.08143	6.7
73.08429	0.2
84.08130	1.9
85.80209	0.2
99.08077	19.2
100.08434	0.3
111.04437	0.5
112.11214	2.4
113.59154	0.2
121.02844	41.0
122.03168	0.8
128.10693	2.6
129.13866	0.8
138.05424	0.3
140.10654	0.4
146.11742	0.3
150.05443	0.3
155.15442	1.4
156.13811	100.0
157.14169	2.6
170.15376	0.8
173.16461	0.6
177.10257	0.3
178.08603	9.1
192.10167	9.0
193.10567	0.3
197.12057	0.2
209.12936	0.3
227.21150	2.5
243.75473	0.3
244.23801	1.8
249.15968	1.0
266.18643	0.8
282.64267	0.3
310.33917	0.3
346.24872	1.6
347.23190	1.8
364.25879	83.9
365.26224	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	364.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01866	5.9
55.05506	32.3
56.05008	2.8
57.03415	3.7
58.06597	3.1
59.24202	1.1
60.04498	4.0
60.14609	1.4
67.05499	19.1
69.03410	3.9
69.07062	13.9
70.06561	3.9
79.05482	29.5
80.04981	1.9
81.03394	1.8
81.06606	2.4
81.07044	31.5
82.06571	7.9
83.04944	3.1
83.08611	19.3
91.05466	14.0
93.07031	18.7
94.06540	3.6
95.04963	8.4
95.08599	9.7
96.04478	8.6
96.08102	2.9
97.06509	2.8
97.09576	2.3
97.10152	32.3
98.09661	1.2
101.05907	1.2
105.07007	12.6
107.04931	11.3
107.08583	18.1
108.08079	2.1
109.06485	5.3
109.10138	4.0
110.06029	3.9
110.09664	3.2
111.08089	2.4
112.99974	3.3
117.07016	7.9
119.04924	1.4
119.08572	16.5
121.06463	3.7
121.10133	13.8
122.09645	7.1
123.07996	2.2
124.11182	1.3
125.09615	28.0
129.06967	4.5
131.08537	6.4
132.08049	2.8
133.06526	1.7
133.10104	3.0
135.08043	9.1
135.11652	4.2
138.12752	18.3
143.08557	2.3
145.10138	9.7
146.09578	1.5
147.08032	9.3
149.09607	2.0
152.10724	8.0
153.09081	3.5
153.12729	1.7
157.10147	2.9
157.12144	1.3
159.11571	3.3
161.09608	2.3
162.12762	3.4
163.11162	4.4
171.11714	1.6
173.09564	1.7
175.11107	2.7
177.12631	1.5
180.13826	7.4
181.12257	3.4
185.13145	1.3
191.10628	1.7
203.12781	9.0
203.14386	1.6
204.13797	1.7
205.12184	3.9
208.13316	12.5
222.14873	2.8
223.13191	1.4
231.30557	1.3
237.14825	19.4
240.15973	6.8
245.18964	2.0
255.17488	1.9
272.20065	4.5
273.18436	14.5
290.21164	8.8
291.19479	3.6
304.22693	13.0
305.21072	32.6
305.24393	1.3
322.23730	18.1
332.22156	6.3
347.25867	1.6
364.24759	100.0
365.25092	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	363.2888
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.03941	0.6
54.71275	0.6
55.01867	0.9
55.05507	5.8
57.03426	1.1
57.07053	1.5
58.70816	0.5
59.04987	0.8
67.05498	7.7
69.06693	0.6
69.07059	9.9
70.23103	2.4
71.04982	1.7
71.08609	1.1
79.05492	3.9
81.06615	0.7
81.07051	11.7
83.04978	1.0
83.08595	3.8
85.06516	1.4
88.93162	0.5
91.05473	3.2
93.07043	5.8
95.04948	1.3
95.08596	9.5
97.06529	1.9
99.08072	0.8
105.07019	2.3
107.08573	5.5
109.06499	10.3
109.10161	3.7
111.08077	2.0
117.07021	0.8
119.08567	3.6
121.06386	0.9
121.10130	3.6
122.07290	0.9
123.08056	62.3
123.11668	2.6
124.08415	1.5
125.09616	0.6
131.08580	0.9
133.10094	2.8
135.08043	5.0
135.11673	1.7
137.09587	3.4
137.13264	0.6
139.28999	0.5
145.10101	1.4
147.11665	2.2
149.09615	1.1
149.13229	2.0
151.11142	1.3
151.14799	0.7
159.11647	1.4
161.13255	1.3
165.12698	0.7
167.14305	0.7
173.13242	0.8
179.14291	21.0
193.15891	0.8
197.42477	0.5
198.34335	0.6
211.43448	0.5
219.61185	0.5
233.18953	0.7
275.19992	1.4
289.25104	0.5
295.22781	0.8
303.26733	1.0
307.22665	8.3
331.26306	5.5
345.28058	0.6
363.28903	100.0
364.29202	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	363.2886
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.05619	0.3
53.69242	0.3
55.01877	0.5
55.05508	4.3
57.07083	1.7
58.53235	0.4
62.56142	0.4
62.72321	0.4
67.05492	4.6
69.07058	8.0
70.29994	0.5
70.30389	1.1
71.04974	1.1
71.08609	1.3
73.06543	0.7
73.20880	0.3
79.05476	3.0
79.73638	0.3
81.07043	10.3
83.04974	0.6
83.08608	3.4
85.06532	0.9
91.05442	1.6
93.07034	3.9
95.04923	0.8
95.08591	7.8
97.06508	1.8
97.10150	0.8
99.08083	1.1
105.07015	2.7
107.08580	4.3
109.06501	7.1
109.07204	0.6
109.10123	3.5
111.08066	1.4
116.42049	0.3
118.13290	0.3
119.08566	3.2
121.06493	0.6
121.10143	3.2
122.07310	0.4
123.08052	46.7
123.11694	1.9
124.08342	0.7
131.08548	1.2
133.10081	2.2
135.08057	3.3
135.11667	1.6
136.08842	0.5
137.09599	3.1
137.13243	0.8
143.08499	0.5
145.10100	0.9
147.11656	2.1
149.09604	1.0
149.13220	1.9
151.11160	0.5
159.11699	0.7
161.13269	1.1
163.11124	0.5
163.14825	0.5
165.12697	0.8
167.14293	1.0
173.13321	0.6
175.14790	0.4
177.12753	0.6
179.14284	22.1
180.14606	0.4
191.32179	0.4
193.15915	0.7
213.75102	0.4
261.22037	0.5
263.19986	0.5
275.20016	0.9
289.21609	0.5
289.25177	0.6
295.22754	1.0
303.27057	0.5
307.22647	7.9
331.26260	4.8
345.27921	0.9
363.28891	100.0
364.29202	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	363.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46579	4.5
53.03925	4.6
55.01877	6.2
55.05504	43.9
57.03405	15.5
57.07055	5.3
58.85091	5.3
67.05492	58.7
68.69505	5.3
69.03397	6.5
69.06735	6.1
69.07063	62.1
69.48979	53.9
71.08598	5.7
79.05494	35.2
79.76099	5.8
81.03400	10.5
81.07042	56.6
83.04964	7.7
83.06082	6.9
83.08607	27.0
85.06525	6.1
90.58791	6.0
91.05483	24.7
93.07034	42.2
95.04931	11.4
95.08585	56.0
97.06510	12.3
97.10146	24.7
98.21486	10.8
99.08046	8.1
105.07009	22.6
107.04902	7.4
107.08573	30.5
109.06474	5.2
109.10160	28.6
109.10778	5.2
117.06955	5.6
119.08552	21.8
121.06493	8.9
121.10107	27.6
123.08058	6.3
123.11690	10.2
125.09618	8.5
127.94966	5.3
129.06949	6.1
133.10118	24.1
135.08044	15.2
135.11652	24.3
137.09479	6.2
137.13240	6.5
147.11667	13.1
147.17970	6.5
149.13348	6.4
156.13818	24.3
157.10107	7.1
159.08162	7.8
161.13289	7.5
169.02536	8.1
217.19481	22.6
235.20531	21.1
253.21558	12.8
271.16760	9.9
289.17889	13.0
309.24213	7.0
327.25253	100.0
363.21661	26.8
363.27975	12.5
364.25824	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2137
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
50.88597	0.5
50.91555	0.4
55.05493	1.1
58.06600	0.7
67.05476	1.1
68.05008	0.9
69.18697	0.6
71.04983	1.1
71.70755	0.9
72.77480	0.5
79.05460	1.5
81.07034	1.7
83.04960	0.9
84.08128	1.3
87.25195	0.5
91.05457	1.4
93.07010	1.0
95.04975	0.5
95.08579	1.3
96.08118	7.7
97.06506	0.6
103.23895	0.5
105.07008	1.4
107.04934	0.7
107.08581	0.8
109.06506	0.7
112.07611	3.7
117.07003	0.6
119.08530	0.6
123.07990	0.6
124.07562	1.5
131.08565	1.1
135.08067	0.7
137.05725	1.1
138.09102	1.8
147.07994	0.5
147.42912	0.5
159.54602	0.5
197.01942	0.6
235.13042	1.3
263.48920	0.5
273.18448	0.9
304.22766	0.8
322.23740	0.6
326.46243	0.6
331.59256	0.6
332.22549	0.5
363.21359	100.0
364.21478	3.5
364.25381	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	363.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40620	1.2
55.05506	2.0
62.63365	1.4
67.05489	1.8
69.99360	9.7
79.05495	2.0
81.07043	3.3
83.08572	1.4
91.05472	1.9
98.21381	1.9
105.07030	1.6
109.10094	1.9
119.08556	2.2
120.14500	1.4
121.10109	1.8
123.08040	3.5
136.68909	1.5
136.70012	1.2
152.22682	1.4
166.39728	1.4
179.14330	5.6
363.25006	100.0
363.28897	8.4
364.25266	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	363.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	57.2
57.07063	29.5
57.84793	17.4
61.47658	15.6
67.05506	46.6
67.80460	16.2
69.07071	20.4
69.44157	80.8
69.44583	100.0
74.09721	34.0
79.05479	33.7
81.07033	52.7
87.27477	16.2
88.22982	17.7
91.05447	38.1
93.07041	28.8
95.08569	36.8
97.10172	30.3
97.96785	15.3
105.07018	34.2
107.08574	43.6
109.06460	18.7
109.10151	25.8
112.99966	24.9
119.08582	58.9
120.15531	17.1
121.10125	25.4
125.09624	27.9
145.10068	16.8
159.11652	17.5
165.12640	26.7
166.13100	35.6
166.46873	16.5
237.80264	17.1
305.20999	24.8
312.12375	33.5
322.23883	20.8
363.19061	52.8
363.30838	34.0
364.24896	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.2
57.03424	7.5
58.99849	5.1
61.02902	9.6
69.03410	8.1
69.79414	17.0
72.19086	2.3
73.02896	2.9
77.00884	4.6
81.53777	2.4
82.99844	4.1
85.01394	5.8
85.02884	19.7
86.03249	3.1
91.02422	5.9
97.02869	6.1
98.21206	6.3
98.97543	13.4
99.71799	2.5
99.97898	2.7
101.00861	37.6
103.02431	18.2
110.97541	3.9
113.00842	8.5
115.02387	15.8
116.98602	4.6
117.03999	7.2
119.01903	89.3
119.02758	4.5
119.03696	5.1
121.01640	9.5
121.02534	2.3
121.03463	12.6
127.02386	9.2
127.03895	7.5
128.98581	4.8
129.00320	3.6
131.01880	58.6
131.02774	5.1
133.01668	2.8
133.03452	45.5
134.99612	3.4
135.05006	7.4
136.05177	2.3
137.02930	11.1
137.04767	8.2
139.02493	2.4
141.01242	2.7
142.96524	3.8
143.01875	10.0
144.00839	3.9
144.99803	6.2
145.03435	81.1
146.03658	3.1
146.99538	7.3
147.01358	18.6
147.03111	16.4
147.05019	4.1
147.76747	2.4
149.02917	19.4
150.01764	3.4
151.04478	5.2
152.93587	2.5
155.01857	19.2
157.03549	12.4
158.99631	8.0
159.01404	7.5
159.05049	6.3
161.02852	15.6
163.04495	14.4
165.04269	6.6
168.99820	10.6
169.03465	6.4
171.01367	18.6
172.99312	6.9
173.01469	5.4
173.02939	63.0
174.99260	3.0
175.00848	9.2
175.04504	8.9
177.00710	4.6
177.02400	9.3
182.03268	3.4
182.53458	2.8
182.99628	3.0
183.01263	2.7
185.02873	15.8
186.01987	3.0
187.00842	15.8
187.04468	6.2
189.00690	6.4
189.02405	28.1
191.00441	4.9
191.02203	5.1
191.03909	18.3
191.54033	9.7
193.00163	5.2
193.01923	5.2
194.01598	3.1
196.04518	3.8
196.99146	3.3
197.01195	3.0
197.02962	6.8
199.00865	25.0
199.04485	5.8
200.04340	5.8
200.54553	7.3
201.00644	7.0
201.02425	6.6
203.03960	16.6
205.01871	8.6
207.01685	6.2
207.03537	7.0
213.02455	5.0
215.00308	9.6
215.02283	7.6
215.04048	5.1
217.01915	100.0
218.02058	3.2
219.01727	6.2
219.03537	9.0
221.05048	11.6
225.02678	3.0
226.02287	6.6
226.52457	3.1
229.01959	10.0
231.03470	8.9
233.03133	3.6
235.02966	30.4
235.06636	6.8
242.03648	5.6
242.99757	14.0
244.82617	3.1
247.02824	15.6
253.07776	3.9
257.01385	3.5
257.05197	4.0
259.03055	8.3
261.02808	3.2
265.03989	9.7
270.99197	4.0
271.03015	5.7
273.00821	5.2
275.02319	4.0
281.06915	3.3
281.57224	5.5
287.02557	4.8
291.05722	8.6
299.02533	3.7
301.04016	16.2
303.01843	9.7
303.05557	17.0
304.62488	2.7
315.02042	3.7
317.03497	4.6
319.05109	14.4
323.83054	2.9
331.01520	4.2
331.05084	31.3
333.02859	4.2
345.02951	8.4
349.02347	4.9
363.03766	13.1
363.07849	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	363.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67051	1.3
56.96559	100.0
58.99855	1.7
59.04948	1.7
60.04518	3.6
61.02889	2.0
63.54012	1.4
69.03419	4.1
70.06572	5.6
70.97741	2.5
70.98110	26.1
70.99844	1.6
71.01345	1.6
71.82462	1.4
71.95222	1.6
72.08146	11.7
73.02901	2.4
74.97591	11.0
77.00890	1.9
81.03324	1.5
83.11742	1.5
84.04468	2.1
84.08119	5.9
84.96014	6.0
85.02899	5.5
86.06063	1.5
86.09686	5.4
88.99150	29.2
92.98637	2.2
95.03062	1.4
97.02888	2.5
97.99158	1.8
98.21067	10.7
98.97562	13.4
100.99104	3.2
101.00871	3.4
103.02439	5.4
107.00172	11.9
110.97553	4.4
116.98598	12.3
117.01847	1.7
117.03975	2.5
119.00210	4.0
119.01904	14.9
121.01691	2.5
121.03461	3.7
127.04936	1.5
128.98584	17.7
129.10167	1.8
130.41440	1.8
131.01915	7.5
133.01633	3.6
133.03488	7.6
134.99609	5.5
135.05016	4.9
136.06186	1.8
137.02956	2.7
137.05946	1.6
144.98044	5.5
145.03448	18.9
146.99635	49.2
147.01379	5.5
147.04248	1.8
149.02945	6.7
153.00632	1.7
155.00172	1.4
155.01877	1.9
158.99623	2.9
159.05035	2.3
161.01324	2.9
161.02965	6.7
162.99115	14.7
163.04518	10.5
164.00775	5.8
165.00697	82.3
165.02141	3.3
170.01175	1.8
171.01404	3.5
171.05052	2.4
172.97615	2.8
173.01329	2.0
173.02934	3.8
173.06662	1.9
174.99112	8.4
175.00673	2.8
175.02792	2.1
175.04427	2.2
176.00827	2.6
177.00681	7.6
179.02235	2.2
181.00148	5.7
183.01694	14.9
185.02997	1.8
185.81958	1.8
186.99156	3.1
187.04456	5.3
188.00807	2.1
188.02316	4.0
189.00786	2.4
189.02426	12.1
189.06075	4.0
190.98643	16.5
191.02213	1.8
191.03929	2.6
193.00150	14.6
193.01831	3.1
193.03625	1.7
197.01311	3.8
197.02960	3.9
199.01247	2.4
199.04507	3.4
201.02400	2.6
203.03799	2.3
205.00172	57.9
205.05495	1.9
207.03474	4.9
208.99776	3.3
209.04956	1.7
211.01164	2.1
215.04012	11.2
217.01942	4.3
217.05577	2.8
218.98112	3.3
219.01671	4.5
223.01237	86.8
223.99924	3.7
228.01793	5.3
229.05670	1.7
231.03464	2.4
231.05402	1.9
232.99634	4.5
234.01358	1.7
235.01126	2.0
236.99222	1.5
237.02664	3.0
241.02158	8.2
243.03520	2.3
245.03102	1.7
245.06821	9.8
245.57153	2.0
246.02840	4.2
247.01212	7.2
249.04538	2.6
251.00677	4.3
257.05017	6.6
260.96155	1.8
265.02298	6.4
269.03412	2.0
273.04517	2.3
275.00690	8.7
277.02283	5.7
281.01746	2.8
293.01730	2.3
301.04019	2.7
303.00580	2.3
321.02673	2.3
335.02750	4.4
380.88968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05490	3.6
57.03423	5.1
57.07069	6.7
58.02484	0.7
58.06576	2.7
59.05000	0.8
67.05493	12.4
69.07034	1.8
70.06217	1.1
70.06580	19.9
70.43639	3.0
71.04987	0.6
71.08620	4.0
72.08131	1.9
79.05453	2.4
81.03428	0.7
81.07053	4.5
83.04934	0.6
83.08596	2.2
84.08113	1.9
85.06511	1.0
86.09676	2.9
88.07611	8.4
91.05461	1.8
93.07019	3.2
95.08586	2.9
97.10122	2.3
99.08061	1.2
102.09170	4.7
105.07017	1.5
107.04910	0.8
107.08552	2.8
109.10141	11.6
117.06934	0.9
119.08553	2.4
121.10130	1.1
123.08162	0.8
125.09607	1.6
129.07005	0.9
131.08530	1.4
132.10191	7.4
132.42889	0.7
137.09613	1.2
145.06415	0.7
146.11732	8.5
147.01906	0.6
149.13200	0.7
155.10649	2.6
159.08060	0.7
173.11714	13.1
173.13103	1.2
187.13220	6.7
203.12743	2.9
203.69739	0.7
212.23700	3.0
224.18715	0.7
233.15324	0.8
241.19252	1.0
256.26309	16.1
257.26718	0.9
261.18463	0.8
271.17001	0.9
277.21579	3.1
289.17981	1.5
295.22421	1.3
300.28928	32.5
301.29263	1.1
344.31357	0.8
362.32571	100.0
363.21500	1.6
363.32895	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	362.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25884	0.3
55.05498	0.4
56.05027	0.3
58.06317	0.4
58.06586	4.2
58.82291	0.3
69.03408	0.3
69.07038	0.6
69.35508	0.3
70.06572	0.8
70.30571	1.5
71.08617	12.2
72.07768	0.5
72.08141	7.2
74.05676	0.5
74.06062	6.1
79.05476	0.7
81.07032	0.8
84.08127	2.8
85.02875	0.4
86.09657	0.3
91.05460	12.2
93.07030	0.4
95.08585	0.3
99.08075	21.7
100.08381	0.5
105.03340	1.0
105.07030	0.7
107.08568	0.6
109.10133	0.4
112.11211	2.4
119.08549	0.8
120.08083	4.3
120.99217	0.3
128.10667	2.5
129.13794	0.3
131.04890	0.6
131.08514	0.5
135.08171	0.3
145.10046	0.4
146.11711	0.4
148.07535	0.9
155.15379	0.9
156.13805	98.0
157.14172	3.6
159.11642	0.3
170.15347	2.8
176.10674	25.1
177.10994	0.7
189.11078	0.4
190.12248	8.5
197.70937	0.3
201.21999	0.3
207.14937	0.4
227.21077	0.6
243.11292	0.4
247.17993	1.8
253.25587	0.3
264.20712	0.6
342.87021	0.3
344.26999	1.4
345.25046	1.7
362.27936	100.0
363.12656	0.4
363.21442	0.6
363.28271	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	362.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67353	0.4
53.03934	0.9
55.05511	2.0
58.06588	0.5
60.04510	0.6
62.72560	0.4
65.87471	0.4
67.05490	0.5
70.06576	1.2
71.04984	7.9
72.08141	6.9
73.06544	4.4
77.03902	0.4
81.07044	0.8
84.08125	1.2
85.06525	0.6
87.74886	0.4
95.04958	2.0
98.06052	1.4
100.07616	1.9
105.03378	90.9
106.03706	1.4
112.07592	0.6
112.11229	1.9
113.05991	3.1
116.07068	0.4
120.08109	0.6
123.56724	0.4
134.05061	0.7
134.05997	7.0
140.37627	0.4
142.08621	1.2
156.13837	0.4
161.10728	0.7
162.09120	95.8
163.09479	1.4
170.11748	9.4
176.10625	0.6
184.13297	8.7
184.38547	0.4
201.15965	0.8
233.16496	0.9
298.40512	0.4
344.23343	0.9
345.21649	1.0
362.24332	100.0
363.24713	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	362.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88534	0.2
53.03912	0.3
55.01835	0.9
55.05495	0.3
64.54448	0.3
65.03905	0.3
67.05487	2.2
69.03378	0.8
69.07050	1.6
70.14819	0.2
70.62614	1.1
73.78115	0.2
79.05479	11.9
80.03606	0.3
81.03401	7.1
81.07000	1.1
83.04961	0.4
85.02877	0.3
91.05462	4.4
91.89117	0.3
93.03366	0.4
93.07029	3.6
95.01299	0.3
95.04954	5.6
97.06506	0.6
105.03316	0.3
105.07010	4.4
107.04893	0.6
107.08574	10.2
108.08914	0.3
109.06446	0.4
115.05385	0.3
117.07000	1.5
119.04951	0.4
119.08540	2.7
121.02835	2.6
121.06491	6.3
128.06093	0.7
129.06998	1.8
131.04857	0.7
131.08540	2.3
133.06439	1.3
133.10107	4.5
137.05898	0.5
141.06937	0.8
142.07678	0.5
143.07585	0.3
143.08534	4.0
145.06465	2.4
145.10107	2.4
147.04352	0.9
147.07988	1.0
149.05952	2.3
149.09718	0.3
151.07520	0.9
153.06865	0.3
155.08498	0.9
157.06474	0.5
157.10121	2.9
159.08040	3.5
159.11632	1.3
161.04581	0.5
161.05951	13.5
161.09589	20.6
162.09912	0.7
165.06895	0.4
167.07111	0.5
167.08514	3.9
169.10101	1.7
171.07988	1.6
173.09563	1.3
175.07458	0.9
177.09067	1.2
179.08534	0.4
181.10052	1.4
182.10837	0.6
183.07985	1.0
183.11603	0.7
185.09570	4.4
187.07480	0.4
187.11104	0.8
187.15924	0.3
189.09019	0.3
192.09268	0.8
193.10042	0.7
195.07973	1.1
196.08868	0.3
197.09543	0.8
197.13188	0.8
199.11162	0.6
203.10626	1.2
205.08540	1.1
206.97934	0.3
207.11620	2.2
209.09573	0.9
209.13257	0.7
210.10309	0.6
211.11142	2.6
217.10078	0.8
218.14996	0.3
219.11598	0.3
220.08675	0.5
225.12717	4.9
227.10501	0.3
227.14282	0.8
231.10170	1.1
235.11124	3.9
237.08992	0.8
237.12703	2.7
243.13713	0.4
249.11186	5.1
253.12195	5.7
255.13820	1.3
257.11447	0.3
263.10596	0.6
271.13229	12.5
272.13654	0.6
281.08780	0.4
281.11670	4.5
294.30347	0.3
295.11682	1.1
299.12741	17.1
300.13181	0.3
317.13770	100.0
318.14136	4.4
345.13409	1.7
362.15915	21.5
362.23251	0.9
363.16269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70207	1.1
53.03926	3.2
55.01851	4.7
55.05271	1.5
55.05502	20.0
57.02611	1.1
57.03193	1.2
57.03429	15.5
57.07056	2.3
65.03910	3.0
67.05495	90.7
68.81970	1.1
69.07058	21.6
70.06570	3.3
71.04980	20.2
71.08697	3.8
72.08097	1.2
73.02921	1.1
75.04500	1.4
79.05482	36.3
81.03368	1.4
81.07043	100.0
83.04955	3.4
83.08163	2.0
83.08606	18.6
84.08131	2.2
85.02879	3.2
85.06535	8.9
91.05463	23.3
93.07031	35.9
95.01286	2.8
95.04946	4.3
95.08592	92.4
96.08878	2.0
97.06496	8.0
97.10149	7.6
99.08074	2.9
103.05446	4.4
105.07018	15.7
107.04958	1.3
107.08575	27.9
109.06495	2.1
109.09403	2.7
109.10143	48.1
111.08064	7.6
115.04989	1.7
117.05473	8.6
117.06974	4.1
119.08563	14.2
121.06509	2.5
121.10125	34.4
123.08059	2.4
123.11693	16.6
125.09585	2.6
129.07011	2.4
129.09074	1.8
130.54169	1.1
131.04906	23.5
131.08548	15.3
132.05261	2.6
133.06549	1.2
133.10107	18.4
135.07983	1.7
135.11685	21.0
137.09581	6.2
137.13219	4.4
139.11165	1.7
143.08173	5.4
145.10097	10.5
147.11658	8.0
149.09642	1.8
149.13210	11.9
151.11142	8.0
153.12729	1.9
155.10628	1.8
159.11673	9.0
161.05940	2.6
161.13280	4.7
163.14871	1.4
165.12733	2.5
167.07016	4.0
173.13264	7.0
175.14735	1.3
177.12653	3.0
181.08572	4.5
181.12169	2.1
182.09013	1.6
187.14783	3.2
188.10670	12.0
189.09055	3.7
189.16325	1.9
191.17862	1.3
195.13762	2.5
202.12312	1.9
203.17899	2.4
209.15161	1.4
215.17889	22.1
221.18997	3.7
223.17058	1.5
232.46759	1.3
233.18967	22.1
239.07886	1.3
245.12737	1.5
249.18404	2.0
251.20039	21.2
269.21106	6.5
301.11832	3.0
307.22595	5.4
325.19946	2.3
325.23676	32.4
326.23700	1.7
343.24844	13.1
361.13153	1.4
361.22177	12.8
361.26379	3.6
361.31345	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	361.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.8
70.06585	3.7
71.33141	2.4
71.33465	2.7
72.08166	2.1
79.05490	8.0
84.08163	1.9
85.02876	2.8
86.09682	8.7
86.47289	2.0
90.03769	1.7
91.05466	5.5
93.07028	15.3
95.04961	3.8
95.53238	2.2
97.02888	2.6
117.46641	1.9
121.06507	24.3
123.04446	3.0
123.08031	6.6
137.05975	3.6
139.07512	15.5
149.05951	5.2
167.07018	100.0
168.07460	3.7
199.09627	23.3
200.09909	2.1
255.03014	3.8
264.03436	6.9
270.03387	2.8
287.03668	11.6
293.03653	3.6
297.03943	2.3
302.04050	12.7
314.04233	3.3
320.04114	2.5
369.87396	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	361.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67762	0.9
55.01870	2.0
56.05026	3.5
56.96557	30.4
57.03425	6.6
57.05366	1.1
58.09733	1.1
58.99847	6.9
61.02919	18.1
66.90630	0.9
69.03428	5.8
69.07063	1.1
70.06590	7.2
70.98112	6.3
70.99840	1.3
71.01337	1.4
71.69740	1.3
71.70132	1.7
71.95255	2.2
72.08147	6.7
73.02900	5.7
74.06065	3.0
74.97576	1.1
77.00906	5.8
81.03417	2.1
84.04478	2.6
84.08133	22.2
84.96013	3.7
85.01412	1.2
85.02905	10.6
86.09692	6.3
86.99310	1.8
87.04456	1.2
88.99158	5.2
91.02464	3.0
95.01946	2.2
97.02887	6.7
98.97572	20.5
99.02908	1.3
99.04452	1.9
101.00861	9.8
101.02402	1.2
103.02440	12.4
105.00368	1.6
107.00177	2.0
109.03503	2.9
110.97562	3.3
112.08749	1.3
113.00874	1.6
113.02364	1.3
113.03462	6.5
114.83948	1.2
115.02407	5.8
115.03925	2.6
116.07114	1.6
116.98602	15.3
117.01835	2.5
117.03988	35.4
117.04794	2.4
118.01059	1.7
118.04097	1.7
119.01908	65.0
120.00788	1.4
120.01962	2.1
121.01591	2.3
121.03499	6.9
124.95506	3.7
125.00836	1.0
126.00854	1.1
126.98753	5.2
127.01576	2.1
127.02417	7.3
127.03934	3.8
128.98607	5.8
129.01833	1.2
129.03970	4.3
129.10223	16.0
130.08661	1.5
131.01888	16.6
131.02754	1.4
132.00728	3.0
133.01746	2.2
133.03465	18.5
134.06042	1.3
134.99629	6.4
135.03291	1.9
135.05020	36.9
136.05173	1.6
136.07570	1.2
137.02937	22.0
139.01453	1.3
140.05472	1.6
141.01254	3.2
142.03548	1.2
142.96533	6.2
143.01845	8.4
144.99812	27.0
145.03450	100.0
146.03578	4.0
146.99632	10.5
147.01378	7.5
147.03133	1.4
147.05020	9.7
147.11267	1.9
148.02028	5.0
149.01161	1.7
149.02939	10.4
150.01776	4.0
150.02956	1.5
151.02489	1.4
151.04524	3.9
152.06998	6.2
155.01913	3.3
156.98094	1.9
157.02538	5.8
157.03493	5.0
158.99704	2.3
159.01428	4.5
159.05009	8.0
160.97592	6.4
161.01218	3.3
161.02946	17.7
162.99422	1.5
163.00861	6.8
163.03043	2.2
163.04506	44.3
164.04561	1.9
165.00728	10.2
165.02403	4.5
165.04150	1.0
165.06108	3.6
167.04012	2.5
167.08228	1.3
168.01480	1.5
168.05096	3.6
168.53319	1.3
168.99860	2.0
169.03522	5.0
169.09779	1.3
170.96016	2.2
170.99939	2.0
171.01375	12.3
171.04997	1.5
172.97598	3.4
172.99332	16.6
173.02919	12.4
174.99130	7.9
175.00829	2.9
175.03160	1.6
175.04462	8.5
177.00769	5.9
177.02464	11.3
177.06017	2.2
179.02269	1.8
179.04004	2.0
181.03778	1.3
181.09735	1.2
183.04929	1.2
184.01277	1.6
185.02934	14.7
186.99297	2.0
187.00877	8.7
187.02841	1.9
187.04439	7.5
188.97040	13.1
189.00722	3.6
189.02419	25.9
189.04181	1.7
190.98633	14.4
191.00374	15.7
191.02325	2.4
191.03995	14.3
193.00200	13.8
193.01802	1.9
193.05563	2.7
195.01434	21.9
195.03270	2.4
196.01268	3.3
196.99338	3.9
197.02954	2.4
199.00877	3.3
199.04514	5.1
201.00725	2.2
201.02390	3.9
202.98619	2.6
203.02301	1.6
203.04030	8.5
205.00154	7.7
205.01935	16.6
205.03723	2.2
206.02498	1.5
206.98158	6.2
207.01720	2.9
207.03520	9.1
208.99828	2.7
209.03201	2.0
209.05067	1.6
211.01021	4.2
212.02477	1.5
213.02414	63.1
214.02582	3.6
214.98558	2.2
215.00385	13.3
215.03952	3.4
217.00233	1.9
217.01988	4.2
217.05530	7.6
218.03679	1.3
219.01727	5.1
219.03473	6.4
220.99655	3.5
221.03276	2.4
221.05096	8.2
223.01094	7.1
223.03096	3.0
225.02498	1.6
226.02342	4.5
227.00504	1.6
227.03979	8.1
229.01950	4.6
230.98117	2.8
231.03513	21.4
232.03752	1.6
232.99527	7.1
233.01485	3.8
233.03337	2.0
233.05319	1.7
235.02893	4.9
235.53069	1.5
236.04095	5.1
237.02725	1.6
239.00380	16.7
241.01926	27.7
242.03798	2.1
242.99864	3.0
243.03572	2.3
244.99394	1.6
245.05092	17.5
247.03120	7.8
249.02501	7.2
249.04753	2.6
251.00623	8.9
251.02870	13.5
255.03522	4.8
257.01364	13.7
259.03040	11.2
261.04703	6.7
263.00574	3.4
264.03595	1.4
265.04068	2.8
266.99893	6.8
267.03470	8.5
269.01450	2.4
271.02988	5.3
273.01123	2.0
273.04575	8.7
275.02621	7.8
277.04187	1.3
279.05664	3.6
280.06146	1.3
281.01703	2.6
282.99512	1.7
285.00955	9.3
287.02417	3.6
287.05759	1.6
288.98624	2.9
289.04022	1.8
297.00989	2.2
299.02487	8.1
301.00464	34.9
301.03812	3.0
302.00754	2.2
315.01929	1.8
317.03531	5.1
319.01288	2.1
323.09790	1.9
328.99799	3.8
329.03522	9.1
333.02972	2.8
333.24664	1.5
343.11316	3.2
347.04712	1.5
361.02441	3.9
361.06366	2.2
361.21329	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.8
57.03416	7.9
59.04984	9.2
65.03927	7.2
67.05489	57.5
69.07054	29.7
70.06599	9.4
71.00229	20.7
71.04987	54.2
73.06555	10.6
75.46315	7.8
79.05486	67.7
81.07022	46.8
83.08602	21.1
91.05476	20.8
93.07021	69.0
95.04964	9.0
95.08584	31.0
97.06548	7.6
97.10155	27.4
105.07050	16.1
107.08572	39.0
109.06496	7.5
109.10119	47.3
117.07000	7.5
119.08537	17.3
121.10122	67.8
123.11571	7.8
125.09645	15.7
133.10100	12.9
153.12735	44.4
155.10674	16.2
170.89308	7.1
173.11697	100.0
189.11145	20.7
193.18137	6.4
207.60368	7.5
275.20065	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65134	4.9
55.05499	23.9
59.04974	5.9
67.05491	76.4
69.07044	15.5
69.84904	31.3
79.05473	12.2
81.07043	26.7
83.08607	20.4
91.05466	17.2
93.07030	15.6
95.08586	16.3
97.10146	20.0
105.07008	12.5
107.08575	29.6
109.10136	86.0
119.08553	8.4
121.10170	6.6
125.09606	23.0
133.10112	7.7
137.09573	6.1
141.53755	5.2
145.72632	5.0
147.11554	4.9
147.82674	5.6
149.09627	6.1
155.10648	20.3
159.11690	6.0
173.11726	100.0
187.13278	62.6
203.12788	23.4
206.67424	5.6
210.06261	5.2
235.75491	4.8
239.17926	6.8
257.18961	9.6
275.20035	25.2
289.21600	6.8
307.22739	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	360.2639
Annotation	Crambescidin 359
Peak:m/z	Relative Intensity
55.05488	0.6
57.07070	13.5
57.69056	0.4
58.06590	1.0
58.20390	0.4
69.03731	0.4
69.07061	0.9
70.06570	0.7
71.01131	1.0
71.06815	0.4
72.08149	4.2
74.06056	1.4
77.03945	0.5
77.65173	0.4
79.05479	0.5
79.86815	0.4
81.07050	0.9
84.08117	2.3
85.06535	4.9
86.09691	9.5
91.05471	0.9
97.06522	0.7
103.05453	13.1
105.03368	0.4
105.07029	0.8
112.11242	4.5
114.09123	1.5
119.08633	0.6
120.08079	0.7
129.13884	0.6
131.04906	100.0
132.05240	1.9
141.13846	1.2
142.12250	38.3
156.13826	5.7
173.13507	0.4
187.12245	1.0
188.10677	73.4
189.11023	1.5
202.12267	3.8
213.19664	0.5
228.61357	0.5
230.22272	0.7
259.18118	0.9
276.20834	0.4
320.33752	0.5
340.71417	0.4
342.25333	1.5
343.23764	2.6
360.26395	94.6
361.07040	1.7
361.26660	3.2
363.74713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
60.04514	0.4
61.02907	0.3
65.67397	0.2
69.03398	0.5
69.07049	0.3
70.06561	0.8
71.69662	0.4
74.06075	0.4
79.05473	1.6
84.04465	0.4
85.02882	0.8
86.09689	0.7
87.04442	0.4
87.10023	0.3
89.03362	0.5
89.03899	8.2
91.05460	0.6
91.90278	0.2
95.04935	0.5
97.02858	0.4
99.55024	0.3
107.04935	3.4
107.08559	0.6
109.42448	0.3
111.04426	0.4
114.75951	0.2
117.03358	10.0
127.03905	0.4
133.10094	0.6
133.47696	0.3
134.10472	0.3
135.04393	21.2
135.11658	0.4
136.04662	0.4
136.11992	0.5
137.05928	0.4
139.03880	0.7
145.02818	13.1
152.07039	2.3
163.03871	100.0
164.04233	1.8
179.10692	0.6
180.10947	0.6
181.04956	0.7
186.05446	0.5
197.11702	1.5
198.07593	2.6
198.12042	3.1
214.06958	0.4
359.30984	0.4
361.07181	0.4
361.14587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01863	0.8
55.05499	0.7
58.99564	1.8
59.04980	1.0
60.04503	0.8
64.05150	0.5
66.86835	0.5
67.05483	1.2
69.03410	1.3
69.07050	1.6
69.52459	0.5
70.06572	2.1
70.37801	1.2
70.38191	0.8
72.08143	6.3
76.02220	3.2
79.05480	3.2
79.57526	0.5
81.03421	0.8
81.07036	7.5
83.04961	3.3
84.04486	1.5
84.08121	1.9
85.02888	4.0
85.06480	0.6
85.99642	0.5
86.00627	2.8
86.09692	5.4
86.99021	0.9
91.05463	3.1
93.07021	5.0
95.04939	2.0
95.08578	0.9
97.02872	2.0
97.06536	1.0
100.80698	0.6
102.05510	0.7
105.00066	1.8
105.07001	2.0
107.04910	0.9
107.08568	1.9
108.52649	0.5
109.06509	2.7
110.07151	0.6
116.07137	0.6
117.00036	3.2
117.03339	1.1
118.08640	0.7
119.04920	1.8
119.08527	1.1
121.02813	1.9
121.06453	0.9
121.10126	1.0
122.02700	11.1
123.04337	0.8
124.02214	0.7
132.01155	5.8
133.06519	0.5
133.10112	1.3
135.04401	5.0
135.11719	3.5
137.05940	4.1
137.09557	1.1
144.10149	0.7
145.02834	1.4
145.06427	0.8
145.10080	1.8
147.04443	2.7
147.11661	2.0
149.09616	0.9
153.09074	0.8
156.13786	1.4
157.10080	1.2
160.08727	0.6
161.77202	0.6
163.03874	16.1
163.11176	2.2
165.05452	100.0
166.05783	3.0
175.11098	3.4
181.04941	4.2
191.10750	0.6
193.12215	2.0
195.02747	0.8
203.10646	1.7
215.13933	0.7
217.57956	0.5
221.11703	45.1
222.12048	2.2
223.13095	0.6
235.07376	0.6
236.72624	0.5
253.08307	0.5
254.21187	1.6
255.74026	0.5
256.03458	0.5
271.09879	0.6
273.03876	1.4
274.04187	0.8
276.04779	1.4
315.04883	0.6
334.11935	0.5
342.06091	0.7
342.13599	1.2
354.59042	0.5
360.07080	0.9
360.14761	1.8
360.32028	2.6
361.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.9
56.05035	0.9
69.07076	1.7
70.06586	3.8
71.70361	1.1
72.08145	100.0
73.08479	1.3
82.18630	0.6
83.06093	7.9
84.04487	9.4
84.08145	2.6
84.47326	0.7
85.02891	0.8
85.37886	0.7
85.92373	0.6
86.09693	93.5
87.10040	1.7
89.22887	0.7
91.05813	1.1
91.38190	0.6
91.68086	0.6
95.59782	0.8
101.07132	2.3
107.82006	0.7
110.07124	0.8
116.07069	1.8
118.08656	1.8
129.06581	1.4
129.10229	2.5
132.10188	8.2
135.04483	0.7
137.05980	2.4
138.09145	3.5
155.11774	0.9
157.13345	41.8
158.13737	1.6
163.03918	5.7
175.10768	36.5
176.11145	1.6
177.32863	0.8
182.12862	5.2
183.11281	7.6
185.12834	36.2
185.16486	2.6
186.13127	0.9
196.14349	0.8
197.12920	1.4
200.13989	3.6
208.09746	1.0
210.12433	2.1
211.04120	1.2
211.10693	1.0
213.16132	1.6
215.13885	0.8
228.13448	1.9
239.17625	2.3
273.03879	4.9
274.04214	5.6
275.04453	18.2
276.05191	0.8
284.19766	3.8
299.12958	0.9
330.42160	0.8
341.21704	4.2
342.06122	1.1
359.16711	1.4
359.26608	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	359.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12424	0.3
55.05500	6.0
56.05004	0.7
57.01917	0.4
57.05803	0.8
58.06584	0.4
60.04500	0.6
60.77087	0.4
69.03414	0.7
69.07055	7.7
70.06572	2.3
71.09215	1.0
72.08141	90.1
73.07841	0.5
73.08479	1.1
74.57185	0.4
81.03411	0.4
84.04463	0.9
84.08115	2.6
85.02908	1.1
85.08498	0.4
86.06055	0.5
86.09689	100.0
87.09486	0.3
87.09991	1.9
88.03954	0.8
97.72164	0.3
99.08045	0.4
100.07616	0.5
116.07101	0.7
117.03365	0.4
118.08604	0.4
121.19337	0.4
127.03850	0.4
129.10202	1.6
131.04915	0.9
135.04376	0.9
137.02312	3.1
137.05927	0.8
143.11769	13.5
145.02802	0.6
147.04262	0.4
147.07610	0.6
151.07390	0.4
156.13805	1.3
157.13336	20.6
158.13667	0.5
163.03880	3.6
165.05428	0.7
171.11264	8.7
175.10751	36.2
176.11101	0.8
177.09142	1.8
185.12827	32.3
185.16351	3.5
186.13173	1.0
195.02733	0.4
196.14351	0.4
199.18002	2.8
213.15952	1.6
221.11494	0.5
227.17444	1.2
239.17543	2.1
246.14473	3.4
247.12889	0.7
273.03784	1.7
274.04166	1.3
275.04425	3.9
276.04816	0.4
284.19589	3.0
341.21680	0.6
359.12601	0.6
359.16870	0.5
359.22534	0.6
359.26422	1.6
360.07324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	0.7
55.01851	0.9
55.05511	1.1
57.03430	2.4
59.04993	0.8
61.02915	2.2
63.02383	0.6
67.05487	1.4
69.03431	5.6
69.07051	2.0
70.06577	1.6
70.96326	1.4
71.04974	0.7
72.08136	0.9
74.06067	1.1
79.05473	2.5
81.03412	2.5
81.07069	1.4
84.08138	1.0
85.02894	21.7
85.06548	0.6
86.09692	13.7
87.04457	2.2
87.05581	1.7
88.04797	1.1
89.03910	7.1
91.03933	1.0
91.05464	4.0
93.07034	5.5
93.17654	0.5
95.04949	2.6
97.02879	5.9
98.02468	0.6
99.04424	1.3
103.05403	0.6
105.06999	5.8
107.04924	4.2
107.08582	16.5
109.02848	2.7
109.06507	1.3
109.10148	1.5
110.02382	0.8
116.07083	0.6
117.03362	11.0
118.96985	0.6
119.04848	1.2
119.08581	2.0
121.06459	1.7
123.04430	1.4
123.11701	0.8
126.03745	1.0
127.03914	4.8
128.10756	0.9
129.10208	0.8
129.11055	0.6
132.07967	0.6
133.10109	17.6
135.04396	22.4
135.08046	0.9
135.11668	18.4
136.12010	0.7
137.05980	3.1
137.09547	1.0
139.03781	0.7
141.10213	1.0
145.02829	12.7
145.03938	1.1
145.04930	2.2
145.06421	0.8
146.07274	0.7
147.04350	0.7
151.03810	0.6
151.11104	1.4
152.07106	3.1
155.11797	0.7
161.09592	9.8
163.03882	100.0
166.08643	0.8
167.07059	2.0
173.06041	0.6
179.10641	28.3
181.04930	1.5
182.15324	0.8
183.11235	1.2
195.06642	1.4
197.11700	79.3
198.07527	2.2
198.12070	2.4
200.13913	2.1
212.07375	4.1
212.09084	0.9
213.07697	9.0
217.08569	1.4
228.13345	3.0
231.06158	0.6
235.11757	0.7
246.14684	1.3
275.04263	1.3
338.12073	0.8
341.13870	0.7
359.16861	0.7
359.30942	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	359.1482
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03934	2.8
53.56288	2.3
55.01858	3.1
55.05490	4.5
57.03426	2.3
58.06586	2.2
60.79977	1.9
65.03912	7.3
67.05481	9.0
67.59542	2.2
69.07039	8.6
70.06557	4.2
71.04969	2.8
71.31281	5.1
72.08121	4.1
73.38616	2.3
74.01175	2.4
78.36809	2.0
79.05470	8.3
81.03404	3.8
81.07032	9.1
83.08601	3.7
84.08129	4.5
85.02878	3.6
85.06535	1.9
86.09724	2.6
91.05457	9.9
93.07021	9.5
93.30805	1.9
95.04941	4.3
95.08595	6.3
97.06501	3.7
97.10159	2.6
99.08086	5.4
105.06989	5.5
107.04932	5.8
107.08589	4.6
108.61503	2.5
109.02852	4.8
109.10133	3.7
110.03640	4.1
111.04411	6.2
111.08097	2.3
119.08564	3.5
121.02865	12.7
121.06509	4.2
121.10122	6.4
123.04414	3.6
123.08028	3.3
125.05960	5.2
126.09107	3.6
129.06969	3.8
130.21103	2.3
131.04944	3.9
131.08536	3.9
133.10088	4.8
135.08000	5.0
135.11678	5.0
137.05957	6.7
137.09624	3.5
144.05640	3.0
145.06477	6.1
145.10106	2.8
147.04326	2.4
147.07999	2.6
147.11670	3.8
149.02280	2.7
152.06174	3.4
153.05460	6.8
153.07018	2.2
154.12234	3.7
156.05516	2.0
156.13782	13.6
157.14125	7.3
159.08029	9.8
159.25014	2.3
161.05975	4.4
161.09662	2.8
165.06902	4.5
167.07007	11.9
167.08484	5.3
171.06479	3.1
172.13264	5.3
173.09538	2.7
173.13612	3.6
175.07523	3.2
179.08435	4.4
181.04927	26.6
181.06491	7.9
182.07257	3.8
183.08046	3.0
184.08795	3.2
191.08568	2.2
191.52679	2.0
194.07195	4.5
195.08017	14.1
196.08742	2.6
197.05920	6.3
197.09581	5.2
206.07173	3.4
207.08070	7.4
209.05981	4.2
209.09555	4.3
210.06718	8.1
211.07559	7.0
212.08397	5.6
219.08084	2.9
220.08629	2.8
221.06085	2.7
221.09615	10.6
222.06628	2.4
223.07570	11.4
223.11069	2.3
224.08215	8.9
225.08977	10.5
227.07030	4.7
227.10684	2.6
235.07471	4.9
237.05460	3.1
237.09027	11.4
238.06172	5.1
238.09785	12.3
239.07042	8.4
240.07771	15.1
249.09084	7.8
249.18529	3.8
250.09889	5.9
251.06982	7.2
251.47202	2.5
252.07822	7.2
253.08595	33.3
253.12213	10.4
254.09373	6.9
255.06487	9.1
255.10185	7.8
257.08035	8.6
265.08624	6.4
266.09354	9.2
267.10101	9.6
268.07294	9.3
269.08038	15.8
270.08774	4.7
279.06326	2.3
281.08408	11.8
281.11337	12.1
282.12408	3.4
283.06027	7.2
283.09613	21.8
284.10260	4.5
285.07648	4.4
285.11057	4.2
295.09628	3.6
297.07520	7.2
297.10989	3.1
298.08347	10.0
298.11462	3.0
299.12686	11.2
300.09857	23.2
309.11163	9.3
310.12012	3.5
311.09171	4.2
313.10651	100.0
313.14310	64.0
314.10849	3.5
326.11481	4.6
327.12167	48.3
328.12711	4.5
331.15256	26.5
341.13797	50.8
341.23029	2.9
342.14346	2.7
358.30560	6.9
359.10437	4.7
359.14832	87.9
359.24344	3.0
359.31009	23.7
360.15192	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	358.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98523	2.1
55.01856	10.6
55.05508	30.9
57.07064	6.9
60.36597	2.2
65.53241	2.2
67.05498	22.1
69.07051	11.5
69.90953	16.1
70.06575	6.4
71.04978	4.4
71.08607	7.8
75.92220	2.3
79.05476	16.3
81.03397	8.2
81.07043	29.8
83.04988	2.5
83.08614	33.3
85.10155	8.0
87.06866	2.3
88.07618	6.6
89.04441	2.4
91.04793	2.8
91.05467	14.8
93.07035	19.6
95.04948	7.8
95.08584	18.4
97.06516	10.4
99.08081	6.2
105.07045	11.1
106.08655	2.8
107.08569	10.4
109.06484	3.6
109.10117	9.0
111.08054	20.0
113.09613	17.2
115.11182	8.7
119.08558	7.9
121.10109	8.0
123.08066	3.3
133.10106	11.1
135.11691	6.9
145.10107	3.7
147.11678	7.6
149.09573	6.9
149.13216	4.8
151.11157	7.2
153.12785	3.1
156.13847	2.9
159.11734	3.5
161.13182	6.0
163.11188	3.7
165.12727	19.8
167.14229	3.8
171.11702	3.1
193.12297	2.5
203.53743	2.8
218.70148	2.4
221.60043	3.2
231.20972	3.3
249.22084	6.7
259.20450	8.5
277.21606	100.0
295.22662	7.0
302.52469	2.9
309.24197	30.5
337.85358	2.9
358.36798	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
58.06586	3.6
66.96655	0.5
69.07056	11.9
69.67101	3.3
69.67500	0.8
71.08246	0.8
71.08621	11.0
72.08141	7.4
73.06518	1.5
79.05484	1.1
84.04483	0.6
84.08124	2.2
96.08086	0.6
97.06505	3.4
98.06032	2.2
98.09660	0.8
99.07429	1.1
99.08076	20.7
112.11221	3.6
114.09100	0.5
115.07554	7.1
116.92781	0.5
121.52711	0.6
126.09151	2.8
128.10689	2.1
129.13850	0.6
154.12253	3.1
155.15408	1.0
156.13814	100.0
157.14142	2.3
168.13838	3.6
170.15350	3.4
171.14922	1.0
172.13304	32.0
173.13754	1.0
178.19933	0.5
186.14841	6.1
227.21117	1.9
243.20633	1.1
244.23854	1.2
259.13513	0.5
260.23410	1.0
340.29507	3.4
341.28098	2.2
358.30585	76.5
359.30865	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	358.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05495	2.0
55.16322	0.5
56.04998	0.7
58.06590	5.4
67.05478	1.1
69.03403	1.0
69.07049	1.3
70.06585	4.9
70.10155	3.5
71.08250	0.9
71.08620	12.8
71.61610	0.5
72.08147	7.0
74.06066	4.2
79.05461	1.9
81.07031	1.6
84.04481	1.0
84.08127	5.3
85.06523	0.9
86.06026	1.3
86.09693	15.0
87.04445	3.2
87.05564	1.3
87.28730	0.6
91.05453	1.4
93.07035	1.1
95.08562	1.0
96.04451	0.7
96.08107	1.1
97.06549	0.7
97.10155	1.3
98.02390	1.1
98.06030	5.3
98.50055	0.5
99.08081	22.7
105.07019	1.4
107.08561	1.4
110.02344	0.6
111.08084	0.9
112.07568	1.0
112.11226	3.8
113.10736	0.9
114.05500	0.9
115.03891	2.9
116.07007	0.7
119.04962	0.7
119.08560	0.8
125.09594	1.4
126.05486	3.9
126.09128	2.3
128.10706	8.6
129.10211	0.6
131.04861	0.8
132.10216	0.6
137.05956	7.4
138.06337	0.6
138.09128	1.2
140.10660	1.8
141.10197	2.1
142.12254	3.3
145.06378	0.7
149.05994	1.1
151.03902	0.7
151.07530	1.0
153.05391	0.6
154.08603	5.1
154.12210	1.0
155.11731	2.8
155.15349	1.1
156.13814	100.0
157.14183	1.9
161.05948	1.8
162.06752	0.6
167.07120	1.4
168.10216	1.7
168.13654	0.7
170.15382	3.1
171.11307	0.9
172.09659	15.4
172.13261	1.4
173.05963	0.6
175.07556	1.2
177.05432	0.8
179.07057	1.1
182.15387	3.7
183.11264	1.9
186.11264	3.5
186.14809	1.4
191.08606	1.1
197.11740	1.2
199.18080	0.6
200.13914	10.5
200.16426	8.2
212.07373	3.7
219.07965	0.7
223.37299	0.6
227.21155	2.0
228.13394	3.2
234.99174	1.0
235.07457	0.7
243.16994	1.7
244.23784	1.8
265.08548	1.3
273.03879	2.0
274.04199	6.4
279.09946	0.7
281.07785	0.8
309.11166	0.7
311.12796	1.2
313.07050	0.6
325.17435	0.7
330.13879	0.7
340.26010	3.5
340.29526	1.1
341.13998	1.0
341.24423	2.0
358.26935	96.9
358.30713	23.9
359.27200	5.9
359.31027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07684	9.1
55.05501	80.6
67.05486	58.6
69.03399	20.9
69.07046	35.1
70.36719	9.2
71.04984	16.7
71.71725	14.9
78.66205	10.7
79.05487	100.0
81.03403	29.1
81.07041	62.6
83.08605	31.7
88.07616	19.3
91.05479	36.7
93.07035	96.7
95.04948	15.1
95.08603	47.3
95.12807	10.6
97.06517	12.3
97.10140	57.6
98.91900	9.1
105.07030	37.3
107.04942	16.6
107.08574	47.1
109.06461	17.0
109.10112	15.7
111.08014	12.4
113.06034	13.4
117.07013	25.0
119.08558	25.5
121.06531	14.7
121.10157	47.5
123.08083	25.3
125.09592	59.4
131.08609	12.7
133.10069	18.0
135.08041	28.4
135.11676	28.5
145.10086	18.1
147.08041	12.7
149.13083	9.7
156.13834	17.3
159.11650	19.1
161.09576	18.1
177.12746	14.9
187.11319	12.6
203.12752	39.6
207.32072	10.0
222.91792	10.2
237.14647	17.1
278.65207	10.9
289.42444	11.0
291.19650	10.2
305.21097	17.5
322.23697	15.7
340.24863	19.5
358.26050	21.4
358.30762	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71079	6.0
55.05500	18.4
56.96546	6.9
57.03420	17.9
65.03950	6.4
67.05499	62.2
69.03431	7.1
69.07061	89.9
71.04987	38.4
77.78276	6.1
79.05489	64.0
81.03409	33.5
81.03819	6.0
81.07057	73.3
83.04967	13.0
83.08623	9.9
83.66297	6.5
85.06519	8.7
91.05458	32.2
93.07040	53.3
95.04944	36.3
95.08594	35.9
97.06517	100.0
99.08085	14.8
105.07014	39.3
107.04969	9.8
107.08590	28.2
108.81904	6.2
109.06502	19.5
109.10167	11.0
111.07996	6.6
112.05141	5.6
113.06026	7.8
115.07561	29.5
117.07015	27.2
119.08567	33.0
121.06495	8.6
121.10135	25.9
123.08074	7.5
129.06992	13.0
131.08580	23.9
133.10123	23.5
135.08015	15.0
135.11674	14.6
145.10135	22.0
147.11743	7.0
149.09641	13.2
149.13246	10.1
156.13826	6.4
159.11659	18.7
161.09578	10.4
163.11183	10.5
171.11661	10.5
173.13248	8.7
177.12773	12.8
188.59465	6.1
207.29588	5.5
237.14827	10.5
273.18506	11.4
334.11505	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	358.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19223	2.6
52.70459	2.7
55.01848	4.1
55.05502	8.9
57.03409	13.0
57.07066	3.3
57.36674	3.0
59.04958	3.0
61.24629	2.6
67.05485	30.2
69.03425	3.5
69.07059	47.9
69.41158	17.3
69.41594	14.0
71.04975	14.0
78.80147	2.9
79.05478	40.0
81.03384	9.6
81.07049	30.9
83.04952	9.4
83.08606	3.8
85.06496	5.0
91.05461	21.6
93.07040	31.1
95.04945	17.3
95.08584	19.2
97.06515	100.0
97.10131	3.1
99.08091	5.4
105.07022	21.5
107.04967	3.1
107.08568	21.6
109.06483	8.7
109.10141	7.1
115.07565	20.7
117.07009	12.9
119.08560	13.0
121.06468	3.1
121.10117	10.5
123.08047	4.3
129.06911	4.5
131.08527	12.6
133.10117	17.0
135.07983	9.5
135.11636	9.2
137.09584	3.4
143.08507	7.1
144.99191	2.7
145.10060	8.0
147.08040	5.2
147.11624	5.2
149.13220	7.2
151.11143	7.1
154.07794	2.6
154.66664	3.0
157.10135	4.5
159.11664	9.7
161.13158	3.3
164.20885	2.7
171.11642	8.0
173.13249	4.5
177.12787	3.5
185.13196	4.3
187.11270	4.7
199.14761	3.4
217.15756	4.6
273.18304	4.3
291.19601	3.0
366.30280	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	358.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.9
55.05505	66.6
56.96555	7.0
57.03433	8.7
61.91481	6.1
65.03915	7.0
67.05495	86.0
69.03435	10.1
69.07062	33.6
71.04992	10.9
79.05473	62.4
79.65055	6.2
81.03404	18.8
81.07046	100.0
83.04982	19.6
83.08609	45.7
83.91438	5.9
85.02916	8.4
85.06543	13.6
87.04456	17.8
91.05473	60.5
93.07027	82.7
95.04948	35.5
95.08601	69.3
97.06520	12.6
97.10162	11.5
99.08040	12.4
100.96130	6.3
105.07026	34.6
107.04984	11.6
107.08563	35.4
109.06502	17.0
109.10136	34.5
110.98158	6.1
111.04416	7.8
111.08070	37.5
114.35374	6.7
117.06986	11.3
119.08565	32.5
121.06500	7.4
121.10141	47.7
123.08047	17.1
125.09624	14.3
131.08546	26.8
133.10100	40.0
135.08014	13.4
135.11702	21.5
135.80232	5.7
137.09641	19.7
139.11177	15.9
143.08585	6.0
145.10103	16.9
147.08060	11.0
147.11653	11.6
149.09581	31.2
151.11203	11.1
157.10126	8.8
159.11731	7.4
161.09587	16.6
163.11182	11.7
167.10693	9.4
173.11752	22.4
175.11110	8.0
179.10663	11.2
181.12276	9.9
193.12247	12.8
193.83104	8.2
197.11749	7.5
209.11697	7.2
277.13666	9.7
291.19623	9.3
337.76904	6.4
358.16479	15.5
358.20599	7.1
358.29596	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	358.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	12.2
55.01847	16.2
55.05497	64.7
57.03419	18.4
59.05006	6.9
67.05494	100.0
69.03404	10.3
69.07047	48.9
71.04984	18.0
76.61156	8.4
79.05482	80.7
81.03394	16.3
81.07045	95.9
83.04943	22.0
83.08612	45.2
85.06516	8.4
87.04438	27.7
91.05454	73.9
93.07030	81.7
95.04941	35.3
95.08580	65.8
97.06526	10.8
97.10134	24.5
105.07003	36.2
107.04934	8.6
107.08588	55.8
109.06523	13.4
109.10118	26.9
111.08057	28.0
116.98576	7.2
117.06968	18.4
119.08573	34.7
121.10114	52.2
123.08033	21.6
123.11644	7.1
125.09574	13.7
128.06133	7.4
128.42912	8.0
128.48810	7.6
131.08548	11.5
133.10121	37.6
135.08035	15.1
135.11639	7.9
137.09616	14.3
139.11142	23.6
143.08510	12.1
145.10048	14.9
146.21632	7.6
149.01131	16.2
149.09608	26.5
149.13339	10.7
151.11113	13.5
159.28842	7.8
161.09583	19.2
163.11180	12.7
167.10631	12.6
173.11671	22.8
179.10646	18.0
181.12265	9.3
193.12204	11.7
197.11777	9.8
277.13754	14.5
358.16379	20.4
358.29507	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	358.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.2
55.01836	0.5
55.05465	0.8
55.99304	0.2
56.05013	0.4
57.03389	0.2
57.07035	0.3
58.06549	0.4
67.05469	0.5
68.29414	0.2
69.03407	1.2
69.07043	0.5
70.06571	1.3
71.04956	0.6
71.70494	0.4
72.08149	1.1
74.00645	0.3
74.06068	7.6
76.03952	0.5
78.59309	0.2
79.05440	0.7
80.04965	0.6
81.06996	0.6
82.06560	0.3
83.04952	0.3
83.08554	0.7
84.04436	0.9
84.08128	1.3
85.02891	1.2
85.04018	1.1
85.06488	0.2
86.06049	1.8
86.09692	1.4
87.04455	19.2
88.04772	0.3
91.05417	0.7
92.01637	0.3
93.05240	0.3
93.05769	3.9
93.06998	0.5
94.06552	1.3
95.04911	0.3
97.02832	0.4
97.10155	1.2
98.00587	0.5
98.05997	0.7
99.02625	0.9
100.07547	0.3
105.03344	0.3
105.06983	0.6
106.06499	0.9
107.07337	1.2
107.08578	1.7
109.02808	0.4
109.10107	0.2
110.05952	0.4
112.07619	1.1
112.08266	0.2
112.11183	0.5
115.05354	0.3
116.07038	0.2
117.06968	0.2
118.06506	0.3
119.08529	0.3
120.08047	0.9
121.06415	0.2
124.02128	0.2
125.02892	0.5
125.09599	1.2
125.10431	0.2
126.03725	14.4
127.02094	0.5
127.03915	0.8
128.10709	2.7
129.10211	0.3
130.04950	0.7
131.04521	0.5
132.08067	3.1
133.08820	2.8
133.10062	1.4
134.09570	1.0
135.04378	0.6
135.11723	1.1
136.07597	0.2
137.05946	0.5
138.03743	1.7
140.05231	0.4
142.12274	1.7
144.05701	0.2
145.04951	0.3
148.07555	0.3
150.09111	1.0
154.12222	0.4
156.13777	0.5
160.07581	2.2
161.08311	3.6
161.09593	0.7
162.09096	0.4
163.03885	1.6
164.07011	0.8
164.10675	0.4
166.06844	12.5
167.07083	0.6
168.04749	0.9
168.13815	0.3
176.05322	1.3
177.03308	2.0
178.08568	0.6
179.09351	2.3
179.10690	2.0
180.10168	5.1
182.11757	1.1
182.15372	2.7
184.07889	1.9
186.14835	0.5
194.06334	17.3
195.06656	0.4
197.11699	5.7
200.16426	6.7
212.07373	100.0
213.07703	2.6
214.09039	0.4
228.08958	0.3
246.04800	0.3
255.11577	0.5
273.04019	1.8
274.04257	5.6
288.05933	0.3
312.05740	0.4
318.98880	0.3
322.23843	0.3
340.05267	0.5
340.25104	0.6
340.29385	0.3
341.28171	0.2
358.06458	0.4
358.14261	2.3
358.26501	0.5
358.30624	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	357.2992
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03927	3.7
55.05503	71.2
56.05833	3.0
57.03426	16.9
57.07067	44.6
57.34026	2.8
67.05137	5.1
67.05492	82.4
67.27354	2.6
68.06554	3.5
69.07057	96.6
70.40211	3.1
71.04969	4.0
71.08618	29.7
72.15402	3.0
73.06532	3.1
79.05479	56.1
81.07047	100.0
83.04987	6.4
83.08607	72.3
85.06535	8.0
85.10168	15.8
91.05435	6.3
93.07033	74.0
93.07591	6.0
95.08591	85.0
97.06512	33.8
97.10153	45.2
98.21455	7.1
99.08101	4.0
99.80807	3.5
103.03912	5.0
107.08576	53.0
109.10136	44.5
111.08038	13.8
111.11700	13.7
115.07605	3.1
121.10123	98.5
123.11692	17.3
125.09617	8.9
129.05501	4.7
134.99422	2.7
135.11676	66.4
137.13242	6.6
139.11165	8.3
143.14362	2.8
145.09444	3.0
149.13248	34.0
151.14761	7.4
153.12741	5.3
157.40439	2.7
163.14825	12.7
165.16347	13.9
177.16382	9.1
191.17923	6.9
234.78600	3.0
247.24188	65.2
265.25241	51.8
273.03876	9.6
339.28860	39.2
357.29953	12.4
358.30679	4.8
358.36749	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	358.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	1.0
55.05472	1.0
58.06550	0.7
62.44359	0.4
67.05472	0.8
67.31667	0.4
69.03372	1.7
69.07008	0.9
70.06541	1.5
70.56015	1.5
70.56377	0.7
71.63908	0.4
72.08106	1.1
74.06070	6.5
76.03964	0.8
79.05451	0.9
80.04967	1.0
81.03349	0.4
81.07024	0.9
83.08585	0.8
84.04459	0.6
84.08099	1.1
85.02851	1.8
85.03989	1.0
86.06009	1.7
86.09656	1.6
87.04455	18.0
91.05437	0.6
93.05772	4.7
93.07026	0.9
94.06519	1.1
97.02832	0.6
97.10192	2.1
98.00626	0.6
98.06009	1.6
99.02662	1.0
105.06932	0.5
106.06510	1.1
107.07287	0.7
107.08545	1.7
110.05993	0.5
112.07549	1.8
112.11192	1.0
114.09109	0.4
116.06999	0.6
117.07000	0.5
118.06527	0.6
119.08546	0.4
120.08053	0.9
121.02875	0.5
123.04367	0.4
125.02972	0.4
125.09564	1.7
126.03727	16.0
127.02091	0.5
127.03958	0.6
128.10696	6.4
130.04944	0.7
131.04468	0.6
132.08052	4.1
133.08807	2.8
133.10077	1.4
134.09616	1.6
135.04312	0.6
135.11656	1.6
136.07536	0.6
137.05930	0.6
138.03696	1.2
142.12244	2.4
145.02841	0.5
150.09030	0.6
154.12299	0.7
156.13824	1.0
160.07556	2.6
161.08318	3.6
161.09552	0.8
162.09125	0.7
163.03879	2.3
166.06844	12.8
167.07031	0.5
168.04793	0.9
168.13956	0.5
172.39272	0.4
173.16170	0.4
176.05266	1.8
177.03313	1.5
178.08659	0.5
179.09273	2.3
179.10719	2.3
180.10175	4.3
182.11740	1.0
182.15381	3.9
184.07907	2.0
186.14836	0.6
194.06329	16.6
197.11717	7.1
199.17923	0.6
200.16446	9.4
212.07375	100.0
213.07729	2.4
214.08952	0.6
227.03494	0.4
273.03925	1.6
274.04248	5.8
279.10162	0.5
312.05557	0.6
340.05255	0.5
340.25024	0.7
340.29416	0.8
341.28006	0.5
358.06628	0.7
358.14172	1.1
358.26724	0.6
358.30634	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	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03932	3.4
55.05236	3.5
55.05500	68.1
57.03411	11.8
57.06802	2.9
57.07065	43.6
63.34969	2.4
65.03941	2.8
67.05494	84.8
69.07056	100.0
69.37952	20.2
69.38379	13.5
71.08231	4.1
71.08612	28.9
75.04480	4.9
78.32462	2.6
79.05478	54.4
81.07042	91.5
83.08601	68.8
85.06516	5.8
85.10168	15.2
91.05458	7.8
93.07030	63.6
95.08590	80.8
97.06512	39.1
97.10140	40.6
98.20667	5.8
99.08085	3.4
103.03928	6.0
107.08579	45.2
109.10145	47.3
111.08047	10.2
111.11709	12.7
116.63360	2.6
121.10115	93.7
122.10415	3.3
123.11715	16.3
125.09602	10.1
125.13187	3.4
125.56064	2.6
135.06404	2.7
135.11665	76.1
137.13232	7.9
139.11188	5.3
149.13239	30.9
151.14781	10.0
153.12697	5.2
163.14729	13.7
165.16388	8.6
165.50391	2.8
169.15820	3.2
171.25868	2.6
174.65724	2.6
177.16397	4.6
191.17871	4.9
195.17451	3.2
247.24173	76.9
248.24524	4.0
256.28992	2.7
258.78293	2.5
261.40802	2.8
265.22565	4.8
265.25235	63.9
266.25479	5.2
273.03940	2.8
283.26404	6.4
339.28876	46.1
340.29459	4.3
357.29950	8.7
357.35507	6.1
358.36499	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	357.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.3
56.05823	1.6
57.03419	4.2
57.06834	1.3
57.07064	15.1
67.05494	23.6
69.06697	2.0
69.07056	32.4
70.06583	10.5
71.06883	2.0
71.08621	7.0
74.33726	1.0
79.05481	16.0
81.07040	29.8
83.04971	1.5
83.08170	2.2
83.08611	26.0
84.08923	1.8
85.06508	1.4
85.10151	4.8
88.07615	14.9
89.07958	3.1
91.05445	2.6
93.07039	21.5
95.08590	27.6
97.06528	10.8
97.10158	16.9
99.08054	1.3
101.31851	1.2
102.09150	3.8
103.03918	2.2
105.07016	2.3
105.36591	1.4
106.08643	8.1
107.08532	13.0
109.10137	15.0
111.08038	3.4
111.11686	5.0
121.10131	29.6
122.10416	1.8
123.11678	5.4
124.84248	1.2
125.09595	2.9
125.13291	1.4
135.11671	20.5
137.13266	2.5
137.63515	1.0
139.11159	2.7
149.13254	10.3
151.14769	2.0
163.14813	5.5
163.16034	1.2
165.16368	2.4
167.43826	1.1
177.16402	1.8
195.17516	1.2
205.19408	1.3
244.38524	1.5
247.24176	20.3
265.25250	19.9
273.03903	1.6
278.16052	1.2
283.26108	2.4
293.30460	1.3
335.20660	3.6
339.28989	13.6
339.34277	9.8
341.91037	1.3
357.26022	3.5
357.30463	3.2
357.35495	100.0
358.35992	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	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03938	3.0
55.01868	18.3
55.05481	5.7
57.03414	6.5
59.09960	2.0
65.03925	5.4
67.05492	15.5
69.03413	3.6
69.07047	4.8
70.06573	10.6
71.04984	2.8
71.08594	4.6
71.70066	3.1
72.08142	16.5
73.08458	4.0
79.05475	17.1
81.03399	2.8
81.07043	27.0
81.70281	2.1
83.04942	3.1
83.08601	3.4
83.17216	2.1
84.04509	2.8
84.08166	2.4
85.02907	2.3
86.09689	4.9
89.03909	2.2
91.05402	16.2
93.07034	13.8
94.04175	4.8
95.04938	7.1
95.08589	16.7
97.02875	5.0
97.06499	4.5
99.08060	10.3
100.08369	3.3
103.05427	5.6
105.03385	4.5
105.07018	16.4
107.04925	8.5
107.08562	6.6
109.02827	3.3
109.06511	6.0
109.10119	8.0
111.04429	8.4
115.05429	8.7
117.03347	2.5
117.06985	5.8
119.04946	5.3
119.08554	3.0
121.02853	4.0
121.06486	6.9
121.10088	5.7
122.03615	12.7
123.04423	3.1
123.08058	3.3
125.05945	3.7
129.06975	4.6
131.04916	11.2
131.08530	5.6
133.02783	4.2
133.06487	4.9
133.10092	3.7
135.04391	3.0
135.08034	3.3
135.11694	3.3
137.05956	100.0
138.06265	3.1
143.04938	5.9
144.05658	3.1
145.02776	2.3
145.06438	5.4
145.10136	6.2
146.03616	4.6
147.04352	9.2
149.05920	8.7
149.09590	5.7
149.13208	3.2
151.03868	10.4
151.04950	2.9
153.05426	8.9
153.06996	3.1
153.09100	2.6
155.04890	3.1
156.13811	45.8
157.14174	28.1
160.05133	4.7
161.05937	17.7
162.06744	3.4
163.07471	3.5
165.05434	23.7
165.06969	6.1
167.07010	8.1
171.04387	7.1
172.03851	2.9
172.05150	6.0
173.05986	4.6
175.07524	14.8
177.05431	18.0
178.07719	5.4
179.08582	4.4
183.04410	6.3
183.11710	3.3
185.05974	5.6
187.07547	7.2
187.14787	4.2
189.07001	6.2
190.07730	8.9
191.06956	5.0
191.08531	8.7
199.03909	2.6
200.04471	3.1
202.07695	3.3
203.06978	31.6
203.08617	3.8
205.06516	5.6
205.08479	3.0
206.07257	3.2
207.08000	7.3
208.08813	3.3
210.06819	2.7
211.07500	3.0
211.14832	5.2
215.06961	15.9
217.06596	4.7
218.07205	17.6
219.07970	21.3
220.08612	3.0
221.05974	5.6
223.07465	4.6
225.09117	3.9
227.21109	3.5
228.21449	2.8
229.06441	3.7
233.05980	3.0
234.06804	9.1
235.07515	15.3
236.08299	6.7
237.09082	5.6
237.18567	2.9
239.07007	5.3
241.08617	2.8
244.23778	11.1
245.06093	3.1
245.24132	17.1
246.06725	9.9
247.07471	23.1
247.16920	5.2
248.08105	7.0
249.05437	4.5
249.08958	12.2
251.06898	4.7
251.10625	2.8
253.08612	5.4
257.05917	3.4
261.09119	18.9
262.06238	3.5
263.07025	15.2
264.07773	10.6
265.08569	6.0
267.10052	6.9
269.11157	2.7
273.03888	96.7
274.06213	8.0
275.06958	10.6
276.07825	3.2
277.08633	18.0
278.09680	4.5
279.06689	2.3
279.10147	11.9
281.08151	3.7
281.11633	2.7
289.08524	19.8
290.09219	4.3
292.07178	6.3
293.08246	3.6
293.11667	3.3
294.08798	7.2
295.09610	8.9
297.11142	4.8
306.08722	8.5
307.09561	52.7
308.10284	2.7
309.07809	4.2
309.11032	19.0
312.10083	2.8
313.10638	5.1
321.11108	31.1
321.24179	2.8
322.11630	2.8
325.10641	14.7
327.12164	20.3
329.13977	3.1
339.12189	18.5
339.21533	5.0
356.28836	4.4
357.06247	5.6
357.13455	42.1
357.22504	10.9
357.29312	35.9
358.30829	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03948	1.7
55.01860	18.2
55.05499	2.8
57.72150	1.6
65.03924	4.4
67.05499	5.2
69.03442	2.1
69.07044	2.8
69.48705	15.7
70.06586	5.3
70.65350	1.5
71.95755	1.6
79.05492	4.4
81.03349	2.0
81.07046	7.2
85.02934	1.8
91.05466	7.4
93.07025	4.1
94.04161	6.2
95.04956	3.0
95.08576	2.8
96.16332	1.5
103.05449	6.4
105.07005	6.0
107.04971	3.3
107.08582	2.8
109.02853	2.1
109.06511	5.2
109.10124	2.8
111.04420	4.8
113.09641	1.9
115.05432	7.2
117.03381	2.0
119.08613	1.9
121.06475	3.5
122.03619	14.5
123.04407	1.7
125.05985	3.9
130.04173	2.0
131.04906	9.4
131.08604	1.6
133.06444	3.4
133.10051	1.9
135.30412	1.7
137.05951	100.0
138.06332	2.2
143.04892	4.5
144.05637	2.5
145.02809	2.8
145.06487	2.8
146.03621	5.1
147.04416	7.1
149.05949	5.7
151.03877	6.2
153.05482	3.8
153.06895	1.5
155.04886	3.9
156.13803	7.4
157.14182	2.4
159.08095	2.3
160.05235	3.2
161.05960	19.2
162.06679	5.0
163.07561	2.3
165.05478	32.3
165.06966	4.5
167.06934	4.0
170.15285	1.8
171.04385	3.3
172.05142	1.9
173.06012	1.9
175.07518	8.8
177.05470	12.7
178.07777	3.6
179.08548	4.6
183.04395	2.4
187.07573	5.0
189.06992	7.1
190.07716	10.1
191.08530	14.1
194.07277	3.1
195.08067	2.7
197.06082	1.7
201.06961	2.2
202.07777	4.6
203.06883	7.9
203.08655	3.4
204.06635	1.9
205.06468	6.0
206.07333	3.7
207.08023	10.7
208.08842	2.6
211.07755	2.2
215.06905	7.8
217.06477	2.4
218.07234	19.5
219.08026	32.0
220.08664	4.6
221.05995	4.9
221.09547	2.6
222.06699	1.9
223.07422	3.3
224.08366	3.0
229.06335	7.8
231.08060	3.1
233.05887	1.8
233.09627	3.0
234.06728	9.0
235.07491	19.5
236.08257	9.1
237.09106	4.0
245.05966	4.8
246.06750	15.8
247.07501	26.6
248.08235	6.4
249.05531	2.7
249.09102	11.0
250.06197	2.8
251.07047	4.0
251.10684	4.0
252.07924	1.6
253.08342	4.0
257.05942	7.9
258.06686	2.2
259.07397	3.8
259.11111	1.8
261.09073	26.9
262.06238	2.4
262.09546	2.5
263.07031	17.2
264.07739	15.4
265.08517	7.8
266.09177	1.6
267.10214	3.4
269.07925	3.2
273.03867	23.9
274.06372	14.3
275.07050	11.6
276.07767	3.4
277.08545	23.3
278.09302	9.7
279.07184	3.1
279.10025	13.9
280.07050	1.7
280.10760	2.7
281.07980	3.1
283.09732	2.5
284.10626	2.5
289.08542	45.0
290.09186	8.9
291.06458	5.6
291.09537	1.7
292.07190	7.4
293.08002	5.2
293.11526	3.6
294.05856	1.7
294.08780	5.2
295.09616	7.3
297.11221	3.7
306.08786	9.9
307.06012	3.6
307.09583	66.8
308.10034	5.6
309.07718	2.8
309.11038	17.5
311.12827	3.9
321.11218	53.5
322.11478	3.8
324.09869	2.9
325.10754	2.7
327.12204	21.7
339.12207	36.4
340.12405	2.3
352.96738	1.9
356.32742	2.5
357.13300	14.5
357.32983	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	357.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14705	0.0
55.01862	0.2
56.11313	0.0
63.87840	0.0
68.15881	0.0
68.99788	0.1
70.06564	0.0
71.01334	0.0
71.69307	0.0
74.34433	0.0
79.01833	0.1
81.03365	0.0
97.02869	1.7
103.01861	0.1
105.06991	0.0
105.70735	0.0
107.01289	0.7
107.04903	0.0
109.02872	0.1
115.05415	0.2
121.02832	0.1
125.02323	0.1
133.06450	0.0
135.04269	0.0
137.02298	0.2
137.05782	0.0
141.01779	0.1
143.04909	0.2
147.04382	0.1
149.02339	0.0
152.55083	0.0
153.01761	0.3
161.05971	0.2
163.03920	0.1
164.07088	0.0
165.01759	0.2
171.04364	2.6
172.04607	0.1
173.02394	0.0
175.03903	0.1
177.01881	0.0
177.05507	0.1
183.02869	0.1
187.03908	0.3
189.05438	0.6
191.03398	0.2
199.03862	0.7
201.01733	0.1
203.03217	0.1
205.04828	0.0
215.03281	0.1
216.04120	0.1
217.04919	1.2
218.05145	0.0
219.02847	1.4
220.03117	0.0
223.02274	0.1
227.03319	1.0
228.03925	0.1
231.02682	0.1
237.05600	0.1
243.02811	0.3
244.03566	0.1
245.04401	4.9
246.04837	0.1
249.03877	0.1
255.02878	0.5
256.03299	0.0
261.03888	2.8
262.04196	0.1
263.01910	0.1
269.04352	0.1
273.03857	100.0
274.04196	4.3
285.03937	0.1
287.05472	0.1
297.03827	0.1
311.05368	0.3
318.09625	0.1
339.04974	0.5
340.05133	0.0
356.97021	0.1
357.05945	1.4
358.06195	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	357.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32450	1.0
56.96551	1.6
59.74456	0.9
63.91828	0.9
69.03406	1.3
69.36295	2.5
69.36704	9.7
71.54034	0.8
73.02900	1.3
81.03396	1.5
81.28567	0.9
85.02896	1.7
96.87600	1.0
98.97559	2.1
101.00842	1.4
109.02889	2.4
109.91564	1.1
116.98599	1.5
119.01882	3.9
121.49271	1.0
131.01784	1.5
133.03450	1.4
134.96964	1.2
134.99817	2.4
140.97937	4.7
140.98843	1.1
145.03502	1.9
152.97966	2.1
153.00914	1.3
156.97473	6.4
158.99876	2.9
159.01161	1.2
161.02899	3.0
170.99008	60.6
171.99121	2.8
174.98502	9.5
177.00923	85.0
178.01019	8.3
180.97530	1.3
185.02969	1.8
186.99240	1.6
189.00064	75.0
190.00163	2.8
190.99185	1.4
194.00639	2.1
194.99016	9.1
197.00581	23.7
198.98485	17.2
199.02898	1.6
200.02509	1.4
201.00882	4.1
203.02466	3.0
203.04175	1.4
209.00467	13.5
210.98529	2.0
212.01514	1.8
213.00060	65.9
214.00159	4.6
215.01605	24.9
216.01897	1.3
216.99617	6.1
217.04042	64.1
218.04182	6.8
219.01965	57.3
220.02127	7.1
222.98416	1.8
225.00133	3.3
227.01570	33.7
228.02287	1.9
228.97551	1.1
229.00346	4.9
231.01088	16.2
234.99725	1.1
236.01692	2.1
237.00031	13.7
239.01773	1.6
240.05553	1.8
240.99547	4.3
242.03539	1.0
243.01993	9.5
244.02089	1.6
245.03545	100.0
246.03719	10.5
247.01392	10.8
248.01508	1.4
250.03101	1.1
251.02431	3.2
252.32886	0.9
252.99580	2.3
253.04019	1.4
255.01108	59.9
256.01245	3.5
256.32971	1.0
261.00272	1.5
261.02979	19.7
262.03186	2.3
268.05212	2.2
269.03568	13.0
270.03339	1.5
271.01437	44.9
272.01514	6.6
272.99420	2.5
273.02115	11.7
278.02734	2.9
279.01187	1.9
287.01285	1.2
287.04593	3.8
289.02499	41.5
290.02606	6.0
291.00449	3.2
294.03076	1.8
296.99341	2.2
297.02209	11.3
298.02414	1.3
301.01605	7.7
303.62439	1.1
312.04083	1.6
315.00348	32.6
315.03342	12.6
316.00357	4.8
333.01410	82.4
333.04477	6.2
334.01657	13.5
338.01859	2.1
351.06183	1.2
356.03168	3.5
357.04315	18.3
366.83566	1.0
375.05573	20.3
376.06149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21518	0.8
56.96550	1.2
59.69028	0.9
71.62959	0.8
71.68678	1.3
72.41756	0.7
75.83096	0.7
85.02868	1.0
98.78680	0.7
98.97550	1.2
119.01862	1.6
128.73729	0.7
134.99872	2.6
140.98889	1.6
143.01886	0.7
145.03383	1.7
156.97453	2.6
158.99840	4.5
170.99025	16.1
174.98477	2.1
177.00923	70.1
178.01042	4.3
180.97404	0.9
189.00072	16.6
190.00098	0.9
194.99040	1.7
195.01913	1.3
197.00517	5.9
198.98476	3.9
199.03078	1.4
200.02730	1.5
201.00917	3.3
203.02444	2.9
205.00452	1.0
209.00459	4.5
213.00089	18.7
214.00232	0.9
215.01648	6.1
216.99600	1.9
217.04053	59.4
218.04112	3.2
219.01974	50.8
220.02072	3.8
227.02435	13.3
227.50952	0.8
229.00375	3.5
231.01178	4.7
234.99522	1.2
237.00111	4.5
240.05617	2.7
242.03458	0.9
243.01970	9.9
245.03549	97.1
246.03699	6.7
247.01436	8.2
247.03661	1.2
253.00182	2.5
253.03955	1.1
255.01096	18.2
261.03012	19.6
262.03104	1.4
268.05200	2.1
269.03439	7.8
271.01450	46.8
272.01614	2.7
272.99335	2.6
273.02252	2.7
279.01160	1.6
287.00867	1.5
287.04526	1.5
289.02509	42.4
290.02539	2.4
291.00348	2.9
294.03043	1.4
296.99377	3.4
297.02325	3.1
301.01752	2.4
312.04156	1.2
315.00363	41.9
315.03320	4.0
316.00769	4.1
316.04016	1.2
333.01471	100.0
334.01688	7.3
338.01917	1.6
355.08505	0.8
356.02966	3.7
357.04428	5.1
375.05869	9.8
377.31537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.8
55.05487	5.0
56.05030	1.7
57.03422	2.0
58.06586	5.5
59.04980	1.7
65.03921	2.9
67.05487	7.0
69.03425	2.4
69.07050	4.2
69.45700	3.3
69.46107	14.1
70.06580	12.0
71.08623	21.6
72.08143	50.7
74.06057	2.6
75.75734	2.1
76.02221	2.7
79.05479	3.6
81.03377	1.8
81.07043	7.5
83.08588	1.6
84.08126	13.0
85.02897	3.6
85.06519	11.9
86.06052	4.7
91.05410	3.4
93.07027	3.9
95.04939	6.3
95.08578	5.4
97.02856	1.8
97.06543	2.1
98.06033	2.3
99.08083	35.0
100.07574	1.9
105.07024	2.8
106.97377	1.4
107.04935	2.0
107.08597	1.8
109.06486	1.8
109.10146	2.5
110.09600	1.8
111.04394	2.4
112.07600	5.4
112.11228	6.2
113.05998	18.4
115.05445	2.6
116.01685	2.0
116.10693	2.6
118.61355	1.7
119.01913	3.0
119.08508	1.9
121.02852	11.7
121.06538	2.8
122.03613	2.4
124.07571	1.9
125.10697	2.3
126.09172	9.5
126.12774	14.8
128.10728	5.8
129.13832	1.9
137.05957	20.6
143.04933	2.2
145.06429	2.7
146.07265	2.0
147.03261	1.5
147.04361	3.8
147.07994	2.6
149.09641	1.5
151.03883	4.6
152.10680	4.9
153.05414	3.5
155.01944	1.7
156.13812	97.4
157.14183	6.4
159.08055	3.8
160.40520	1.5
161.05992	4.1
162.02155	2.7
165.05495	1.7
165.06886	2.4
167.07024	3.6
170.11743	38.9
170.15384	60.3
173.05904	2.1
175.07489	2.7
177.05490	2.4
178.07785	2.8
179.08568	2.9
181.04938	7.1
181.06401	2.4
182.07126	1.9
184.13394	2.6
185.16472	4.0
187.07532	2.1
187.18022	3.5
191.08601	2.7
194.07271	2.2
195.08130	4.3
197.09593	1.9
199.18065	6.9
203.07010	3.4
205.06471	1.9
206.07050	2.7
207.08041	4.0
208.08598	2.7
209.09518	3.2
210.06773	3.2
211.07558	3.4
216.77614	1.8
219.08000	4.4
220.08684	2.7
221.05991	3.1
221.32164	1.6
222.06744	1.9
223.07379	2.5
224.08340	2.3
225.09062	3.9
225.19560	4.6
226.06297	2.8
227.21196	4.5
235.07471	7.7
236.08226	3.2
237.08928	3.1
238.06104	2.2
239.06952	6.5
239.10616	2.4
241.19119	8.5
241.22731	10.2
244.23766	20.1
247.07446	3.4
247.09694	7.5
250.06107	2.7
251.06903	2.5
251.10504	2.5
252.07648	3.6
253.08546	11.8
254.09085	1.8
255.09879	1.7
256.65140	2.0
263.07025	3.5
264.07559	3.9
265.08469	3.8
266.09064	2.5
267.10025	2.6
268.07321	2.6
269.11694	5.0
273.03894	14.6
275.06839	2.1
279.10077	4.0
280.07077	2.2
281.07980	3.8
282.08759	2.9
283.09445	1.8
293.08069	2.1
294.08685	2.4
295.09460	3.2
296.09903	2.8
297.11215	11.4
298.11459	2.3
307.09555	3.8
309.11041	1.5
313.10587	2.0
324.09299	3.9
325.10651	34.7
326.11127	10.7
327.12317	7.2
329.13776	8.5
333.17477	2.9
338.10910	3.0
338.27942	20.5
339.12323	2.1
339.26288	2.2
356.07376	2.0
356.12006	6.3
356.28967	100.0
356.32739	91.1
357.13306	38.1
357.29120	3.1
357.33154	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.80380	0.3
58.06586	3.0
60.55756	0.4
63.80513	0.4
65.23503	0.3
66.82697	0.3
69.39943	2.9
69.40366	1.1
70.06567	0.5
71.04976	4.8
71.08248	0.6
71.08621	9.0
72.08147	6.0
73.06548	4.2
75.81815	0.3
81.07032	0.4
84.08124	1.4
95.04939	0.6
98.06025	1.0
99.08079	17.2
112.11221	2.2
113.05975	2.1
114.09153	0.7
117.14048	0.4
126.04861	0.3
128.10687	2.5
129.13882	0.6
142.08629	0.5
151.11212	0.4
154.04137	0.4
155.15331	0.9
156.13815	100.0
157.14169	2.0
170.11781	0.7
184.13312	8.8
201.15976	1.0
227.21217	1.1
241.19012	0.9
258.21741	1.2
273.03860	2.0
338.27908	2.7
339.26468	2.1
356.29022	96.1
357.29297	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	356.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84328	23.9
55.05493	100.0
55.84311	20.0
57.03428	31.8
60.41890	21.7
64.82169	20.8
64.85255	22.5
67.05480	91.6
69.03398	24.6
69.07050	75.3
70.39838	79.4
70.40248	36.1
72.04485	58.6
79.05472	85.1
81.03423	27.1
81.07043	86.4
82.07410	23.1
83.08602	41.0
84.08118	42.3
91.05409	60.6
93.07014	79.1
95.04943	34.4
95.08576	48.7
97.06523	56.2
97.10159	53.1
105.07008	62.9
107.08588	53.7
109.06540	34.7
109.10072	38.5
109.46111	20.1
117.06989	50.9
119.08556	39.4
121.02798	23.2
121.06413	36.7
121.10102	32.3
125.09605	94.6
131.77165	23.7
135.08061	37.9
144.99323	19.9
159.08055	57.6
175.14862	21.9
193.12161	33.0
273.03885	60.3
356.25613	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	36.7
57.03431	8.4
57.07060	11.0
63.16269	3.3
67.05497	79.7
67.37362	4.0
69.07056	40.6
70.13728	20.2
71.08626	9.0
79.05484	27.2
81.07047	100.0
81.48484	3.5
83.04984	6.3
83.08615	33.9
83.24418	3.1
85.06523	4.4
91.05429	18.3
93.07045	33.0
95.04917	3.8
95.08594	96.6
97.06527	13.0
97.10174	21.8
98.20745	4.7
99.08038	3.2
103.03947	4.3
105.07011	13.3
107.08572	21.9
109.10143	39.9
111.07974	3.6
111.11697	6.9
113.09645	5.0
118.66772	3.4
119.08566	19.0
121.10128	39.0
123.11697	23.5
124.11979	3.3
127.11162	3.9
129.05478	6.1
133.10104	18.8
135.11656	15.1
137.13251	9.9
147.11673	13.6
149.13220	18.8
151.14821	8.9
161.13249	23.5
163.14781	14.6
165.16371	12.8
167.14296	3.7
175.14842	16.4
179.17857	4.1
187.94771	3.4
189.16338	3.9
245.22647	55.2
246.19092	3.3
246.22879	4.3
263.23669	52.8
334.66922	3.7
337.27374	31.5
355.28238	15.5
363.60931	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	356.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01857	13.0
55.05508	18.3
57.03430	23.2
60.28378	2.8
60.71311	2.9
66.74165	2.7
67.05495	81.6
69.03419	7.1
69.07053	18.5
70.21870	8.0
70.22291	6.8
71.04992	6.1
75.05711	3.0
79.05486	41.5
80.05808	3.1
81.03399	6.3
81.07047	73.9
82.07383	5.8
83.04970	24.4
83.08574	7.7
85.06548	15.7
91.05461	62.7
93.07034	48.8
94.07361	4.3
94.32903	2.6
95.04954	29.2
95.08588	20.7
96.08939	3.6
97.06517	88.0
99.97518	2.8
101.15275	3.2
103.51186	2.8
105.07021	68.7
107.04937	7.2
107.08582	51.9
107.09256	5.8
108.08921	4.6
109.06487	18.9
109.10140	57.8
110.10441	5.0
111.08071	17.3
113.05981	7.0
115.07487	4.1
117.06960	8.0
119.08556	10.4
121.06498	8.3
121.10108	6.1
123.08086	5.9
123.11678	19.8
131.08542	17.5
132.08876	3.9
133.06499	12.8
133.10106	100.0
135.08035	6.1
135.11679	3.3
137.05954	3.9
139.07550	3.3
142.21315	2.9
143.08615	3.4
145.10141	3.5
147.11694	5.1
149.09573	8.5
151.11160	79.3
161.09608	5.7
173.09624	3.4
173.13268	4.6
175.11121	4.6
177.09102	12.2
177.12735	4.4
179.10599	4.3
183.13808	9.0
193.12199	4.2
203.10628	3.9
221.11629	6.7
232.57108	3.1
261.18561	3.9
261.22482	3.6
271.16995	4.3
289.17871	14.6
307.18896	4.1
321.20535	7.1
337.27493	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03929	2.7
55.01857	2.1
55.05508	38.6
57.03429	11.8
57.07068	15.2
63.96251	1.4
65.03925	1.9
67.05498	71.1
69.03403	1.2
69.07062	50.0
70.41399	4.8
71.04977	4.0
71.08613	6.4
77.63966	1.4
79.05484	27.2
81.07047	100.0
83.04974	2.9
83.08611	36.4
84.24866	1.5
85.06519	2.9
85.10168	4.8
88.80213	1.3
88.80841	1.6
91.05453	17.5
92.51542	1.4
93.07034	31.4
95.04945	2.1
95.08597	77.7
97.06518	12.3
97.10162	22.5
99.08073	3.3
103.03937	2.5
103.07265	1.6
103.35329	1.5
105.07003	17.0
107.08581	25.0
109.06485	1.9
109.10146	43.9
111.08054	4.6
111.11720	8.4
113.09657	2.1
117.07014	2.3
118.14916	1.7
118.93208	1.4
119.08558	16.9
121.10136	28.6
122.10543	1.7
123.08025	2.3
123.11683	21.0
125.09612	1.8
127.11116	2.3
129.05453	3.7
131.08540	2.1
133.10103	22.6
135.11665	18.8
137.09578	3.4
137.13245	9.1
139.11153	3.7
141.12758	1.7
147.11662	12.6
149.13211	16.5
151.11169	2.9
151.14809	6.3
161.13264	15.0
163.14789	16.3
165.12704	2.1
165.16382	7.2
167.14264	1.6
175.14812	10.2
177.16333	2.4
179.17874	4.2
181.15781	1.8
189.16400	5.4
193.15849	2.3
203.17924	3.1
245.22614	49.7
246.22876	2.2
247.24399	1.8
263.23682	52.5
263.26477	3.0
264.24023	1.8
281.24823	2.0
337.27344	33.7
338.27658	2.3
353.84274	1.4
355.28717	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	355.2835
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03924	2.5
55.01852	3.0
55.05236	2.4
55.05502	42.8
57.03425	11.4
57.07070	13.9
58.96111	1.6
65.03924	1.9
67.05494	80.7
69.07056	55.1
71.04979	2.1
71.08607	6.4
73.04737	2.4
79.05480	31.7
81.07042	100.0
83.04979	2.5
83.08604	35.9
85.06509	4.1
85.10173	3.4
91.05449	24.7
93.07022	31.2
94.07321	1.9
95.04969	2.1
95.08590	87.5
96.08988	1.7
97.06517	11.1
97.10160	20.8
99.08073	5.1
103.03955	2.9
105.07014	17.9
107.08575	25.0
109.06474	2.6
109.10133	44.6
111.08044	4.3
111.11703	9.0
113.09610	4.1
119.08559	15.5
121.10128	30.5
123.08035	2.8
123.11697	22.4
125.09572	2.6
125.13214	2.1
127.11176	2.5
129.05408	3.0
131.08527	2.2
133.10104	18.1
135.11665	15.9
137.09589	4.4
137.13188	9.3
141.12761	2.3
147.11662	13.6
149.13239	19.7
151.11160	2.5
151.14854	8.3
160.01483	1.6
161.13251	15.5
163.14777	12.8
165.12784	2.0
165.16418	9.0
175.14763	11.2
177.16399	2.1
179.14291	3.4
179.17896	5.9
184.93018	1.8
189.16328	5.0
203.18034	2.0
217.19388	1.9
245.22597	51.0
263.23657	44.5
271.96426	1.8
337.27295	32.6
355.24213	3.3
355.28409	10.8
355.33994	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38724	2.1
53.03930	2.9
55.01867	3.1
55.05504	35.4
56.08410	1.8
57.03423	9.0
57.07066	15.1
59.04963	1.8
65.03939	2.5
67.05494	88.2
69.03412	2.5
69.07057	48.2
70.02142	12.3
71.04992	7.0
71.08617	9.0
79.05483	29.5
81.07045	100.0
83.04969	3.9
83.08607	30.0
85.06535	4.1
85.10191	5.3
89.51585	1.7
91.05452	28.1
93.07031	45.3
93.07590	3.8
95.04954	4.9
95.08594	90.5
96.89817	1.7
97.02879	2.0
97.06515	12.7
97.10162	23.1
97.10746	3.1
99.08086	5.7
105.06997	17.9
107.08579	26.1
109.06462	2.1
109.10143	40.7
111.04417	2.5
111.07349	2.0
111.08054	9.5
111.11714	8.1
113.09618	3.5
117.06989	1.9
119.08562	21.1
121.10136	33.7
123.08006	3.3
123.11706	20.4
125.09634	4.1
125.13269	2.8
131.08568	5.4
133.10101	20.7
135.11676	17.2
137.09636	10.8
137.13243	12.5
139.07535	7.0
139.11046	3.0
145.10072	2.2
147.11642	14.9
149.13216	18.4
151.11143	4.1
151.14828	8.3
161.13222	18.2
163.14795	12.2
165.12750	2.5
165.16365	9.1
169.12263	2.7
172.60785	2.1
175.14801	11.7
177.16357	3.6
179.17902	5.2
181.12215	12.1
189.16344	6.9
197.06303	5.0
201.14854	3.5
245.22632	52.1
245.25131	2.8
263.23672	50.9
264.23981	2.6
274.57013	2.1
291.19470	3.2
305.21164	2.3
323.16360	2.3
323.22128	2.4
337.27319	20.4
351.81046	2.2
355.28296	6.9
356.35196	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	355.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84978	3.4
55.01867	5.8
55.05510	24.5
57.03411	4.6
57.07054	4.2
61.01137	10.1
67.05495	47.1
69.07067	20.3
71.05005	5.5
73.04746	4.1
79.05490	28.2
81.03400	8.5
81.07047	100.0
83.08611	14.9
87.02673	14.3
89.04286	4.2
89.78787	3.3
91.05415	21.7
93.07035	38.4
95.04968	13.1
95.08607	30.3
97.06538	7.6
97.10177	6.7
103.02159	3.6
105.07010	26.9
107.04944	8.2
107.08575	16.5
109.06491	8.6
109.10142	13.3
111.08089	6.2
117.07045	6.7
119.08543	18.3
121.06496	4.5
121.10138	12.3
123.08064	8.8
129.07306	9.8
131.08559	8.1
133.10132	17.4
135.11661	12.6
137.09599	5.5
145.10133	7.3
147.11684	13.8
149.09630	11.2
149.13182	6.5
151.11201	3.8
157.10150	4.6
159.11731	6.8
161.13300	4.7
163.11160	11.5
165.12718	5.7
171.11565	5.4
173.13258	6.8
213.40736	3.4
263.23581	4.1
275.20044	23.8
300.71503	3.5
307.22641	15.2
323.20325	8.9
355.22879	15.3
355.27185	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03912	2.2
55.01864	2.5
55.05501	37.4
57.03423	9.9
57.07060	12.6
67.05493	83.8
68.05814	2.0
68.94122	1.4
69.07054	44.1
69.54979	13.7
71.04973	3.4
71.08604	5.0
79.05479	29.3
81.07043	100.0
83.08605	32.9
85.06528	4.7
85.10160	2.2
91.05452	19.5
93.07034	28.2
95.04945	3.3
95.08588	90.3
96.08919	2.9
97.06519	11.7
97.10153	23.4
99.08073	4.2
105.07004	16.5
107.08581	24.0
109.10130	53.2
111.08053	6.1
111.11700	7.5
113.09639	2.8
119.08569	16.7
121.10113	30.3
123.07975	1.9
123.11698	23.0
125.09637	1.8
125.13234	3.8
127.07494	1.7
129.05446	3.6
133.10104	19.8
135.11670	18.3
137.09628	4.0
137.13203	10.6
139.11125	2.3
147.11636	12.0
148.11092	1.9
149.13246	15.2
151.14819	6.3
153.12727	2.2
155.14272	2.2
161.13242	16.0
163.14789	17.4
165.16362	5.3
175.14767	11.7
177.16306	3.4
179.17902	5.7
189.16302	7.9
193.15796	2.0
212.98235	1.7
245.22618	46.3
246.22997	2.8
263.23672	49.1
264.24066	2.0
265.25198	2.4
337.27310	31.7
338.27524	2.2
355.28445	10.0
356.35217	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12925	4.1
53.03924	7.8
54.64743	3.8
55.01863	14.3
55.05505	39.6
57.03426	5.3
57.07059	12.8
61.01151	10.3
62.80015	3.8
65.01624	3.9
67.05495	60.0
69.07058	44.3
71.04970	8.2
71.43386	6.6
79.05471	40.3
80.67509	4.9
81.03408	9.3
81.07045	100.0
81.07531	4.8
83.04955	11.5
83.08603	20.7
87.02682	10.7
91.05435	33.4
93.07034	44.6
95.04948	18.2
95.08590	56.6
97.06525	9.0
97.10159	7.7
99.08081	4.3
105.07008	45.9
107.04942	9.6
107.08572	24.3
109.06490	16.7
109.10159	32.8
117.07005	9.1
119.08566	29.8
121.06483	6.5
121.10136	22.8
123.08051	18.4
123.11697	9.9
129.07045	5.2
131.08522	18.0
133.10103	24.5
135.08020	8.4
135.11682	15.4
137.09587	6.9
139.11101	4.7
143.08574	4.8
145.10127	15.3
147.11670	24.4
149.09586	11.8
149.13243	10.5
151.11176	4.9
155.08484	5.1
159.11703	9.9
161.09561	4.5
161.13217	12.6
163.11140	8.7
163.14793	4.9
165.12730	7.4
171.11684	6.8
173.09602	5.3
173.13191	7.9
175.14804	8.0
177.12741	5.5
183.11650	7.2
185.09795	5.1
199.14798	5.0
214.17361	4.8
245.22638	13.6
257.19040	7.7
259.20563	4.2
263.23618	16.3
275.20050	61.9
307.22656	38.8
323.20407	16.0
355.07092	4.7
355.22861	10.5
355.28433	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	355.1018
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.63878	1.1
53.03930	1.3
55.01866	2.0
55.05489	1.4
56.52559	1.2
68.99767	2.7
70.06571	4.6
73.04747	6.3
79.05469	1.9
81.03390	1.6
84.08113	2.6
85.02898	2.5
86.09689	2.5
89.03912	7.8
91.05799	28.6
95.04961	1.6
97.02879	1.5
105.03387	2.0
107.04943	2.8
114.07358	2.4
117.03362	9.3
119.04908	1.5
121.02840	14.5
123.04405	2.5
129.10303	1.6
135.04399	18.2
136.08629	1.3
145.02814	11.5
147.04367	3.0
149.05916	1.8
161.02922	1.5
163.03885	100.0
164.04225	2.7
165.01836	4.1
169.03502	1.9
175.05930	1.5
183.02846	6.6
185.39917	1.2
189.01767	1.5
191.03456	1.8
193.04942	4.3
193.06686	1.5
195.02841	7.6
196.17210	1.3
203.03540	1.8
219.02927	1.4
221.04710	1.6
231.02777	5.9
233.04413	1.9
235.20682	1.1
243.02806	4.0
249.03952	1.8
259.05917	2.2
261.03903	19.9
262.04126	1.4
268.97882	6.4
271.05890	1.9
285.00919	8.2
285.03662	1.5
286.00891	2.0
295.06558	7.0
303.01920	2.7
313.07635	2.4
325.07062	2.0
337.06833	8.0
355.07626	6.9
355.11115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3362
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05499	8.0
57.07065	12.2
58.06600	10.2
60.04516	15.5
67.05496	4.8
69.07061	16.0
69.37750	23.3
69.95648	1.9
70.02946	2.7
70.06586	4.3
71.08610	8.2
74.06080	1.9
74.93462	1.8
81.07038	14.5
83.08617	12.0
84.08089	4.4
84.72208	2.1
86.06049	3.3
87.25394	2.0
93.07036	2.4
95.08588	14.3
97.10153	10.3
98.21438	4.3
107.08596	2.5
109.10143	6.7
111.11687	5.9
119.08697	2.0
123.11652	3.1
215.56779	1.9
243.27798	2.2
268.30042	7.2
294.31454	2.7
306.31601	2.0
307.30066	2.2
310.30984	5.0
324.32413	2.6
326.34140	4.5
336.32361	10.4
354.33606	100.0
355.33847	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	355.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90862	1.5
56.96577	1.8
67.05499	1.7
68.99793	5.1
69.03426	5.3
70.06577	2.7
71.69812	1.9
71.70246	1.9
73.04757	13.1
85.02900	2.3
91.05782	54.5
95.04990	2.1
97.02900	2.9
114.07372	2.6
121.02849	39.6
131.04964	3.1
131.54585	1.5
134.06049	2.9
135.04466	1.8
137.05078	1.5
147.04376	3.5
150.05444	1.7
152.07135	3.0
163.03883	13.5
171.65047	1.9
177.01727	2.2
183.02850	1.9
185.04202	2.4
192.03888	12.5
193.04721	10.3
205.04951	17.1
216.08522	1.7
249.04039	2.1
261.04034	6.1
268.97821	12.6
285.00916	18.6
303.02097	4.4
324.08264	3.9
337.09671	3.8
355.10153	100.0
356.10535	2.9
373.08179	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	354.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82031	1.7
55.05505	19.2
56.05030	2.8
57.03399	1.5
57.07060	4.2
59.30096	1.7
60.04519	34.4
66.86273	1.5
67.05499	19.0
67.73473	1.6
69.07059	22.4
71.08598	2.7
71.47132	3.7
79.05476	4.4
81.07044	22.2
83.05000	2.1
83.08602	17.3
91.05467	8.0
93.07018	7.7
95.04909	1.9
95.08594	20.8
97.06529	2.6
97.10147	11.4
100.78786	1.9
105.06993	4.2
107.08588	5.2
109.10156	12.2
111.08073	1.7
111.11699	2.3
119.08559	6.5
121.10143	4.0
123.11690	5.1
133.10091	7.1
135.11661	3.0
137.09592	2.0
142.15866	12.1
145.10068	1.8
147.11723	4.0
151.11189	2.7
154.12282	5.0
179.14149	1.6
186.14923	4.8
193.16093	1.7
245.22615	6.2
263.23688	7.6
280.26260	12.6
312.28964	18.0
322.23801	1.8
322.27301	3.5
354.29977	100.0
355.30423	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	354.2171
Annotation	Brevicompanine C
Peak:m/z	Relative Intensity
51.02355	0.4
53.03938	0.7
55.05506	0.2
58.06578	0.2
58.31568	0.1
60.18059	0.1
65.32436	0.2
67.46075	0.1
70.06554	0.2
70.73122	0.5
72.08144	0.8
77.03870	0.8
84.08136	0.9
95.04951	1.7
105.03373	100.0
106.03693	1.9
112.11219	1.2
112.93295	0.1
122.06010	0.6
129.13860	0.2
134.05989	7.3
150.09120	0.2
152.06958	0.2
161.10725	1.6
162.09113	90.1
162.20947	0.2
163.09473	2.2
176.10681	7.1
193.13287	0.4
220.46277	0.2
233.16391	0.8
336.20679	0.7
336.26349	0.4
337.19104	1.1
354.21698	66.1
355.22028	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2631
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01844	2.5
55.05275	1.0
55.05502	12.8
56.05012	2.2
57.03422	1.3
57.07053	1.5
60.04518	8.0
67.05489	14.4
69.07056	7.7
70.06562	2.7
71.08630	5.8
71.70499	2.1
75.74887	0.8
79.05487	11.3
80.05013	2.2
80.05801	1.1
81.03389	1.5
81.07040	16.1
82.06563	3.8
82.07375	1.2
83.04939	2.2
83.08618	5.8
84.08098	1.0
91.05395	6.0
93.07030	15.7
94.06570	4.6
95.04959	2.8
95.07337	1.5
95.08588	9.2
96.08126	1.5
97.02828	1.0
97.06508	1.8
97.10136	4.4
99.08065	4.0
100.11235	100.0
101.11600	1.8
105.07014	5.9
106.06505	1.6
107.04927	1.9
107.08585	8.9
108.08093	3.4
109.06480	1.5
109.10124	5.5
111.08047	0.9
114.12775	1.4
117.06971	2.2
119.08549	4.2
121.10137	3.5
123.08091	1.5
123.11675	2.2
125.09601	1.9
126.12727	1.2
131.08612	2.3
133.10120	3.7
135.08009	1.0
135.11662	4.3
136.50919	1.0
138.12784	3.1
140.14285	2.3
142.12248	26.2
145.10092	1.5
147.11652	3.1
149.13239	2.0
150.12740	1.8
151.11168	1.7
152.14330	3.7
154.12202	2.0
157.10156	0.9
161.13229	3.5
163.11124	2.3
163.14825	1.8
164.14297	3.3
166.15845	1.8
167.10582	2.0
171.11560	1.5
177.12750	4.4
180.13768	1.1
185.13208	1.3
186.44455	1.0
189.11166	1.9
194.15172	1.1
206.15359	1.2
210.14943	1.7
226.14331	1.3
231.21225	1.1
240.79807	0.9
258.21851	1.1
259.20474	6.8
260.21030	1.3
274.21558	6.1
276.23181	17.6
277.21500	22.6
277.24130	1.2
278.22064	1.1
292.22717	4.7
294.24228	55.3
295.22354	2.4
295.25165	1.8
308.25864	4.9
312.25217	1.7
318.24191	5.3
336.25305	15.8
337.25415	1.0
354.26343	35.7
355.26617	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	3.1
53.49594	0.9
55.01858	1.2
55.05506	13.7
57.03437	7.3
57.07063	4.1
59.55025	1.3
59.69874	0.9
61.82674	0.8
63.44553	0.9
65.03928	3.1
67.05495	95.2
68.05814	1.9
69.07053	15.7
69.70217	0.8
69.70546	8.4
71.04977	2.8
71.08620	1.8
79.05481	41.6
79.37564	0.9
81.07045	100.0
82.07381	2.8
83.05001	1.3
83.08604	6.1
85.06506	2.3
91.05466	21.8
93.07033	56.1
94.07363	1.7
95.04967	2.8
95.08595	76.0
96.08924	1.3
97.06507	2.9
97.10160	2.6
99.08073	1.9
105.07015	15.8
107.08574	35.5
109.06540	2.3
109.10143	39.6
111.08070	1.5
111.11742	1.0
113.09640	1.2
117.06999	7.2
119.08582	11.6
121.10120	30.4
123.08067	1.2
123.11684	20.3
131.08545	17.6
133.10114	13.2
135.11671	22.5
137.09613	1.4
137.13220	8.8
145.10106	13.9
147.11647	9.9
149.13234	17.9
151.11147	1.9
151.14795	2.8
153.12767	1.5
159.11691	14.3
160.12074	1.6
161.13255	9.1
163.11095	1.5
163.14777	11.4
165.12761	1.8
173.13249	14.3
175.14845	4.0
177.16382	3.9
187.14771	9.5
199.36255	1.0
201.16347	2.4
205.15721	1.2
211.11649	1.2
215.17978	1.5
233.22594	3.9
234.57788	1.0
243.21066	19.2
244.21481	1.4
261.22113	87.4
262.22495	7.1
263.23389	1.2
279.23132	9.5
335.25812	10.9
336.26041	1.7
353.22772	1.3
353.26880	21.0
354.27194	2.4
359.72964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91807	1.8
53.03919	1.8
55.05507	13.3
57.03410	5.1
57.07050	4.8
61.49887	1.6
65.03928	4.3
67.05494	89.4
69.07064	12.2
70.13963	9.8
71.04959	3.3
79.05483	43.6
81.07043	84.6
83.08600	5.6
85.34266	1.5
89.57220	1.6
91.05462	20.1
93.07029	55.5
95.04958	4.2
95.08590	63.0
96.08928	1.7
97.06480	2.7
97.10122	3.2
99.08066	2.2
105.07016	15.3
107.08578	37.1
107.81435	1.9
109.10143	32.4
109.26909	1.6
111.07993	1.8
117.06999	9.3
119.08568	14.2
121.10126	33.2
123.11693	17.2
125.09679	2.1
127.98959	1.8
131.08554	19.0
133.10086	13.4
135.11682	27.6
137.09567	2.3
137.13232	6.8
142.10437	2.0
145.10114	13.1
147.11676	11.1
149.13243	21.4
153.12711	2.5
159.11671	13.9
161.13229	8.9
163.14832	10.9
173.13223	14.5
175.14769	2.9
177.16299	3.2
187.14777	8.9
201.16284	2.3
224.25137	1.6
233.22568	5.4
243.21028	18.5
244.21394	2.5
261.22110	100.0
262.22412	6.1
279.23160	4.0
335.25742	5.1
353.26801	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
53.81313	1.2
54.79364	1.1
55.05263	1.6
55.05502	14.7
57.03430	5.4
57.07057	4.3
57.14662	1.2
65.03911	2.9
67.05495	79.4
69.07063	12.2
70.11311	1.1
71.04976	4.3
77.88941	1.0
79.05482	44.4
79.76355	1.3
81.07043	92.5
82.07348	2.0
83.08591	5.0
85.06518	2.3
89.56184	1.0
91.04926	1.6
91.05465	24.8
93.07030	62.1
94.07341	1.4
94.24670	1.1
95.04935	3.9
95.08591	68.7
97.06495	2.3
97.10114	2.0
98.21445	2.9
99.08064	1.6
105.07025	18.9
107.08578	39.7
109.06488	2.6
109.10138	37.2
109.10878	2.6
113.09713	1.3
113.77785	1.3
117.07006	7.9
119.08556	16.2
121.10131	32.8
123.11684	20.5
125.09601	1.4
127.00779	1.2
129.06929	1.5
131.08546	21.1
133.10106	13.8
133.11047	1.8
135.11671	28.8
137.13271	7.6
139.11159	1.9
143.64075	1.1
145.10110	14.7
147.11664	10.4
149.09608	1.6
149.13226	20.5
150.03111	1.1
151.11159	2.0
151.14818	1.3
159.11652	14.0
161.13235	9.0
163.14810	13.2
165.12747	2.0
173.13232	15.7
175.14809	3.5
177.16331	4.9
179.14264	1.6
187.14790	12.2
191.14391	1.8
201.16307	2.8
202.88632	1.2
205.15842	2.8
233.19032	1.3
233.22586	5.6
243.21053	19.4
244.21523	2.0
250.68837	1.2
261.22101	100.0
262.22501	7.7
279.23096	4.6
335.25751	7.2
353.26831	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
54.67387	2.6
55.01863	2.3
55.05500	21.3
57.03420	6.1
57.07048	7.4
60.63222	2.3
65.03915	3.8
67.05143	5.9
67.05495	100.0
68.05814	5.5
69.07056	13.7
69.45943	27.4
71.04980	2.8
71.08618	17.4
72.08944	5.5
74.87304	2.2
77.93118	2.2
79.05482	60.7
80.05813	7.2
80.11776	2.3
80.40088	2.3
81.07045	92.5
82.07370	9.3
83.04953	3.3
83.08602	10.2
85.06558	4.1
91.05460	31.1
92.05810	4.0
93.07028	75.2
94.07374	6.6
95.04947	8.9
95.08591	67.1
95.33286	2.4
96.08934	6.5
97.06523	6.0
97.10163	5.1
99.08080	14.5
100.08410	4.6
105.07022	28.2
106.07345	5.2
107.08573	47.4
108.08903	5.3
108.28041	2.4
109.06541	2.9
109.10133	20.4
110.10485	4.0
111.08088	2.9
113.09588	4.9
117.06998	12.3
119.08586	22.6
120.08901	3.2
121.10124	42.1
122.10440	3.4
123.11646	12.8
131.08548	24.6
133.10072	14.2
134.10439	4.6
135.11678	27.9
136.11989	5.9
137.13254	5.9
145.10085	16.2
147.11670	13.9
149.13280	20.5
151.11182	4.7
151.14850	3.8
159.11685	14.7
161.13229	13.3
163.11220	3.6
163.14819	17.3
173.13213	18.0
175.14777	4.7
177.12756	4.5
177.16377	8.1
179.14267	10.9
180.14597	12.7
181.14932	9.4
187.14833	9.3
191.14381	5.2
233.22600	5.7
243.21054	32.6
257.99194	2.8
261.22119	80.1
262.22476	8.1
278.21939	3.0
279.22577	4.6
335.25760	5.1
337.96634	2.8
353.26245	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	4.7
55.01865	2.0
55.05499	16.0
57.03425	6.2
57.07060	5.7
65.03948	2.3
67.05493	97.2
68.05818	2.3
69.07053	15.2
69.55552	8.2
69.55975	2.5
71.04974	2.2
71.08619	5.0
75.01688	1.0
75.04480	1.4
76.63094	1.2
79.05478	55.9
80.05816	1.3
81.07042	100.0
81.98096	1.0
82.07355	2.6
83.04956	1.7
83.08604	9.2
83.23258	1.0
85.06548	4.8
85.10156	2.2
86.08563	1.1
91.05463	27.9
92.05798	1.3
92.84290	1.0
93.07027	69.2
94.07354	2.4
95.04955	4.6
95.08590	78.7
96.08936	2.0
97.06516	5.5
97.10142	3.2
99.08076	4.6
100.39056	1.1
105.07013	23.1
107.08572	43.3
108.08936	1.6
109.06494	2.3
109.10140	28.4
111.08049	2.7
113.09615	2.9
117.06998	11.0
119.08558	16.8
119.13956	1.1
120.08923	1.2
121.09247	2.2
121.10119	34.5
121.10975	2.1
122.10461	1.5
123.08026	2.2
123.11686	12.8
125.09645	1.2
129.07011	1.4
131.08549	25.4
133.10120	12.8
135.07991	1.3
135.10645	1.4
135.11665	24.8
136.12038	1.4
137.09589	1.8
137.13220	8.4
145.10098	18.4
147.11668	14.5
149.13240	25.0
150.13641	1.2
151.14804	3.8
153.12692	1.6
159.11667	13.4
161.13251	9.2
163.11180	2.3
163.14813	19.4
165.12778	1.5
165.16391	1.3
171.11690	1.6
173.13231	16.9
175.14803	3.9
177.12714	2.4
177.16408	8.6
179.14430	1.2
187.14819	10.3
191.14345	1.5
201.16402	3.2
205.15906	1.1
215.17903	1.9
219.17197	1.4
233.22581	7.6
243.21051	33.5
244.21326	1.7
256.21136	1.1
261.22104	79.6
262.22476	5.3
263.95953	1.1
271.54520	1.0
279.23056	2.1
335.25754	11.7
336.26157	1.6
353.26920	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	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	2.6
53.37564	1.3
55.05500	14.2
57.03424	5.0
57.07063	5.1
60.49197	1.1
65.03932	3.4
65.36607	1.2
66.17297	1.4
66.91543	1.3
67.05497	98.2
68.05840	1.3
69.07063	15.3
71.04971	3.1
71.08611	5.4
71.15359	2.2
72.56595	1.4
76.09267	1.1
79.05484	56.4
79.38507	1.1
81.07045	100.0
82.07361	3.0
83.04951	1.7
83.08599	7.9
85.06526	5.9
85.10166	2.6
91.05468	28.6
93.07034	69.9
94.07348	1.8
95.04955	6.7
95.08595	80.9
96.08943	1.8
97.06528	4.2
97.10159	3.5
99.08073	8.7
102.07587	1.2
105.07014	24.4
106.07403	1.3
107.08576	42.4
108.37296	1.4
109.06510	2.8
109.10142	28.5
111.08074	2.5
113.09631	4.3
117.07008	12.5
119.08564	17.1
121.10129	31.9
122.01611	1.1
122.10416	1.6
123.08035	1.7
123.11681	16.0
125.09604	1.5
129.07037	1.3
131.08551	24.3
133.10117	13.1
135.10645	1.9
135.11678	28.8
135.12613	1.0
137.09598	1.3
137.13222	8.1
145.10088	20.3
147.11670	13.6
149.09637	2.3
149.13243	25.2
151.11148	1.9
151.14813	3.6
152.77736	1.4
153.12682	1.6
156.19536	1.2
159.11665	13.7
161.13208	10.9
163.11131	3.4
163.14815	20.8
173.13271	16.9
175.14838	6.4
177.12764	2.0
177.16377	7.3
179.14220	1.6
187.14804	9.6
201.16400	2.4
205.15828	2.0
233.22591	8.4
243.21069	32.7
244.21399	2.3
261.22110	80.6
262.22449	5.6
279.23132	3.8
335.25793	12.5
353.26880	8.0
368.56543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.1
55.05498	26.4
56.05831	9.1
57.03425	12.3
67.05495	96.2
68.05830	15.5
69.07053	19.1
70.91561	3.4
71.08620	3.7
71.70573	5.0
79.05479	94.1
80.05812	26.3
81.07043	93.8
82.07378	22.0
83.04946	5.9
83.08598	12.5
85.06533	5.6
91.05460	54.6
91.26275	3.2
92.05776	17.9
93.07033	100.0
94.07361	39.6
95.04955	8.0
95.07693	8.5
95.08596	62.8
96.08920	18.4
97.06489	5.5
97.09269	5.1
105.07018	58.7
105.86027	3.8
106.07341	30.0
107.07758	7.6
107.08577	57.2
108.08912	23.6
109.09333	5.9
109.10117	27.4
110.10464	6.4
111.08055	3.4
117.07002	16.7
118.07352	5.6
119.08558	41.7
119.34727	3.7
120.08910	24.3
121.09231	9.5
121.10127	44.9
122.10452	23.7
123.10852	6.5
123.11712	12.7
129.07021	7.0
129.30096	3.6
131.08563	25.3
132.08894	10.8
133.09241	6.7
133.10118	29.1
134.10451	26.6
135.10785	7.6
135.11676	36.0
136.12016	17.9
137.12358	7.0
143.08466	5.0
144.08871	3.9
145.10144	19.5
146.10440	10.2
147.10782	6.1
147.11687	28.0
148.12029	22.5
149.12285	8.8
149.13333	20.4
150.13557	12.9
157.10173	6.6
159.11679	17.3
160.12006	9.5
161.13309	20.6
162.13545	16.9
163.13687	4.3
163.14822	13.5
164.15169	4.5
171.11700	6.8
172.12050	6.6
173.13264	12.7
174.13574	4.8
175.14819	12.4
176.15135	11.6
177.12775	4.8
177.16576	4.5
185.13210	4.4
186.13582	6.2
190.13174	3.4
217.19498	4.5
224.91559	3.4
233.22118	5.2
241.19553	9.8
242.19800	12.3
243.20261	26.7
259.20593	19.1
259.22961	3.4
260.20853	31.7
261.21494	79.2
278.21835	4.7
279.22263	14.2
335.24829	7.7
339.85803	3.6
353.13513	6.6
353.25873	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05501	13.8
57.03428	3.8
57.07066	4.1
57.34529	1.1
57.74557	1.5
59.04992	1.8
65.03938	3.3
67.05495	94.4
69.07053	13.7
69.70485	1.3
69.97234	7.1
71.04983	3.7
79.05479	48.3
81.07042	97.4
82.07363	2.6
83.08611	7.5
85.06538	1.7
91.05464	25.1
91.06028	1.5
93.07031	60.4
94.07337	1.7
95.04939	4.4
95.08595	66.7
96.08959	2.4
97.06510	2.2
97.10162	3.7
98.21404	1.5
99.08091	2.1
105.07015	16.6
107.08575	40.0
108.08904	2.3
109.06488	1.4
109.10138	38.9
110.10466	1.3
111.08098	2.1
117.06999	11.7
119.08570	16.7
121.10122	31.0
123.11691	19.3
125.09641	1.9
131.08549	24.1
133.10118	15.3
135.11662	26.7
135.12639	2.1
137.09636	2.1
137.13222	9.4
145.10115	15.1
146.20290	1.3
147.11688	12.4
149.13255	23.0
151.11211	1.7
151.14783	2.6
153.12711	2.6
159.11688	16.6
161.13213	10.5
163.14778	13.6
173.13248	19.6
175.14743	3.3
177.16362	3.7
187.14789	8.7
201.16370	3.7
219.17416	1.5
233.22641	3.7
243.21036	25.0
243.23239	2.1
244.21477	2.5
261.22104	100.0
262.22491	6.3
279.23175	3.7
335.25763	6.5
353.26807	24.6
354.26981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03910	2.5
55.05504	13.6
57.03419	7.1
57.07074	2.8
65.03932	3.5
67.05494	90.5
69.07046	10.9
71.04970	2.5
79.05481	37.6
81.07041	100.0
83.08591	7.1
89.86552	1.7
91.05469	19.6
92.30846	1.8
93.07031	51.4
95.04949	2.5
95.08003	4.2
95.08595	68.2
97.06492	4.0
97.10143	3.6
98.21466	3.7
105.07025	14.8
107.08581	34.3
109.06502	3.2
109.10137	36.8
117.06963	6.3
119.08566	13.4
121.10130	28.5
123.11696	22.3
131.08556	19.7
133.10118	11.8
135.11690	25.5
137.09534	2.4
137.13264	7.5
145.10101	10.2
147.11664	11.3
149.13229	14.8
151.11148	2.7
159.11629	13.5
161.13252	8.5
163.11212	2.5
163.14774	12.4
173.13223	14.0
175.14755	2.4
177.16409	2.8
178.59109	2.3
187.14806	8.5
201.16417	2.6
202.19849	2.0
207.93649	1.9
232.77632	1.9
233.22551	5.3
243.21088	19.5
252.13467	2.1
261.22101	80.5
262.22458	4.6
271.60428	1.9
279.19940	2.1
279.23108	5.2
335.25735	10.0
353.26794	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	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03918	3.2
55.05509	13.3
56.28464	2.5
57.03428	5.5
57.07058	7.3
59.20061	2.9
62.09128	2.3
67.05498	84.4
69.07059	13.6
71.04975	3.4
71.08601	4.1
79.05030	3.3
79.05487	62.8
81.07050	94.4
83.08606	8.2
85.06532	2.5
85.73502	2.6
91.05461	22.2
93.07034	81.1
95.04947	6.6
95.08004	5.0
95.08597	85.2
97.06532	4.5
97.10137	4.8
99.08072	4.2
105.07019	26.9
107.08574	42.5
109.10137	33.2
111.08047	4.6
113.09587	4.3
117.07031	13.2
119.08610	13.6
121.10141	34.6
123.11684	12.5
131.08560	29.9
133.10155	14.1
135.11687	29.5
137.13214	7.4
141.08926	3.0
145.10091	18.4
147.11679	12.1
149.13255	26.1
155.26532	2.8
159.11682	13.2
161.13263	7.6
163.14841	17.6
173.13222	19.4
175.14806	6.3
177.16399	9.9
187.14793	11.9
188.13651	2.6
196.01118	3.2
201.16365	3.4
227.01547	2.9
233.22612	4.5
243.21030	34.9
246.91945	3.2
261.19275	5.8
261.22113	100.0
262.22427	3.8
266.86792	3.2
270.38080	2.8
279.23022	3.7
335.25629	5.4
336.26242	3.1
353.26779	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.5
55.05496	10.2
57.03427	5.5
57.07062	6.6
65.03921	2.8
67.05138	5.5
67.05495	95.5
69.07053	14.6
69.98680	13.6
71.08590	4.2
79.05481	51.1
81.07045	100.0
83.08607	5.4
85.06526	5.6
90.03437	2.0
91.05463	23.9
93.07031	64.8
95.04957	4.8
95.08588	72.1
95.09197	3.7
97.06519	2.7
97.10158	4.9
98.20763	3.4
99.08102	5.4
99.91451	2.0
105.07032	19.3
107.08574	40.6
109.10131	30.2
111.08071	3.1
112.72071	2.4
117.07012	8.9
119.08546	11.2
121.10114	33.2
123.11684	13.9
131.08540	23.4
133.10118	14.3
135.11667	19.5
137.13226	8.5
145.10114	16.7
147.11681	14.2
149.13240	21.4
151.14832	4.0
159.11671	10.0
161.12115	2.5
161.13156	13.6
163.14804	17.3
165.12599	3.1
173.13190	17.3
177.16391	7.0
181.46902	2.4
187.14751	12.4
201.16336	2.9
233.22598	4.8
243.21063	25.4
244.21474	2.8
244.32576	2.4
261.22107	66.8
261.24728	4.8
262.22443	5.8
273.16507	2.3
279.23267	4.9
335.25769	10.0
353.26663	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	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	1.8
55.05243	1.0
55.05500	14.1
57.03433	4.3
57.07066	5.0
65.03935	1.6
67.05492	96.1
68.05831	0.9
69.07054	13.9
71.04974	1.9
71.08619	1.6
75.04443	1.3
77.03907	1.0
78.99689	0.8
79.05477	40.7
81.07041	100.0
82.07355	1.7
83.08607	7.9
85.06516	2.6
91.05459	19.0
92.05770	0.8
93.07028	54.4
94.07348	0.9
95.04921	3.3
95.08588	70.9
96.08914	0.8
97.06506	2.0
97.10135	3.3
99.08075	3.1
105.07015	15.6
107.08577	32.6
109.06491	2.0
109.10138	36.3
110.10441	0.9
111.08072	1.4
117.06993	8.4
119.08553	13.2
121.10116	26.3
123.08053	1.2
123.11689	20.5
125.09575	1.5
131.07549	0.9
131.08534	18.0
133.10098	11.9
135.11665	23.7
135.12654	1.8
137.09610	1.7
137.13240	8.9
145.10081	13.6
147.11667	11.2
149.09572	1.1
149.13231	18.0
151.14748	2.4
159.11665	11.6
160.11931	1.0
161.13220	8.7
163.11125	2.0
163.14793	11.6
165.12727	1.6
173.13211	15.0
173.14615	1.5
175.14799	2.7
177.12646	1.3
177.16356	4.3
187.14780	11.1
191.14227	1.5
201.16371	2.4
205.15813	1.4
219.17378	1.2
222.34348	0.8
229.37923	0.9
233.22652	3.5
243.21040	20.9
244.21407	1.3
248.81989	0.8
261.22101	74.0
262.22409	4.6
263.23602	1.2
279.23196	6.1
311.22296	1.0
335.25778	9.1
353.26736	18.2
354.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01862	0.7
55.05500	15.8
57.03428	6.4
57.07069	4.6
65.03925	2.9
67.05492	95.6
68.05827	2.4
69.07053	14.9
71.04987	2.7
71.08615	1.5
75.04471	1.4
79.05478	38.8
80.05818	1.2
81.03420	0.6
81.07041	100.0
82.07372	2.6
83.04964	1.3
83.08604	7.4
85.06535	2.3
85.10187	0.6
91.05462	19.3
92.05778	0.7
92.17636	0.6
93.07028	55.9
94.07355	1.3
95.04945	3.2
95.08588	71.8
96.08952	1.2
97.06515	3.8
97.10145	3.9
98.21404	1.2
99.08074	3.0
105.07010	14.8
105.07714	0.8
107.08577	32.6
108.08906	1.6
109.06527	1.1
109.10133	36.1
111.08079	1.7
111.11729	0.6
113.09623	1.6
117.07007	7.8
119.08549	11.8
120.52469	0.5
121.10125	29.5
123.08041	1.8
123.11685	17.4
124.12017	1.2
125.09557	1.0
129.06996	0.8
131.08542	19.9
133.10106	12.4
133.11015	1.0
135.08052	0.6
135.11670	23.6
136.11975	1.0
137.09584	1.8
137.13226	8.5
139.11189	0.9
140.06589	0.5
145.10106	14.3
146.10449	0.6
147.11653	9.4
149.09634	0.9
149.13229	17.6
150.13646	0.7
151.11176	1.5
151.14806	1.9
153.12756	1.8
159.11670	12.3
160.12033	0.6
161.13217	7.3
163.11180	0.9
163.14790	10.7
164.15149	0.8
165.12691	0.9
165.16330	0.6
171.11838	0.5
173.13229	15.0
174.13478	0.7
175.14792	2.3
177.12714	1.1
177.16380	4.2
179.14291	1.4
187.14781	9.1
189.16388	1.3
191.14238	1.5
192.50386	0.6
201.16373	2.5
202.46831	0.5
205.15839	1.6
215.17929	0.8
219.17491	1.2
233.22586	2.8
243.21034	17.6
244.21378	1.4
261.22092	78.0
262.22437	5.0
263.23651	0.6
279.23193	6.8
335.25726	9.3
336.26053	0.9
353.26782	20.7
354.27127	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.8
67.05499	41.6
69.07059	57.7
71.71593	12.3
79.05495	34.0
81.07050	47.3
83.08596	11.7
91.05461	38.7
93.07030	56.0
95.04948	23.3
95.08593	100.0
95.39371	5.2
97.06501	6.3
105.07008	56.5
107.08582	59.1
109.06490	9.0
109.10113	31.2
111.08055	43.6
117.07008	10.8
119.08565	98.0
121.06493	10.0
121.10144	68.7
123.08121	7.7
123.11677	19.4
128.06232	5.9
129.06964	9.5
131.08543	30.7
133.10100	52.1
133.61244	7.0
135.08028	20.6
135.11674	18.7
137.05966	87.0
137.13237	7.7
139.07533	10.2
142.07722	12.8
143.08516	19.3
145.10092	35.8
147.08057	15.7
147.11671	28.3
149.09590	17.4
149.13239	12.1
153.25046	5.3
155.08556	15.0
156.09389	5.6
157.10136	38.5
159.08049	19.2
159.11682	25.6
160.12434	5.7
161.09595	12.8
161.13255	20.7
169.10092	19.9
170.10800	8.4
171.11656	20.1
173.13225	13.8
175.11308	8.8
175.14789	16.6
177.09102	7.5
177.16360	39.0
182.10905	8.1
183.11668	20.8
185.13219	12.2
187.14857	11.7
189.16353	29.9
193.10178	8.6
195.11697	10.0
197.13214	8.7
198.14029	8.2
199.47800	5.8
201.16434	8.9
211.11217	6.9
211.14722	15.5
225.16434	8.0
227.17888	6.5
239.17805	9.6
254.20348	8.6
261.22098	17.8
265.35693	6.3
353.24579	44.9
365.47052	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	1.3
55.05494	4.0
60.04502	1.2
67.05495	8.7
69.03408	1.6
69.07043	2.8
71.70322	1.5
77.00900	1.5
79.05492	5.5
80.05005	1.3
80.32497	1.1
81.03407	2.3
81.07057	8.3
83.05014	1.2
83.08597	3.1
91.05463	4.3
92.92760	1.0
93.07043	6.2
94.06521	1.0
95.01945	1.0
95.04942	1.8
95.08597	5.2
97.06506	1.5
99.08057	0.9
105.07024	3.7
106.07268	1.2
107.04938	1.4
107.08572	3.3
108.08830	0.9
109.02869	1.7
109.10136	3.0
117.07009	1.7
119.08562	4.0
121.06567	1.1
121.10133	2.1
123.08018	1.1
125.09605	0.9
131.08508	1.7
131.60516	1.1
133.10115	2.1
135.07999	1.2
135.11688	1.5
135.63643	0.9
137.05989	0.9
145.10100	2.5
147.11665	1.5
159.11685	1.5
163.11198	1.7
177.12672	2.4
191.06995	1.4
213.09723	1.2
215.11272	1.8
218.91290	1.0
225.16545	1.4
231.10751	3.4
243.14377	1.4
248.39944	1.1
253.12814	1.3
261.09058	1.5
271.13898	2.5
276.20450	1.8
276.23315	1.5
289.08539	2.0
293.11649	1.3
293.22937	3.3
294.24152	3.0
321.11169	2.5
321.17093	1.0
323.08929	1.2
335.20795	5.0
353.13980	4.6
353.22910	100.0
354.22992	4.7
354.26965	1.4
371.22723	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33502	0.8
53.03933	0.8
55.01855	1.1
55.05491	2.5
67.05487	5.8
69.03407	1.4
69.07059	2.2
70.06553	0.9
71.08595	0.9
71.69753	0.9
78.04674	0.8
79.05479	9.8
79.39440	0.7
81.03392	1.7
81.07040	6.9
83.04980	1.2
83.08611	1.8
91.05474	5.8
93.07023	5.4
95.04933	2.3
95.08590	4.2
96.16420	0.9
103.05444	6.4
105.07015	7.6
107.04943	11.3
107.08575	3.2
108.08117	1.3
109.06477	1.2
109.10114	2.8
115.05428	3.0
117.06992	2.3
118.04142	4.4
119.04907	1.9
119.08560	3.2
121.06458	1.5
121.10117	2.3
123.04436	1.6
123.08086	1.1
123.11667	0.9
124.05195	2.8
125.05952	1.5
128.06198	2.4
129.06946	1.6
130.04099	2.9
131.04892	14.0
131.08525	2.2
132.05713	1.4
133.06445	3.4
133.10110	1.8
135.08054	1.7
135.11647	1.6
137.13200	1.0
141.06989	2.0
145.06438	1.9
145.73474	0.9
146.03551	1.0
146.09596	0.9
147.04390	3.3
147.11665	1.5
148.05122	1.3
149.09613	1.7
152.05257	1.8
153.05534	1.1
153.06876	0.9
156.05698	0.9
159.08000	2.1
160.05142	0.9
161.05954	5.2
162.06709	1.5
164.14159	1.0
165.06961	1.7
167.04901	1.3
167.07011	23.9
168.05714	1.0
171.08009	2.0
173.05956	1.9
175.07576	2.3
176.04681	7.0
177.12721	3.4
178.07692	1.7
178.13254	0.8
179.07042	1.3
179.08582	1.8
180.13828	1.1
181.06418	1.0
184.05170	1.5
187.07449	1.2
188.14206	1.2
189.06900	5.5
190.07767	9.6
191.06996	55.4
191.08432	2.1
192.07507	2.4
194.07097	0.9
199.07448	7.4
201.07007	1.1
202.07744	4.8
203.08534	11.2
204.09196	3.6
205.06541	2.0
205.10080	4.2
206.07214	1.2
207.08044	3.6
215.08546	14.6
216.09084	1.0
217.06482	1.5
218.07231	19.9
219.07980	8.2
220.08659	1.1
221.09570	1.5
222.06743	1.2
222.13025	4.4
229.06497	6.6
230.07278	1.5
231.08011	10.3
232.08830	8.4
233.09560	27.0
234.06668	1.4
234.10114	2.0
235.05605	1.0
235.07520	9.5
237.09094	1.0
242.07211	1.7
243.07980	6.6
244.08835	1.5
245.05910	3.5
246.06728	11.7
247.07454	7.4
248.08231	2.4
249.09038	5.1
250.09850	4.0
251.10530	0.9
255.08054	1.5
257.05969	4.8
258.06757	1.8
259.07492	6.3
260.08289	12.8
261.09067	34.2
262.06436	1.6
262.09683	5.1
263.07010	9.4
263.09674	1.5
264.07593	2.0
265.08514	1.8
265.12140	1.2
271.07376	3.2
272.08203	1.5
273.05539	1.6
273.09027	4.0
274.06155	10.0
275.06912	7.4
275.10489	2.7
276.07584	1.6
277.08618	6.8
278.09262	13.0
279.06927	1.0
279.10013	2.4
288.07709	4.2
289.08548	58.1
290.09283	17.6
291.06476	4.6
291.10025	4.5
292.07147	2.1
292.10593	1.8
293.08340	1.3
293.11621	14.0
293.23111	1.2
295.09616	1.0
303.10156	2.7
305.07983	1.8
306.08768	14.3
307.09555	6.0
321.11163	100.0
322.11624	10.9
323.08966	3.1
325.15869	9.5
338.11380	3.5
353.10187	3.0
353.13791	47.4
353.20810	2.3
353.25058	4.2
354.14133	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	353.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
55.05483	3.6
60.92966	0.9
65.82516	0.9
67.05496	7.4
69.03416	2.0
69.07045	3.0
78.04671	1.1
79.05487	9.8
81.03385	1.5
81.07031	9.4
83.08578	1.3
85.06519	0.9
89.83558	0.8
91.05476	6.6
93.07027	7.6
94.06532	1.3
95.04931	2.0
95.08577	7.0
97.10115	1.4
102.04680	1.2
103.05450	5.2
105.07020	8.4
106.07318	1.0
107.04945	11.8
107.08591	4.8
109.02815	1.0
109.06463	1.8
109.10107	2.8
111.08065	1.1
115.05397	2.9
117.07000	2.3
118.04137	5.5
119.04877	2.1
119.08533	3.6
121.02785	1.0
121.06345	1.1
121.10075	3.7
123.04327	1.5
123.08001	1.0
124.05166	1.3
125.09592	0.9
126.03678	1.1
128.06171	1.9
129.07016	1.1
130.04097	2.3
131.04912	14.3
131.08507	2.8
132.05589	1.5
133.06427	3.6
133.10066	3.1
135.07956	1.1
135.11662	2.5
139.05394	1.1
145.06406	1.6
145.10112	1.0
146.03609	1.5
147.04323	1.7
147.11639	1.6
148.05141	2.1
149.09567	1.5
149.13243	1.0
152.05225	3.7
157.06378	0.9
157.10147	1.5
159.08029	2.1
159.11638	1.2
161.05942	6.2
161.13068	1.5
162.06633	1.3
163.11163	1.4
165.06905	1.5
167.07028	25.0
167.08482	1.4
168.07344	1.0
171.07991	2.0
175.07487	2.8
176.03273	1.4
176.04636	6.6
177.12682	3.4
178.13315	1.0
179.08508	2.6
184.05203	2.0
184.56374	0.9
188.14355	1.0
189.06938	5.2
190.07753	8.8
191.06999	54.5
191.08478	2.5
192.07494	2.7
199.07492	9.0
202.07693	5.7
203.08527	11.5
204.09172	3.1
205.10059	4.1
205.11897	1.0
206.07024	1.1
207.08005	2.9
215.08530	11.5
216.09085	1.5
217.06499	2.5
218.07219	16.7
219.08043	7.0
220.08627	1.6
221.06038	0.9
221.09409	1.9
222.06644	1.0
222.13040	2.6
229.06416	5.8
230.07127	1.3
231.08022	7.8
232.08815	9.5
233.09544	28.3
234.06792	1.5
234.10034	2.0
235.07509	10.2
236.08308	1.1
242.07257	1.3
243.07996	6.6
244.08653	1.5
245.05855	2.2
246.06763	11.3
247.07431	9.4
248.08080	2.7
249.09097	4.9
250.09683	3.6
252.07837	1.2
255.07875	2.7
257.05917	5.2
258.06705	2.4
259.07413	6.8
260.08298	9.2
261.09067	33.8
261.18292	1.0
261.22150	1.1
262.06717	1.2
262.09601	6.0
263.07092	9.2
263.10052	1.4
264.07480	2.1
265.08383	1.9
271.07401	1.9
272.07913	1.2
273.05649	1.2
273.08997	2.9
274.06198	10.8
275.06918	7.6
275.10529	3.5
276.07614	1.8
277.08548	7.4
278.09326	14.2
279.09903	2.2
279.22150	1.5
287.06775	1.6
288.07657	3.0
289.08527	58.0
290.05942	1.3
290.09271	18.3
291.06418	5.0
291.09985	4.4
292.07050	2.7
292.10797	2.0
293.08356	1.6
293.11591	15.6
293.22955	1.7
295.09509	1.9
303.09927	2.4
305.07980	3.0
306.08771	13.8
307.09467	6.7
321.11163	100.0
322.11584	11.2
323.08939	3.2
325.10309	1.3
325.14944	3.2
330.72244	1.0
338.11377	2.4
353.10229	2.5
353.13757	44.4
353.20923	2.1
353.25317	4.5
354.14005	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	352.284
Annotation	Melophlin F
Peak:m/z	Relative Intensity
55.05497	10.8
55.19848	1.8
56.05017	6.3
57.07066	1.9
60.04523	19.4
67.05138	2.9
67.05495	51.3
69.07069	8.6
70.06576	2.8
71.08611	3.8
79.05489	10.9
81.07045	53.9
83.08598	4.6
84.40615	1.8
91.05460	6.2
91.53111	1.8
93.07027	13.5
95.04887	1.8
95.08593	41.2
97.06520	2.8
98.21513	2.6
99.08060	2.5
100.11244	22.9
104.61220	1.7
105.07017	6.2
107.08535	8.5
107.16912	2.1
109.10152	15.2
112.11223	7.3
114.12794	4.5
119.08547	6.5
121.10128	6.9
123.11721	8.4
126.12744	2.5
131.08517	3.7
133.10110	3.3
135.11658	5.2
137.09589	2.2
137.13203	4.3
140.14362	2.5
142.12282	3.0
145.10034	3.2
147.11720	3.1
149.13228	2.5
154.12273	3.3
159.11656	2.9
161.13254	4.1
163.14783	2.6
173.13274	4.6
177.12842	4.2
177.14426	1.8
190.71501	1.8
199.77452	1.7
226.17995	2.6
229.46765	1.7
243.21025	3.5
252.19601	7.8
254.21021	3.5
261.22101	8.3
278.21878	2.2
278.24588	9.6
279.22961	2.2
293.24603	4.5
310.27316	27.4
311.27634	2.6
320.25839	3.8
331.52371	1.7
333.15549	1.7
352.28439	100.0
353.28647	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	351.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
54.91159	3.0
55.05500	22.5
57.07064	3.9
65.55538	3.0
67.05494	39.6
69.03436	5.6
69.07058	57.5
71.04975	12.2
71.21312	10.0
79.05481	35.7
81.07047	68.5
83.04980	5.3
83.08617	14.9
91.05464	56.2
93.07030	73.6
94.07346	4.3
95.04951	26.9
95.08594	69.0
96.08845	3.2
97.06535	18.3
97.10147	4.6
105.07014	91.9
106.07296	3.6
107.08582	51.0
108.20985	3.5
109.06499	12.5
109.10135	39.4
116.06232	3.6
117.07009	19.8
118.91086	3.4
119.08566	100.0
121.06512	8.5
121.10134	46.8
123.08031	7.6
123.11710	16.4
126.88485	3.0
128.06213	11.1
129.06956	9.3
130.07774	7.1
131.08548	50.0
133.10117	51.5
135.08031	14.3
135.11662	15.0
135.90158	3.2
137.13257	8.2
141.07008	5.4
142.07756	14.9
143.08514	26.5
145.06429	4.5
145.10101	49.1
146.07207	8.6
146.10458	3.8
147.07997	6.7
147.11642	27.6
149.09604	8.2
149.13226	4.5
155.08502	7.3
155.92207	3.7
156.09322	10.0
157.10112	39.4
159.11696	27.1
161.09587	48.4
161.13240	12.4
163.11053	3.8
169.10097	10.5
170.10954	5.6
171.11650	14.6
173.09662	4.1
173.13260	13.4
175.11124	8.8
175.14809	15.8
177.16382	13.5
179.08546	5.9
182.06551	3.8
183.11697	10.9
184.12250	4.2
185.13206	17.1
187.14943	6.9
189.16426	6.6
194.10864	7.3
195.11644	6.4
197.13281	8.3
199.10933	3.4
199.14833	16.0
201.16362	7.3
203.17889	6.5
209.13220	12.5
211.14790	7.1
241.19339	5.8
253.19568	4.7
255.21053	7.6
267.21176	4.3
299.80579	3.9
333.25690	5.0
340.37442	3.8
351.26788	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
53.03920	3.0
55.01849	4.8
55.05234	1.4
55.05498	24.5
57.03154	1.7
57.03421	19.8
57.07066	5.0
57.68394	0.9
65.03928	2.8
67.05490	58.3
68.05836	1.4
69.03400	1.6
69.07050	20.9
70.20645	3.0
70.21058	2.1
71.04983	4.8
71.08615	71.2
79.05479	58.2
81.03412	9.2
81.07038	60.7
82.07357	1.4
83.04977	13.4
83.08595	11.5
85.06522	5.0
85.10148	1.5
91.05463	40.1
93.07024	65.7
95.04382	1.7
95.04942	15.0
95.08586	46.4
97.06512	10.0
97.10148	5.2
99.08075	49.1
101.05988	1.2
105.07008	32.4
105.97063	1.0
107.04912	8.2
107.08567	34.6
109.06504	4.5
109.10133	17.9
111.08075	5.6
113.09663	4.8
117.07002	4.9
119.08557	25.2
121.06529	1.5
121.10114	29.7
122.84341	1.2
123.08046	2.7
123.11706	3.3
125.09602	2.6
127.11217	1.3
129.06984	3.6
131.08531	9.5
133.10100	18.9
133.76062	1.0
135.08000	2.1
135.11662	38.8
137.09575	6.1
137.13191	1.1
139.11209	1.4
141.09090	4.0
141.12743	1.4
143.08559	4.7
145.10109	9.2
147.11635	13.9
149.09589	1.4
149.13213	13.0
151.11153	27.2
153.12724	1.3
157.10075	2.9
159.11618	5.4
161.09610	1.3
161.13242	18.3
163.11145	12.6
163.14807	3.3
165.12758	4.2
167.10617	2.3
171.11668	3.5
173.13260	3.6
175.11142	1.8
175.14783	4.0
177.12718	4.3
177.16187	1.0
179.14275	100.0
180.14642	2.5
181.12221	1.2
185.13210	4.8
186.56779	1.0
187.14670	1.5
189.12706	3.4
195.13766	1.6
199.14766	3.5
207.13852	1.7
217.19487	1.3
221.15370	3.1
231.21133	2.7
235.16878	5.5
241.19498	5.2
248.96571	1.0
259.20496	14.5
277.21570	39.9
278.21979	2.5
292.22427	1.2
351.25256	41.6
352.25293	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.5
55.01848	5.1
55.05500	32.8
57.03208	1.8
57.03432	22.3
57.07052	5.0
61.18957	1.7
63.56727	2.0
65.03910	1.9
67.05136	3.5
67.05492	71.5
67.70689	1.8
69.07060	26.7
69.77416	13.5
71.04979	5.2
71.08617	67.8
78.83913	1.6
79.05479	54.2
79.95892	1.9
81.03403	9.9
81.07041	71.3
83.04968	13.7
83.08239	1.6
83.08611	16.3
85.06513	3.8
87.71032	1.9
91.04919	3.1
91.05465	42.6
93.07027	71.3
95.04953	16.6
95.08591	45.3
97.06505	13.9
97.10153	6.8
98.20788	3.6
99.08083	51.9
105.07009	33.7
107.04951	8.2
107.08575	37.8
108.89117	1.6
109.06494	8.7
109.10146	19.9
111.08069	4.8
113.09586	4.9
117.06973	8.3
119.08569	28.2
121.10126	29.8
123.07984	5.3
123.11685	4.6
125.09565	3.6
129.06944	4.2
131.08536	7.4
133.10110	21.7
135.11665	39.4
136.81329	1.9
137.06000	2.4
137.09586	3.3
141.09087	5.4
143.08562	5.1
145.10101	8.6
147.08051	1.9
147.11664	13.2
149.09578	2.1
149.13245	12.7
151.11169	22.8
153.12733	3.6
157.10085	4.2
159.11638	6.3
160.04187	1.6
160.23460	1.8
161.09570	2.4
161.13239	18.6
163.11157	10.9
163.14854	4.5
165.12738	4.9
167.10635	4.1
171.11629	4.3
173.13232	3.3
175.14772	6.2
177.12770	4.9
179.14275	100.0
185.13245	4.4
189.12752	4.2
195.13759	3.2
199.14825	2.4
221.15283	4.3
235.16838	4.7
241.19435	8.1
259.20584	13.6
260.70398	1.6
277.18164	2.6
277.21555	49.2
278.22125	1.9
351.25235	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17070	2.9
53.03942	4.2
55.05505	20.0
57.03430	18.4
57.34344	2.8
64.47874	2.6
67.05501	66.9
67.07408	2.8
69.07069	15.9
71.08626	63.1
79.05483	59.6
81.03419	10.6
81.07047	62.7
83.04961	15.9
83.08600	11.1
91.05468	37.7
93.07037	72.6
95.04963	18.3
95.08596	40.4
97.06537	11.6
97.10170	7.3
99.08092	43.5
105.07021	27.3
107.04943	10.4
107.08572	37.5
109.06498	5.0
109.10184	15.3
111.08086	4.4
114.75538	2.9
117.07008	4.0
119.08557	19.5
121.10164	33.7
121.11006	5.2
123.09633	3.2
133.10155	14.6
135.11681	39.7
135.32964	2.9
137.09641	7.2
141.09073	6.0
143.08594	3.8
145.10130	4.9
147.11714	4.7
149.13257	11.9
151.11142	22.5
161.13228	12.7
163.11163	8.2
163.14801	4.0
177.12738	6.7
177.30501	3.1
179.14285	100.0
230.06741	4.7
235.16907	6.6
249.05096	3.1
259.20578	4.5
277.21588	31.7
342.25247	3.1
351.25275	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.05503	17.6
57.03412	8.4
58.94485	3.1
65.03916	2.8
67.05493	44.2
69.07063	15.9
69.89176	14.3
69.89597	5.8
71.08560	2.8
79.05482	65.2
81.07047	46.8
83.04979	3.6
83.08593	5.7
85.06523	4.2
85.10155	3.1
89.38902	2.3
91.05460	52.3
93.07027	78.5
95.04971	6.2
95.08591	34.5
96.31995	3.0
97.10172	3.1
98.20754	3.3
99.08088	4.2
103.05521	2.5
103.98164	2.3
105.07018	65.7
107.08580	46.0
109.10141	12.9
113.09610	4.3
117.07017	8.2
119.08556	52.9
121.10130	37.0
123.08045	3.0
123.11707	3.4
128.06245	2.7
129.06995	7.8
131.08554	25.3
132.08842	2.5
133.10107	49.5
133.11026	4.3
135.11682	30.9
136.13635	2.4
143.08531	11.4
145.10114	23.1
147.11659	52.9
148.11974	3.7
149.13240	23.5
157.10110	9.4
159.11682	19.4
161.13237	36.4
163.14818	4.1
171.11653	13.6
173.13216	13.4
175.11214	2.8
175.14803	18.5
179.14268	3.2
185.13277	14.3
199.14838	4.7
203.14268	3.2
213.16364	5.2
231.21111	8.3
241.19444	26.4
259.20538	100.0
277.21506	14.4
278.12332	2.8
311.29260	2.9
333.24362	3.1
351.25256	57.2
352.25537	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
55.05501	23.0
57.03415	9.3
58.46070	2.6
67.05188	3.8
67.05495	52.6
69.07063	16.2
70.21798	11.7
79.05482	78.9
80.05813	3.0
81.07046	60.1
83.08607	10.1
85.06520	3.9
91.05470	51.4
93.07030	100.0
94.07336	3.1
95.04946	4.2
95.08591	38.8
99.08096	4.0
105.07019	60.3
105.07710	4.4
107.08586	56.4
109.10146	14.6
117.06999	15.3
119.08572	52.9
121.10123	42.4
123.11722	4.6
129.06941	8.0
131.08542	19.6
133.10114	47.7
135.11652	54.0
143.08521	11.0
145.10097	23.1
147.11664	59.2
149.09669	4.3
149.13248	26.2
157.10143	8.4
159.11662	17.8
161.13220	40.8
163.11151	3.3
163.14815	11.4
171.11597	16.2
173.13228	8.7
175.14793	16.2
185.13228	13.1
189.12779	4.4
199.14816	4.5
203.14227	3.4
213.16383	5.2
231.21092	9.5
241.19464	38.4
259.20538	96.6
260.20786	4.1
277.21625	18.8
333.24127	10.1
351.25244	55.8
352.25726	4.7
369.36557	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	1.9
53.03925	5.5
55.01862	68.9
55.05504	38.7
57.03425	16.6
57.07064	10.1
67.05493	58.4
69.03428	2.2
69.07054	20.7
70.21194	8.2
70.21593	4.4
71.04990	2.2
71.08616	15.1
78.83606	2.1
79.05477	36.6
81.03384	4.8
81.07041	59.4
83.04963	12.6
83.08602	20.9
84.04695	2.1
85.06501	3.3
85.10167	12.5
87.44112	1.8
91.05468	34.5
93.07022	40.1
95.04958	12.6
95.08007	2.9
95.08589	46.3
97.06496	12.5
97.10151	5.1
99.08081	12.5
105.07014	27.6
107.04936	6.3
107.08577	21.8
109.06466	9.9
109.10133	17.1
111.08063	70.0
113.09636	18.5
117.06992	5.4
117.47124	1.9
117.96475	1.8
119.08550	19.2
121.10101	14.5
123.08039	6.1
123.11676	6.8
125.09651	2.1
129.06973	2.8
131.08539	7.4
133.10103	22.9
135.11674	14.0
137.09552	2.3
137.13210	4.4
143.08549	3.5
145.10071	5.3
147.11647	14.2
149.09569	3.5
149.13228	9.8
151.11148	16.3
153.12714	6.0
157.10088	4.7
159.11624	5.3
160.50391	2.1
161.13257	10.9
163.11160	5.6
163.14716	2.5
165.12692	15.8
171.11682	4.0
173.13266	2.8
175.11111	3.2
175.14838	4.9
177.12704	3.5
179.14278	12.2
181.12123	3.4
185.13206	3.9
189.12852	2.3
193.12175	3.9
193.15868	1.9
203.14287	2.2
207.13823	3.3
217.19731	2.2
221.15375	5.4
231.21017	8.8
241.19432	5.7
243.23904	2.1
249.22142	14.9
259.20459	15.2
277.21564	100.0
278.21970	4.7
291.56421	2.0
295.22687	6.8
351.25253	52.6
352.25342	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.8
53.10499	2.1
55.01852	6.1
55.05501	38.4
57.03426	20.8
57.07066	6.6
65.03920	3.4
67.05493	100.0
69.03440	2.3
69.07058	32.2
69.61070	14.0
69.61482	3.1
71.04967	5.8
71.08621	65.5
71.09016	3.2
79.05481	57.9
81.03399	15.5
81.07043	68.3
83.04968	14.7
83.08609	14.4
85.06519	5.2
91.05470	39.1
93.07030	61.3
95.04952	19.4
95.08595	41.2
97.06508	8.2
97.10165	17.7
99.08080	52.9
104.99391	2.0
105.07011	34.1
107.04919	6.2
107.08574	46.0
109.06494	8.8
109.10138	30.4
111.08049	7.0
113.09621	6.0
117.06989	8.8
119.08569	25.5
121.10111	22.5
123.08056	3.1
123.11710	6.2
125.09581	10.3
129.06946	4.2
131.08527	9.3
133.10117	22.3
135.08018	4.8
135.11690	23.8
137.09604	3.4
137.18686	2.3
139.07413	2.1
143.08530	4.3
145.10114	13.9
147.11673	18.6
149.09546	2.6
149.13243	15.1
151.11143	33.7
153.12804	3.3
155.10649	2.3
157.10127	3.5
159.11691	7.0
161.09563	3.0
161.13271	20.0
163.11166	12.0
163.14824	6.7
165.12737	9.1
166.55092	2.1
171.11664	7.9
173.11774	2.8
173.13222	4.5
175.11194	3.0
175.14833	7.7
177.12727	4.5
179.14287	21.5
185.13165	4.6
189.11188	6.5
189.16385	3.7
199.14836	4.4
207.13815	3.1
217.19473	2.7
221.15297	3.6
231.21107	6.0
238.38263	2.0
241.19453	12.5
241.48575	2.1
249.22095	3.6
259.20572	11.5
277.21606	60.1
278.21948	3.2
351.25256	57.4
352.25461	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40577	1.4
53.03931	2.5
55.01851	2.5
55.05500	14.1
57.03431	3.9
57.07056	3.9
65.03928	3.0
67.05138	2.4
67.05492	45.9
69.07056	12.0
70.45888	5.9
71.04963	4.2
71.08600	3.4
73.52814	1.7
75.04472	2.0
79.05479	60.3
81.07043	45.0
82.07346	2.2
83.04954	2.7
83.08589	5.3
85.06519	2.9
91.05463	54.7
93.07029	71.8
94.07307	2.1
95.04950	6.2
95.08591	36.9
96.08900	1.6
97.06491	2.4
97.10121	3.3
98.20719	1.9
99.08089	8.8
104.24301	1.6
105.06332	3.7
105.07010	63.1
107.08570	40.9
109.06508	2.2
109.10124	13.7
111.08090	2.6
117.06994	16.4
119.08554	61.0
121.10118	34.8
123.08037	2.5
123.11672	3.6
129.07005	8.6
130.07761	1.8
131.08560	18.9
133.10107	48.6
134.10446	3.1
135.11662	35.3
143.08539	12.9
145.10107	23.2
146.10425	2.3
147.11655	52.5
149.09605	3.4
149.13223	22.2
151.11186	3.6
157.10086	11.1
159.11679	17.0
161.09624	2.1
161.13225	40.4
163.11151	4.9
163.14815	10.0
171.11716	12.2
173.13243	13.2
175.11249	2.4
175.14769	20.6
176.15251	2.6
177.12785	2.1
179.14330	2.2
185.13264	11.1
187.14783	3.5
189.12793	2.3
189.16345	2.0
199.14766	8.6
203.14412	2.4
213.16362	5.7
217.19531	3.2
231.17462	4.1
231.20988	10.8
241.19470	35.1
259.20538	100.0
260.20874	5.2
277.21545	7.1
333.24023	3.3
351.25238	62.1
352.25797	3.0
357.97009	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
54.41233	0.8
55.01863	2.1
55.05505	18.3
57.03428	11.2
57.07076	4.7
65.03914	1.9
67.05495	51.7
69.03418	0.9
69.07056	16.8
69.55314	1.0
70.03606	5.6
71.04971	3.4
71.08614	3.8
75.04463	3.0
77.03895	1.0
79.05481	70.1
80.05798	1.8
81.03407	2.3
81.07044	58.2
83.04955	3.6
83.08609	8.5
85.06528	3.9
91.05464	57.5
93.07030	100.0
94.07374	1.2
95.04949	7.5
95.08591	40.3
95.09197	2.0
97.06522	2.9
97.10158	3.0
98.20756	1.2
99.08088	5.3
101.97824	0.9
105.04559	2.1
105.07012	55.3
106.07321	1.4
107.04994	1.3
107.08578	54.6
109.06491	2.9
109.10137	16.9
111.08057	2.2
113.09617	2.0
115.05394	1.4
117.07010	13.4
119.08559	57.5
120.08932	1.8
121.10126	44.0
123.08018	2.2
123.11671	4.4
128.06189	1.5
129.06985	8.0
130.07748	1.0
131.08543	22.3
133.10109	44.8
134.10493	1.4
135.08006	2.8
135.11668	43.3
137.09601	1.6
137.13229	1.0
143.08539	8.7
145.10107	20.7
147.11665	47.3
148.12019	1.7
149.09595	3.8
149.13232	24.1
151.11125	2.4
157.10132	8.7
159.11671	21.3
161.09602	2.0
161.13237	34.9
162.13620	1.3
163.11160	3.6
163.14830	11.2
165.12706	1.3
171.11678	15.0
173.13239	11.5
175.11208	3.4
175.14806	15.7
177.12735	2.5
177.16245	1.3
179.14255	5.3
181.12291	1.1
185.13249	13.5
187.14787	3.5
189.12778	3.4
189.16351	1.9
191.14258	1.4
199.14812	10.4
201.16451	1.6
203.14301	3.4
213.16379	4.7
215.17964	1.1
217.15889	1.7
217.19443	4.7
221.15315	2.0
231.17441	3.1
231.21060	8.3
241.19482	34.9
244.11069	1.1
259.20538	90.4
260.20895	2.3
277.21594	16.5
333.24249	7.5
351.25250	52.4
352.25571	2.0
363.21109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01846	2.7
55.05508	16.4
57.03421	6.9
57.07067	2.6
65.81890	1.6
67.05145	2.9
67.05495	42.6
69.07070	12.3
69.43906	5.9
69.44315	14.0
71.04972	4.3
71.08607	3.9
71.67992	1.6
79.05479	53.5
81.06602	3.6
81.07046	44.2
81.21143	1.7
83.08608	6.6
85.06536	4.5
89.43063	1.7
91.05468	60.5
91.32829	1.6
93.07029	73.0
95.04935	6.5
95.08598	31.8
97.06529	4.4
97.10104	2.1
99.08077	6.9
105.07011	58.3
107.04967	1.9
107.08582	41.5
109.06481	3.7
109.10172	11.8
117.07007	15.1
119.08559	61.2
121.10126	35.2
123.11655	3.8
129.06999	10.4
131.08543	22.5
133.10106	48.1
135.08063	2.3
135.11670	30.6
143.08549	9.1
145.10121	22.3
147.11662	47.9
149.13240	17.6
151.11172	2.4
157.10114	10.1
159.11681	18.4
161.13231	42.8
163.11131	4.2
163.14825	7.5
171.11664	14.6
173.13240	11.7
175.11214	2.5
175.14801	22.8
177.12704	2.8
184.12314	1.9
185.13251	12.1
187.14771	3.9
189.12717	3.9
189.16415	2.1
199.14798	8.5
201.16440	2.4
203.14284	2.6
213.16344	4.5
215.17955	2.4
217.15858	2.6
217.19466	5.7
231.17413	2.6
231.21051	8.8
241.19472	36.5
248.93111	2.0
259.20538	100.0
260.21072	3.9
261.22147	2.0
275.20010	2.1
277.21536	6.4
333.24240	4.1
351.21277	2.9
351.25275	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05502	16.3
57.03423	8.8
57.07050	3.9
61.49424	1.6
65.03928	1.9
67.05142	2.8
67.05491	48.6
69.07052	15.2
69.55743	14.9
69.56066	3.5
70.06609	1.5
71.04987	2.4
75.04440	2.0
79.05479	61.4
81.07040	59.7
83.04984	1.6
83.08618	8.4
85.06523	5.0
91.05463	51.1
92.05759	1.4
93.07026	83.0
94.98965	1.6
95.04936	5.2
95.08584	36.9
97.06512	3.4
97.10145	3.9
98.20728	3.6
99.08073	6.3
105.07011	56.4
105.07719	2.7
107.08572	49.7
109.06486	2.3
109.10144	13.0
115.42118	1.6
117.06998	12.5
119.08562	58.0
120.61591	1.6
121.10127	41.4
123.07999	2.0
123.11690	4.2
125.09586	1.6
126.86208	1.6
129.06989	8.6
130.51176	1.5
131.08528	23.1
133.10103	51.4
135.08018	2.2
135.11673	46.1
137.05885	3.0
137.09584	2.6
140.76413	1.7
143.08511	7.8
145.10101	20.2
147.11661	51.7
149.09615	2.2
149.13223	29.2
157.10095	9.3
159.11671	22.9
161.09633	2.2
161.13246	47.1
163.11166	3.1
163.14758	11.0
165.12697	1.7
171.11661	15.2
173.13261	12.0
175.11203	3.0
175.14798	22.8
177.12767	3.5
185.13211	13.7
187.14752	3.4
189.12680	3.7
189.16269	2.0
199.14812	8.9
201.16418	1.9
203.14252	2.0
213.16356	5.1
215.17943	2.7
217.15842	2.7
217.19514	6.8
221.15472	2.3
231.17496	3.8
231.21080	13.2
241.19460	41.3
259.20535	100.0
260.20813	3.8
277.21512	14.2
333.24234	10.5
351.25247	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	351.2314
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03938	6.5
55.01861	5.8
55.05503	20.1
57.03432	4.1
57.07054	4.9
65.16149	3.6
67.05498	45.7
69.07060	22.6
71.04971	4.4
71.08620	9.3
79.05489	43.2
81.07047	58.6
83.04977	5.9
83.08602	10.2
91.05452	42.8
93.07034	64.3
95.04962	15.6
95.08597	43.4
97.06509	10.8
97.10185	3.3
99.08085	7.9
105.07011	67.8
107.04936	4.7
107.08582	49.0
109.06508	10.5
109.10151	35.6
111.08060	12.5
117.07027	13.0
119.08561	78.3
121.10133	75.8
122.10509	4.0
123.08070	8.0
123.11689	11.3
128.06232	10.4
129.06979	11.2
130.07785	6.1
131.08551	36.9
133.10121	42.5
135.07999	6.6
135.11682	28.1
137.05962	26.7
141.06993	4.1
142.07741	13.7
143.08542	31.1
144.09294	5.6
145.10094	52.4
147.08031	4.7
147.11646	28.4
149.09590	6.8
149.13234	10.5
151.11212	7.4
153.07043	5.5
155.08514	12.3
156.09296	10.0
157.10121	43.3
158.10947	6.8
159.08011	6.1
159.11693	33.0
161.09631	3.6
161.13234	23.1
163.11194	11.7
163.14824	4.2
167.08594	9.3
168.09390	4.0
169.10062	19.6
170.10973	4.2
171.11674	25.7
172.12354	5.2
173.09563	4.9
173.13245	25.5
175.11217	4.0
175.14798	11.9
179.08559	6.2
179.14331	13.2
180.09131	3.8
181.10088	14.0
182.10849	7.2
183.11659	19.2
185.09586	4.6
185.13200	18.6
187.14804	23.2
189.12808	6.4
191.10664	5.1
192.09360	3.1
193.10124	7.3
194.10870	3.7
195.11705	14.6
196.12366	7.0
197.13220	22.0
199.11021	3.5
199.14879	12.3
200.15515	4.6
201.12538	4.0
207.11723	9.4
208.12485	3.6
209.13113	18.0
210.13852	4.0
211.11160	6.3
211.14812	13.1
213.12614	5.4
213.16388	7.1
221.13248	10.2
222.14040	5.6
223.11226	4.9
223.14874	14.7
225.16415	10.6
229.12192	8.7
237.16374	9.5
237.51242	3.2
239.18013	6.7
241.19534	7.8
244.73245	3.1
251.17882	6.6
252.18779	6.7
259.20520	23.2
265.19470	13.6
277.15884	5.8
277.21631	12.8
280.21896	6.0
281.15277	3.5
295.16882	9.4
305.22635	5.9
309.22055	3.9
323.23730	4.8
333.22092	16.1
351.22891	100.0
352.23627	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	351.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.6
55.05481	1.8
56.05011	1.8
56.96267	1.7
56.96552	30.8
58.99827	1.9
60.95832	2.4
61.02900	3.2
62.51699	1.5
69.03427	2.4
69.73951	11.6
70.06573	3.2
70.98128	1.5
81.28306	1.4
84.04473	3.9
84.08109	5.3
84.96005	6.2
85.02863	5.0
88.99116	2.2
97.02871	3.5
98.97562	100.0
101.00847	3.1
103.02351	3.6
105.03390	1.9
110.07183	1.3
110.97574	5.4
112.99171	1.6
113.00835	2.2
116.98602	67.4
117.03976	2.0
119.01904	13.6
119.04974	1.6
120.08117	1.8
121.01691	1.9
121.03486	3.3
128.98599	12.6
131.00130	2.4
131.01866	6.4
133.03423	2.8
134.99631	31.7
135.03070	1.9
135.89299	1.7
136.06119	2.8
137.02954	2.6
137.05861	1.8
140.00211	3.7
143.01871	3.9
145.01642	3.2
145.03424	12.0
146.55479	1.5
146.99620	14.1
147.01353	3.0
147.03259	3.2
149.01161	1.8
149.02950	3.6
153.00677	4.4
155.01874	3.9
157.03407	4.7
158.01254	2.5
158.99614	36.5
159.05121	2.1
161.01192	3.0
161.02928	8.4
162.03047	1.8
162.99094	4.4
163.02750	4.2
163.04469	2.7
165.00644	5.3
165.04346	1.9
168.05083	2.0
170.99663	3.5
171.01355	6.0
171.03178	3.0
173.02942	6.4
174.99184	2.1
175.02834	1.7
175.04428	1.8
176.99290	1.6
177.00687	46.7
183.01498	3.0
186.99104	1.9
187.04552	1.7
189.00673	4.0
189.02391	16.4
189.04288	13.5
190.02458	1.7
190.98459	1.8
191.03780	1.9
195.01741	5.6
196.01285	3.2
200.02309	3.8
201.02455	2.9
205.00174	3.9
205.01926	2.1
207.03423	5.6
207.05293	3.2
212.05856	2.1
219.01743	12.5
219.05339	2.1
221.05043	2.5
223.01204	4.2
226.02010	2.4
231.03458	34.9
231.05376	1.7
237.02742	25.6
239.06102	1.7
243.03537	13.3
249.04532	6.2
261.04514	3.8
266.02560	1.6
291.07446	26.0
292.07401	1.8
295.06033	1.9
298.02432	2.0
309.08524	74.9
310.08868	2.1
323.05371	2.5
332.10352	9.4
351.04877	16.9
351.09476	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	351.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.2
63.41667	2.2
69.03405	3.7
69.82095	15.7
85.01426	2.8
85.02889	2.9
98.97579	9.1
101.00869	16.9
103.00622	14.6
103.02442	8.9
113.00849	7.8
115.00574	4.1
115.02458	3.2
117.03986	4.3
119.01905	32.3
121.01662	31.9
121.03470	8.7
127.02412	5.1
131.01891	31.1
133.01645	18.7
133.03435	7.0
135.05013	6.1
137.01907	3.3
137.02901	4.0
143.01883	11.7
145.01637	4.9
145.03455	31.8
147.01396	18.0
147.03180	3.4
149.02910	4.3
151.02658	2.5
155.01898	13.4
157.03453	9.2
159.04956	4.9
161.01540	3.0
161.02934	25.8
163.02669	6.5
163.04460	7.3
165.02437	2.2
167.02992	2.4
170.99524	7.6
171.01363	19.0
173.02916	20.0
175.02647	6.1
175.04474	2.4
177.33578	2.4
183.01372	5.2
185.02954	3.6
187.00891	3.2
187.04497	5.5
189.00664	12.8
189.02437	34.2
189.05966	3.1
198.99062	4.3
201.00806	4.3
201.02434	10.8
203.02359	2.9
203.04010	8.9
207.03499	15.7
209.37932	2.7
217.00060	24.2
217.01788	2.9
219.01720	3.2
219.03552	3.3
221.03259	2.7
221.05162	5.1
231.03505	100.0
232.03700	2.2
235.06654	2.9
239.06070	2.5
243.03481	34.2
249.02368	20.3
249.04700	10.1
261.02356	3.6
261.04581	7.2
263.06143	3.0
279.03961	3.5
289.07669	5.4
291.03668	2.3
329.30167	2.2
333.06625	2.8
351.07489	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	351.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.6
55.05481	1.8
56.05011	1.8
56.96267	1.7
56.96552	30.8
58.99827	1.9
60.95832	2.4
61.02900	3.2
62.51699	1.5
69.03427	2.4
69.73951	11.6
70.06573	3.2
70.98128	1.5
81.28306	1.4
84.04473	3.9
84.08109	5.3
84.96005	6.2
85.02863	5.0
88.99116	2.2
97.02871	3.5
98.97562	100.0
101.00847	3.1
103.02351	3.6
105.03390	1.9
110.07183	1.3
110.97574	5.4
112.99171	1.6
113.00835	2.2
116.98602	67.4
117.03976	2.0
119.01904	13.6
119.04974	1.6
120.08117	1.8
121.01691	1.9
121.03486	3.3
128.98599	12.6
131.00130	2.4
131.01866	6.4
133.03423	2.8
134.99631	31.7
135.03070	1.9
135.89299	1.7
136.06119	2.8
137.02954	2.6
137.05861	1.8
140.00211	3.7
143.01871	3.9
145.01642	3.2
145.03424	12.0
146.55479	1.5
146.99620	14.1
147.01353	3.0
147.03259	3.2
149.01161	1.8
149.02950	3.6
153.00677	4.4
155.01874	3.9
157.03407	4.7
158.01254	2.5
158.99614	36.5
159.05121	2.1
161.01192	3.0
161.02928	8.4
162.03047	1.8
162.99094	4.4
163.02750	4.2
163.04469	2.7
165.00644	5.3
165.04346	1.9
168.05083	2.0
170.99663	3.5
171.01355	6.0
171.03178	3.0
173.02942	6.4
174.99184	2.1
175.02834	1.7
175.04428	1.8
176.99290	1.6
177.00687	46.7
183.01498	3.0
186.99104	1.9
187.04552	1.7
189.00673	4.0
189.02391	16.4
189.04288	13.5
190.02458	1.7
190.98459	1.8
191.03780	1.9
195.01741	5.6
196.01285	3.2
200.02309	3.8
201.02455	2.9
205.00174	3.9
205.01926	2.1
207.03423	5.6
207.05293	3.2
212.05856	2.1
219.01743	12.5
219.05339	2.1
221.05043	2.5
223.01204	4.2
226.02010	2.4
231.03458	34.9
231.05376	1.7
237.02742	25.6
239.06102	1.7
243.03537	13.3
249.04532	6.2
261.04514	3.8
266.02560	1.6
291.07446	26.0
292.07401	1.8
295.06033	1.9
298.02432	2.0
309.08524	74.9
310.08868	2.1
323.05371	2.5
332.10352	9.4
351.04877	16.9
351.09476	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	350.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	13.2
56.96544	12.3
61.02969	8.0
62.22781	8.8
63.13515	7.8
65.03935	14.7
70.06583	18.2
70.70630	9.2
71.44106	8.7
71.69104	12.8
84.08128	11.6
84.51444	8.3
84.64951	8.7
85.02885	28.8
86.09680	11.9
98.97583	15.4
111.04414	31.3
112.93534	9.7
113.42323	10.7
116.98601	17.2
132.95779	16.3
139.03874	82.3
150.96880	21.7
152.07059	11.4
161.95538	8.4
164.98380	9.5
171.06502	100.0
177.00674	18.8
177.24051	9.0
193.00169	9.4
195.01665	11.3
233.98291	13.0
262.98523	10.7
266.97342	9.3
273.04138	13.1
306.12149	9.7
351.04691	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03929	0.6
55.01847	1.1
55.05498	4.5
57.03414	1.6
57.07067	4.8
65.70338	0.5
67.05497	6.9
69.06753	0.4
69.07060	4.9
69.36752	5.7
71.04959	0.9
71.08627	2.2
79.05476	6.6
79.06722	0.5
81.07042	10.0
83.04955	0.8
83.08599	1.8
85.06533	3.4
91.05473	4.2
93.07031	6.5
95.04955	3.4
95.08593	7.1
97.06504	1.4
97.10149	0.8
98.20657	0.9
99.08062	1.6
105.07011	5.0
107.04930	1.0
107.08576	6.8
109.06498	18.9
109.10132	2.4
111.08079	1.0
116.45638	0.5
117.07017	0.9
118.43810	0.5
119.08563	4.3
121.10127	2.6
122.07240	1.7
123.08047	26.3
123.11695	0.6
131.08527	2.0
133.10115	2.7
135.07996	3.7
135.11668	1.5
137.09593	1.0
145.10100	3.1
147.11632	1.5
149.09608	2.0
155.08533	0.7
159.11644	1.4
161.13261	1.0
163.11107	0.9
165.12737	1.0
166.51408	0.5
171.11676	0.6
175.11176	0.5
177.12785	0.5
179.14282	100.0
180.14638	2.4
183.11737	0.5
193.15805	2.6
215.14311	0.5
257.18982	1.2
275.20053	3.9
289.25134	0.5
331.26233	2.8
349.23874	3.3
349.27335	69.5
350.27594	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	350.1341
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03921	0.8
55.01849	1.2
57.03433	2.4
59.04979	0.3
60.04512	2.2
61.02914	1.8
67.05477	0.3
69.03416	7.7
69.88921	0.6
69.89336	1.1
70.06576	0.5
71.01335	0.9
71.04979	2.4
73.02892	0.8
79.05463	0.3
81.03422	1.5
88.84580	0.3
91.05447	1.0
97.02876	0.6
99.04454	1.8
105.07007	0.3
116.04955	0.6
117.05534	0.8
118.06528	4.1
120.08077	0.6
126.50991	0.3
132.06854	0.5
132.08047	1.0
145.07585	16.1
146.08241	0.5
147.09145	19.7
157.07574	1.1
159.09148	10.9
159.10483	0.6
160.09959	1.6
161.10725	0.6
170.08380	0.4
173.07040	1.6
173.10699	0.8
175.08633	1.4
184.09853	0.7
185.10724	3.4
186.11440	0.8
187.08640	1.0
187.12285	1.0
189.10185	1.0
191.08121	100.0
192.08484	2.2
197.10773	1.5
199.08667	1.2
199.12303	1.5
201.10190	0.9
211.08624	0.3
213.10245	1.4
215.11751	1.2
216.07648	10.2
225.10167	1.2
231.11288	0.6
233.09109	0.5
233.12796	0.4
243.11232	0.4
245.09248	0.7
253.09738	0.5
263.13864	7.1
271.10776	0.8
289.11789	3.5
307.12827	52.4
308.13159	1.7
309.95932	0.3
314.26587	0.3
315.84094	0.3
332.27838	0.7
350.13403	44.6
350.28958	0.9
351.13727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.37614	0.3
52.67062	0.3
53.03934	0.4
54.10369	0.2
55.01852	0.5
55.05504	2.7
57.03420	0.7
57.07070	5.5
65.03923	0.4
67.05501	4.8
69.03376	0.3
69.06757	0.3
69.07061	3.9
71.04958	0.6
71.08624	2.5
78.32742	0.3
79.05093	0.4
79.05488	4.7
81.07048	8.4
83.04937	1.0
83.08592	1.4
83.38778	0.3
85.06186	0.2
85.06528	2.3
91.05467	3.4
93.07031	4.9
95.04932	1.2
95.07999	0.5
95.08591	6.3
97.06504	1.3
97.10164	0.4
98.20698	1.0
99.08102	1.7
99.08713	0.4
105.07014	4.7
107.04901	0.6
107.08591	4.6
108.92666	0.4
109.06506	19.5
109.10146	3.0
111.08033	0.7
117.06979	1.0
119.07847	0.4
119.08569	4.8
121.06539	0.3
121.10126	4.1
122.07265	1.9
123.08055	25.9
123.11674	1.1
129.07043	0.3
131.08546	1.8
133.10124	3.0
135.08057	3.6
135.11674	1.3
136.08852	0.3
137.09604	0.8
142.07777	0.6
143.08505	1.2
144.09279	0.5
145.10097	2.3
147.11655	2.0
149.09601	1.0
149.13171	0.7
156.09386	0.4
157.10072	1.5
159.11618	1.5
161.13251	0.7
163.11090	0.4
163.14743	0.4
165.12697	0.8
167.14281	0.7
169.10104	0.7
171.11702	0.7
173.13232	0.9
175.11189	0.3
175.14819	0.6
177.16451	0.4
179.14288	100.0
180.14622	2.4
183.11678	0.6
187.14748	0.4
193.15787	2.5
195.11517	0.3
197.13190	0.7
200.57199	0.3
209.13251	0.8
215.07671	0.3
227.14311	0.5
229.72800	0.3
233.18895	0.5
247.20518	0.3
275.20071	1.6
289.25369	0.4
331.26251	2.4
349.27365	72.4
350.27707	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.90789	0.5
53.03922	0.5
55.01870	1.0
55.05510	5.6
57.03411	0.6
57.07053	1.4
67.05495	6.3
69.07056	11.9
70.74275	0.6
70.74625	1.8
71.04982	1.3
71.08612	1.2
79.05480	5.5
81.07046	9.5
83.04982	1.1
83.08601	5.0
85.06515	1.0
90.90996	0.4
91.05452	2.6
93.07037	6.3
95.04961	0.9
95.08591	8.4
97.06486	2.6
97.10175	1.0
99.08119	0.7
105.07016	3.6
107.08577	6.5
108.42558	0.5
109.06503	11.8
109.10117	4.2
111.08065	1.8
119.08549	4.2
121.06579	0.8
121.10124	3.6
122.07289	0.8
123.08051	71.1
123.11691	1.4
124.08376	1.3
125.09568	0.8
131.08530	1.5
133.10107	3.8
135.08008	4.2
135.11693	1.8
136.08827	0.6
137.09575	3.6
137.13213	0.8
138.37476	0.5
145.10100	1.8
146.59462	0.6
147.11667	2.0
149.09633	2.0
149.13258	1.8
151.11165	0.5
159.11682	2.1
161.13271	1.0
163.11185	1.0
165.12770	0.8
167.14270	0.8
167.81981	0.5
173.13242	1.0
177.12689	1.1
179.14281	12.9
179.15738	1.1
222.09203	0.5
233.18974	1.0
247.20486	0.6
275.19955	2.8
289.25302	0.8
293.21057	18.2
303.26917	0.7
307.22601	1.3
326.93320	0.6
331.26221	3.7
349.27319	100.0
350.27676	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	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01855	1.0
55.05505	4.5
57.07056	3.1
59.18895	0.7
67.05499	6.7
69.07059	9.7
70.05553	2.4
71.04971	1.0
71.08617	1.4
73.45008	0.7
79.05473	4.2
81.07044	9.8
83.04961	1.0
83.08590	4.1
85.06513	0.9
91.05465	2.6
93.07020	6.1
95.04932	0.8
95.08585	8.7
97.06504	2.2
97.10163	1.0
98.20776	1.0
105.07019	3.7
107.07856	1.1
107.08535	4.8
109.06501	11.8
109.10141	3.9
111.08044	1.6
115.87813	0.8
119.08559	3.9
121.10138	3.9
123.08047	59.1
123.11655	1.1
124.08386	1.0
125.09615	0.9
131.08527	1.2
133.10100	3.0
135.08012	4.7
135.11671	1.3
137.09605	2.7
144.11812	0.7
145.10081	1.2
147.11684	2.4
149.09651	0.9
149.13258	2.1
159.11678	1.8
161.13269	1.7
162.01028	0.8
167.14365	1.0
173.13373	0.7
179.14276	26.2
233.18898	1.5
257.18918	1.2
263.19910	0.8
275.20020	2.3
293.21088	15.9
307.22565	1.1
331.26190	3.9
349.27319	100.0
350.27643	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	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05489	2.8
57.07051	1.8
67.05477	3.3
69.07040	5.6
69.53590	8.9
71.04972	1.3
71.08640	0.8
73.06558	0.8
78.22895	0.9
79.05472	3.3
81.07055	5.9
83.08613	2.5
91.05447	1.5
93.07005	4.5
95.08595	4.6
95.84411	0.9
97.06525	1.6
97.10147	1.0
105.07011	1.9
107.08575	3.9
109.06504	8.8
109.10099	1.7
111.08102	1.1
119.08549	2.3
121.10113	2.3
123.08048	38.9
133.10152	2.2
135.08026	4.2
135.11621	1.6
137.09576	2.1
137.13315	1.0
147.11604	1.0
149.13280	0.9
155.72670	1.0
179.12703	1.5
179.14284	27.4
275.20227	1.9
293.21097	12.2
331.26202	4.2
349.27332	100.0
350.27621	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	349.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84458	0.4
52.93722	0.4
55.01831	0.5
55.05509	0.5
58.06590	3.0
67.05498	0.5
69.07007	0.4
70.06572	1.8
71.08619	13.7
72.08138	4.9
74.64560	0.4
78.03440	1.2
81.07008	0.4
84.04486	0.7
84.08116	2.4
85.02847	0.5
86.09703	0.9
91.05476	0.7
93.07048	0.5
99.08074	21.4
106.02894	33.8
107.03298	0.5
112.11219	0.9
120.08036	0.9
128.10695	2.4
130.04991	0.5
131.04973	0.5
135.05507	6.4
137.10907	0.5
144.74542	0.4
153.96706	0.4
154.90620	0.4
155.15343	0.4
156.13809	96.7
157.14189	2.0
163.08638	31.3
164.08986	0.7
170.15376	5.6
172.36044	0.4
177.10187	3.4
187.18039	1.3
199.68825	0.4
201.37386	0.4
206.12920	0.5
222.08284	1.6
230.95874	0.4
234.16008	2.5
243.68945	0.5
251.18700	1.0
331.24808	0.9
332.23328	2.6
349.25922	100.0
350.26178	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.7
55.01862	5.2
55.05511	25.0
57.03418	10.3
57.07060	5.0
65.03925	4.3
65.35674	2.5
66.75359	2.3
67.05190	3.0
67.05500	41.5
69.03407	4.1
69.07063	30.3
71.04982	5.7
79.05486	46.8
79.68171	2.1
81.07050	67.6
83.04951	8.2
83.08598	9.9
83.85329	3.1
91.05470	54.4
93.07034	69.7
94.15715	2.7
95.04965	24.6
95.08594	40.0
97.06519	14.7
97.10144	5.4
98.21464	5.0
101.31367	2.1
105.04494	2.4
105.07018	100.0
107.04935	8.1
107.08577	61.2
109.06500	20.3
109.10139	30.7
116.06207	3.2
117.07005	19.1
119.08569	68.1
121.06477	7.2
121.10133	77.1
123.08073	20.7
123.11690	7.6
128.06192	6.3
129.06964	13.3
130.07776	6.6
131.08549	44.0
133.10110	50.6
135.08043	13.6
135.11676	16.8
137.09593	6.0
141.06952	4.3
142.07750	10.1
143.08533	23.3
144.09344	5.1
145.10104	54.6
147.08052	4.5
147.11690	17.4
148.98572	2.9
149.09610	12.9
149.13196	3.7
154.07736	2.5
155.08528	10.8
156.09328	5.6
157.10107	32.6
158.10825	4.8
159.08020	5.0
159.11684	25.0
161.09566	17.2
161.13272	7.5
163.11156	7.1
165.06990	3.7
167.08530	4.3
168.09383	2.6
169.10092	18.2
170.10800	3.5
171.11700	15.1
173.09587	4.3
173.13211	16.9
175.11125	4.6
175.14819	5.7
177.12741	4.3
179.08516	7.4
179.14294	22.3
181.10072	10.7
182.10939	3.4
183.11699	12.4
185.13255	9.4
187.14853	14.2
193.10147	5.6
193.11981	2.4
194.10901	5.5
195.11652	10.2
196.12457	4.2
197.13298	11.2
199.14804	8.2
201.16364	4.5
207.11684	4.4
209.13231	12.3
211.14664	5.3
213.16252	3.1
223.14719	4.1
227.14261	3.1
237.16396	3.5
239.17938	7.4
251.18079	3.7
253.19562	3.0
257.18994	8.7
260.11475	2.3
265.19498	3.3
275.20105	20.3
279.21060	3.7
293.21182	3.1
310.27808	2.6
329.24643	2.4
331.24142	3.6
349.23935	20.2
349.27545	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	349.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.0
54.42669	3.2
55.05498	27.1
57.03421	8.0
57.07052	8.2
67.05495	54.2
69.03401	5.4
69.07055	30.0
69.53011	26.4
69.53440	8.6
71.04972	8.6
79.05470	36.4
81.07040	70.9
83.08599	9.5
91.05460	62.3
93.07027	79.2
95.04959	29.0
95.08591	47.3
97.06520	20.3
103.05430	6.0
105.07011	100.0
107.04945	5.5
107.08582	58.0
109.06505	23.7
109.10140	40.2
115.05411	7.9
115.06609	3.3
117.06976	20.0
119.08559	85.0
121.06496	11.8
121.10132	75.7
123.08068	18.1
123.11681	12.9
128.06178	5.5
129.06963	15.2
130.07748	6.1
131.08548	57.6
133.10117	44.2
135.08041	13.1
135.11693	19.3
137.09587	5.8
141.06938	5.7
142.07761	11.7
143.08543	28.2
144.09309	10.7
145.10103	63.6
147.07993	9.2
147.11667	26.0
149.09587	12.9
149.13181	4.1
155.08524	12.8
156.09306	8.0
157.10112	48.3
158.10857	5.5
159.11688	30.9
161.09596	19.9
161.13210	14.8
166.07738	4.6
167.08481	7.3
169.10107	21.0
170.10869	3.9
171.11594	23.0
172.12415	4.2
173.09741	4.1
173.13245	18.9
175.11134	4.1
175.14853	15.2
179.08574	7.9
179.14322	12.2
181.10115	10.3
182.10962	4.3
183.11638	15.4
185.13217	17.2
187.14806	16.8
194.10851	7.3
195.11646	16.3
196.12465	6.4
197.13197	13.0
199.14783	10.6
201.12706	5.7
201.16322	7.5
207.11543	4.4
209.13211	23.3
210.14043	5.8
211.14790	10.7
213.16280	5.9
221.13321	4.5
223.14803	9.1
227.14302	7.2
239.17860	9.0
255.17390	5.9
257.18756	6.8
263.14523	3.8
265.19589	7.0
266.20166	6.0
275.20148	17.9
293.18784	6.0
321.25873	5.0
331.24258	6.8
349.24539	43.1
373.75446	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.4
55.01862	12.0
55.05506	84.7
57.03436	16.6
67.05499	42.5
69.06754	1.9
69.07067	26.6
70.05313	9.5
71.04981	2.3
78.88442	1.3
79.05481	37.2
79.06165	1.8
80.34876	1.3
81.03411	17.9
81.06600	2.5
81.07049	34.1
83.04979	7.8
83.08611	100.0
84.08931	1.9
84.29765	1.5
85.06538	1.3
91.04929	2.2
91.05468	34.7
92.55460	1.4
93.07032	35.4
95.01310	4.9
95.04959	23.5
95.08006	1.9
95.08598	27.1
97.06531	7.8
97.10180	2.0
99.08079	3.5
103.05482	2.4
105.07017	23.2
107.04242	2.8
107.04945	43.9
107.08579	17.9
109.06491	6.8
109.10128	4.1
111.08061	16.9
113.67995	1.5
117.06999	13.2
119.08576	18.3
121.06485	7.8
121.10108	14.5
123.08052	4.4
123.72601	1.5
125.09628	2.5
129.06985	2.9
131.04901	2.5
131.08556	11.1
133.10124	13.0
135.08043	2.5
135.11684	12.6
137.09599	2.5
139.11118	2.7
143.08492	2.7
145.06454	4.9
145.10109	23.4
147.08023	2.4
147.11650	13.2
149.09598	18.7
155.08524	5.1
157.10048	2.1
159.11629	8.7
161.09569	1.8
161.13269	2.2
163.11168	39.3
164.11581	1.9
165.12746	12.0
169.10010	2.0
173.09587	11.5
173.13252	4.5
175.11166	2.6
179.10472	1.9
183.11699	2.0
185.11754	3.8
191.10651	5.9
197.11702	4.4
198.96567	1.5
201.12776	2.3
202.25729	1.7
205.12140	2.3
207.14018	2.0
229.19440	2.8
239.17993	3.0
247.20612	2.9
257.18997	6.5
275.20062	22.4
293.21106	8.8
349.16815	3.7
349.23669	23.5
350.24075	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86404	2.7
53.03937	22.5
55.01856	20.2
55.05504	29.9
57.03428	19.2
65.03921	3.9
67.05496	74.8
69.03425	3.1
69.06689	4.1
69.07059	75.1
69.51726	15.1
69.52148	9.1
77.03897	2.9
79.05482	64.7
81.03407	32.9
81.07045	88.0
83.04984	15.2
83.08592	11.3
85.06522	3.0
91.04920	4.9
91.05468	80.5
93.07030	64.6
94.07364	2.6
95.01311	28.3
95.04960	24.9
95.08585	61.6
97.06512	29.0
97.10159	5.3
97.81168	2.5
99.08048	3.6
103.05469	3.6
103.47690	2.6
105.07013	100.0
105.07720	5.7
107.04937	47.2
107.08575	27.6
107.33043	2.3
109.06486	11.3
109.10129	14.8
111.08017	5.2
117.06985	21.7
119.08566	52.9
121.06454	6.0
121.10082	13.5
123.04380	6.5
123.08086	12.0
123.11663	3.1
125.09566	3.3
131.08546	35.6
133.06445	4.1
133.10110	59.1
135.08023	4.5
135.11691	15.9
139.07503	2.6
141.06956	4.1
143.08549	7.7
145.06465	7.9
145.10094	24.0
147.11655	24.9
149.09599	13.8
149.13220	11.8
155.08537	3.8
157.10091	5.8
159.11676	27.9
161.13220	7.4
163.11154	8.3
165.09106	4.0
169.10112	8.1
171.11586	2.5
173.13213	8.4
177.12717	9.4
179.14285	30.5
183.11591	3.3
187.11111	10.4
195.13719	3.0
199.12314	2.6
199.54163	2.4
201.12708	2.7
205.12190	2.5
239.18008	5.0
247.20502	4.4
257.19052	8.5
275.20010	68.2
276.20160	3.9
291.31741	2.5
349.23669	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.6
55.01863	13.7
55.05503	27.9
55.56719	2.0
57.03168	2.3
57.03430	41.5
57.07071	2.0
65.03925	5.3
67.05492	55.4
69.03397	2.4
69.07055	30.7
69.42455	17.9
69.42880	6.3
71.04983	3.7
77.03938	2.2
79.05478	72.7
81.03394	3.9
81.07047	62.3
83.04974	8.0
83.08609	13.3
85.06523	8.0
85.29305	2.4
91.05461	73.8
93.07024	71.2
94.07361	2.4
95.04945	12.9
95.08591	42.5
97.06499	20.0
97.10138	5.5
99.08096	3.6
103.05375	2.4
105.07009	100.0
107.04921	15.1
107.07907	4.2
107.08575	51.8
109.06510	14.7
109.10130	13.5
110.67793	2.5
111.08050	4.3
116.06195	2.8
117.07003	31.5
119.08560	59.5
121.06472	8.1
121.10134	25.7
123.08022	5.3
123.11649	3.8
125.09611	7.7
128.06158	3.4
129.06972	15.6
131.08545	44.5
133.10100	43.3
135.08044	5.2
135.11684	12.1
137.09596	5.4
141.06987	3.9
142.07765	2.8
143.08517	18.4
144.09232	3.0
145.10104	54.8
147.08000	3.0
147.11658	36.9
148.11940	2.4
149.09576	17.0
149.13235	7.7
151.11148	4.9
155.08569	7.0
157.10101	15.6
159.11688	48.9
160.12077	2.2
161.09612	7.2
161.13264	19.5
163.11153	8.6
169.10094	8.7
171.11659	9.3
173.13222	19.0
175.11125	4.0
175.14822	7.1
177.12750	4.7
179.14333	3.6
183.11656	9.4
185.13187	22.2
187.11276	3.2
187.14807	4.2
191.14203	2.6
197.13228	6.0
201.12718	3.3
201.16341	3.7
203.14230	12.6
205.15869	2.3
213.16498	2.9
215.14136	2.3
215.17897	3.0
219.17429	16.0
229.19476	9.6
239.17964	16.7
247.20529	4.7
257.18967	47.0
258.19238	3.4
275.20010	83.8
276.20435	6.0
293.21021	4.0
331.22702	4.1
349.23685	88.8
350.23856	4.4
362.72421	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	349.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01856	13.9
55.05276	3.4
55.05508	41.1
57.03158	3.2
57.03423	36.9
65.03927	3.1
67.05494	61.9
69.03421	4.3
69.07058	30.2
69.42419	2.6
70.52699	5.8
71.04980	4.4
72.75589	2.6
73.96309	2.6
74.32089	3.2
79.05481	91.3
81.03429	4.1
81.07042	84.5
83.04959	7.0
83.08601	19.5
85.06535	6.7
91.05469	79.2
93.06430	4.0
93.07027	71.8
95.04946	12.6
95.08586	44.0
97.06494	11.6
97.10128	11.8
98.61378	2.7
99.08054	4.8
105.07009	96.6
107.04939	19.7
107.08579	75.3
109.06499	25.3
109.10136	21.4
111.08064	5.9
114.23588	2.8
115.05424	4.7
117.07007	37.4
119.08559	71.3
121.06483	5.7
121.10122	20.7
123.08065	5.4
125.09605	11.5
129.06990	13.2
131.08549	43.2
133.10103	46.3
135.08032	4.2
135.11632	12.9
137.09586	8.5
141.06979	4.8
143.08540	18.3
145.10103	83.9
146.10446	3.3
147.11652	38.9
149.09602	24.2
149.13239	5.5
155.08519	3.8
157.10107	19.4
159.11679	54.6
161.09593	5.9
161.13251	18.6
163.11209	8.6
165.12717	4.1
169.10097	9.8
171.11661	13.2
173.11942	4.6
173.13211	21.4
175.11234	4.7
175.14853	5.2
177.12747	7.1
179.14265	4.6
183.11562	13.5
185.13200	23.5
187.14815	5.3
189.11142	7.8
197.13206	9.6
203.14259	12.1
213.16609	3.1
215.17937	4.9
219.17305	13.6
229.19458	7.2
239.17934	28.9
240.18245	4.1
257.18942	60.4
258.44333	2.9
275.20038	75.5
276.20331	3.5
331.22632	5.8
349.23660	100.0
350.24039	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	349.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31292	2.1
53.03934	9.4
54.12796	2.5
55.01859	17.9
55.05505	36.3
57.03423	19.0
65.03915	3.3
67.05495	60.2
67.42887	2.2
69.03435	3.5
69.07052	37.8
71.04969	5.5
79.05481	100.0
81.03399	3.9
81.07044	47.0
82.85381	2.4
83.04973	5.7
83.08600	14.4
85.06550	3.4
91.05465	64.8
93.07034	58.6
95.01322	4.2
95.04940	13.9
95.08595	30.3
97.06514	20.4
97.10162	14.9
105.07015	75.8
107.04945	25.5
107.08578	96.0
109.06511	10.5
109.10168	16.2
111.08047	3.3
115.05442	4.0
117.07011	21.3
119.08573	35.7
121.06487	5.1
121.10134	14.6
123.08054	5.4
123.11740	2.6
125.09634	19.5
129.06993	7.1
130.07651	2.4
131.08542	38.1
133.10121	36.4
135.08052	7.2
135.11623	11.1
137.09608	4.0
137.71614	2.2
141.06889	2.3
143.08501	12.9
145.10098	64.0
147.11652	33.9
149.09596	28.9
149.13217	3.7
153.09102	2.4
155.08505	2.8
157.10144	6.5
159.11693	19.9
161.13208	6.8
163.11203	11.2
169.10089	5.2
171.11612	12.2
173.13239	13.5
175.14728	2.8
177.12695	3.8
179.14305	5.1
183.11713	6.6
185.13254	6.9
187.11099	2.4
189.11215	9.5
197.13283	7.4
219.17351	3.6
229.19514	4.0
239.17859	15.4
247.20518	5.3
257.18973	39.2
258.19287	4.3
275.20020	63.4
276.20355	4.9
321.74640	2.9
331.22464	4.5
349.23688	64.2
350.23868	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	21.7
55.01867	18.0
55.05507	26.4
57.03421	22.4
65.03899	3.7
67.05495	78.9
69.07056	68.8
71.04982	4.1
79.05475	59.2
79.78024	3.7
81.03403	25.9
81.07041	93.5
83.04965	14.6
83.08606	18.9
91.05464	82.6
91.06038	4.2
93.06479	2.3
93.07031	63.9
95.01314	25.3
95.04942	23.7
95.08587	56.1
97.06516	25.3
97.10159	4.6
98.20723	5.8
99.08071	4.0
105.07012	100.0
107.04930	45.8
107.08580	28.2
109.06508	9.0
109.10125	12.4
111.08118	3.8
117.07008	29.4
119.08568	57.9
121.06469	4.8
121.10136	14.4
123.08044	11.1
123.11680	3.6
129.07082	3.9
131.08543	35.1
133.10100	59.3
135.08073	6.1
135.11671	14.1
141.06992	4.2
143.08575	4.3
145.06502	5.6
145.10063	22.6
147.11653	25.3
149.09607	10.8
149.13249	8.4
157.10133	4.4
159.11719	20.8
161.13252	7.4
163.11090	7.0
165.12706	3.7
169.10095	4.7
173.13220	7.7
177.12752	11.8
179.14276	27.4
183.11664	4.1
187.11154	8.7
197.13261	4.2
219.17204	3.7
239.17902	6.4
247.20520	3.3
257.19016	8.9
275.20010	71.3
349.23685	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2365
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03931	5.2
55.01863	23.1
55.05505	41.9
57.03427	20.5
57.07040	2.7
59.04947	2.3
64.89630	2.2
65.03909	3.8
67.05143	3.9
67.05492	71.2
69.03407	2.9
69.07058	48.4
70.13674	7.2
70.14087	4.0
71.04977	4.7
74.50558	2.3
79.05025	4.8
79.05480	91.8
81.03388	5.0
81.07041	68.2
83.04947	8.0
83.08593	17.2
85.06523	4.1
91.04925	4.2
91.05463	68.1
92.05764	2.2
93.07027	60.0
95.04932	15.0
95.08588	40.1
97.06508	25.0
97.10134	10.3
103.05415	2.5
105.07011	79.5
107.04946	25.8
107.08571	92.7
108.08927	3.4
109.06507	9.3
109.10127	19.7
111.08050	4.2
115.05396	2.8
117.06996	28.6
119.07733	3.4
119.08553	49.0
121.06508	4.7
121.10123	20.0
123.08080	4.3
123.11704	5.8
125.09619	18.9
128.06163	3.5
129.06975	7.9
131.08542	33.1
133.10106	50.1
135.08008	5.5
135.11671	13.1
137.09604	3.1
137.36594	1.9
141.06950	4.9
143.08525	13.4
145.06422	2.1
145.10091	66.3
146.10419	2.9
147.07973	2.6
147.11655	35.3
149.09589	31.8
149.13237	5.9
150.09926	2.5
151.11139	5.1
153.09090	2.6
155.08498	4.7
157.10077	7.2
159.11679	24.9
161.09578	4.0
161.13235	9.2
163.11136	14.5
165.12775	2.5
169.10043	5.8
171.10269	3.7
171.11655	13.1
173.11794	3.6
173.13182	16.6
177.12752	4.7
179.14246	6.9
183.11684	10.5
185.13219	4.5
187.11148	3.9
187.14766	3.4
189.11288	9.9
197.13200	5.8
229.19519	6.7
232.73198	2.1
239.17923	14.3
247.20618	5.6
257.18958	45.8
258.19235	2.6
275.20013	87.0
276.20340	5.2
293.20853	2.1
331.22507	2.7
349.23657	100.0
350.23923	7.7
374.96063	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17904	1.3
53.03932	5.1
55.01859	5.5
55.05504	11.5
57.03428	10.0
62.71996	1.2
65.03912	1.8
67.05490	27.8
69.03410	1.0
69.06740	1.2
69.07059	14.8
69.51776	7.7
69.52184	2.7
70.45074	0.9
71.04984	2.3
79.05479	39.9
81.03396	4.1
81.07040	100.0
82.07375	1.8
83.04945	2.9
83.08598	7.4
85.06505	2.1
89.90282	1.1
90.65244	0.9
91.04923	1.7
91.05466	26.8
93.07027	21.8
95.04950	9.8
95.08590	18.0
97.06524	6.0
99.08077	2.0
105.07003	23.9
107.04916	5.4
107.08574	17.5
109.06496	45.4
109.10155	6.8
110.06783	1.3
111.08031	1.7
117.07001	6.8
119.08559	18.7
121.06460	2.5
121.10122	13.3
123.07999	5.3
123.11638	2.9
126.12811	1.0
128.99539	1.0
129.06963	1.9
131.08546	12.1
133.10094	15.0
135.08005	4.0
135.11678	6.7
137.09581	3.7
141.06950	1.2
141.72641	1.1
143.08455	1.3
145.10109	10.5
147.11662	10.9
149.09608	4.9
149.13187	8.6
149.75096	1.2
151.11154	2.9
157.10075	2.9
159.11685	9.5
161.09514	1.3
161.13249	3.2
163.11142	4.9
163.14760	3.1
165.12698	2.9
169.10086	2.4
173.13252	6.3
175.11073	1.9
177.12695	2.1
179.14287	3.3
183.11726	1.1
185.13232	2.1
187.14763	2.7
191.14258	1.8
193.12128	1.7
219.17419	2.6
229.19481	3.9
239.17928	2.4
247.20502	7.2
257.18964	4.6
275.20010	38.7
276.20285	3.1
313.08420	1.2
335.01300	1.1
349.23672	29.8
350.24030	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01855	1.2
55.05499	5.6
55.46246	0.7
57.03424	2.4
65.03908	0.8
66.94637	0.7
67.05485	6.8
69.07056	3.9
71.31273	2.0
79.05485	8.5
81.03387	0.9
81.07037	9.5
83.04981	0.9
83.08599	1.8
91.05470	4.8
93.07038	5.5
95.04939	2.4
95.08585	5.3
97.06497	1.3
97.10139	1.0
105.07006	6.8
106.07342	0.7
107.04918	1.7
107.08584	6.7
107.57346	0.7
109.06469	3.8
109.10146	1.8
117.06999	2.5
119.08582	4.6
121.06472	1.1
121.10140	1.9
123.08073	0.9
131.08540	2.6
133.10126	2.8
135.08037	1.5
135.11644	1.3
143.08501	0.9
145.10103	3.2
147.11696	2.6
149.09605	2.4
158.40352	0.7
159.11639	1.9
161.09694	1.2
161.13252	1.2
163.11177	2.3
165.12711	0.7
171.11673	0.9
171.74867	0.8
179.14253	1.5
249.14816	0.8
257.18927	2.0
275.20056	6.9
305.85052	1.0
308.25735	1.4
349.23456	100.0
350.23486	6.1
350.27444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08104	0.6
54.98300	0.5
55.01867	0.9
55.05489	2.2
57.03421	1.3
67.05508	5.3
69.07067	4.1
69.35871	5.1
69.36301	2.0
71.08603	0.6
75.81445	0.6
79.05475	5.2
81.07047	7.5
82.06535	0.9
83.08609	1.7
85.06543	0.6
91.05481	3.1
92.77534	0.6
93.07027	4.5
95.04946	1.2
95.08617	3.2
97.06521	1.4
97.15945	0.6
98.20695	0.8
105.07016	3.8
105.27453	0.6
107.04911	1.1
107.08578	4.2
109.06485	3.1
109.10128	1.7
117.06992	1.0
119.08606	3.5
119.09324	0.5
121.10094	1.4
123.08038	2.0
125.09540	0.8
131.08542	1.4
133.10100	2.7
135.08046	0.9
135.11693	2.0
138.12718	0.9
145.10115	2.1
147.11671	2.0
149.09581	0.9
149.13069	0.7
149.89124	0.7
159.11693	1.4
163.11162	1.5
173.13303	0.8
179.14255	2.0
257.19080	1.5
275.20129	3.6
276.23038	0.6
291.23300	1.5
308.25797	3.9
349.23456	100.0
350.23355	5.1
350.27087	2.4
374.04056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.01862	1.5
55.05492	1.9
55.99176	0.6
57.03428	1.0
57.07013	0.8
67.05499	6.2
69.07043	2.5
69.70957	5.8
74.66175	0.9
79.05483	6.0
81.03438	1.1
81.07047	11.8
83.04963	0.8
83.08585	2.3
84.38364	0.7
91.05468	5.5
93.07027	3.9
95.04950	2.4
95.08583	4.4
97.06519	1.4
105.07005	3.9
107.04932	1.8
107.08567	4.3
109.06499	4.6
109.10168	1.2
111.08051	0.9
117.06992	1.7
119.08536	3.6
121.10098	2.3
123.08021	1.0
131.08531	2.1
133.10112	2.8
145.10110	2.2
145.85970	0.8
147.11655	1.9
149.09595	1.4
149.13216	1.4
159.11647	2.1
163.11082	1.7
173.09758	0.8
179.14314	1.5
179.90747	0.6
221.15074	0.7
238.53514	0.7
239.17976	0.8
257.18826	1.7
275.19943	5.6
345.11530	0.7
349.23434	100.0
350.23618	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01855	1.4
55.05254	1.1
55.05491	4.9
56.05016	4.1
57.03427	9.8
58.99567	12.1
60.73822	0.9
67.05473	1.2
69.07053	2.0
70.06575	2.5
70.42735	3.2
72.08143	3.2
76.02208	10.8
79.05473	11.7
81.07039	100.0
82.07376	1.6
84.04487	69.8
85.01109	4.4
86.00629	7.1
86.09676	2.3
86.99034	11.8
87.02673	51.8
88.03955	2.3
94.06537	1.3
95.08596	1.4
97.06524	1.6
97.10162	1.3
98.09678	3.1
98.20754	1.3
99.08078	12.8
102.05509	1.9
105.00063	15.6
108.04382	0.9
109.21342	1.1
113.04217	2.3
120.08098	1.6
122.02704	58.7
130.04980	13.4
131.01614	1.2
132.01123	16.0
142.03188	4.4
153.81471	1.1
156.08411	4.7
157.06786	2.5
159.04715	17.2
159.05939	1.6
165.67044	1.2
174.09456	2.4
188.03725	4.8
202.08931	90.7
203.07338	27.2
203.09184	2.3
210.11226	3.5
220.09982	16.0
228.35434	1.0
234.04279	3.0
246.93701	1.0
251.06969	2.9
286.11002	5.6
331.12973	7.5
331.51196	1.0
332.11627	3.2
349.14175	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	349.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.3
55.05500	3.5
57.03430	20.0
60.04514	14.6
61.02910	3.3
61.04865	1.4
67.05502	6.9
68.87571	1.1
69.03424	8.8
70.06585	3.6
71.01341	24.1
71.04978	1.3
71.08618	74.3
72.08127	1.8
73.02901	34.3
73.03314	1.7
75.04464	4.1
76.13149	1.3
76.42561	1.2
79.05482	3.8
81.03445	1.4
81.07043	6.3
83.01333	4.5
83.04963	2.3
85.02890	61.0
86.09693	1.9
87.00777	1.2
87.04426	1.9
89.06018	2.9
91.05478	7.3
92.30564	1.1
93.07024	3.7
95.01318	18.1
95.04945	1.5
95.08585	2.5
97.02869	17.8
98.20657	2.7
99.00803	6.9
99.04457	3.1
99.08076	100.0
100.11221	5.8
101.02364	7.1
103.03925	10.1
105.07025	3.3
106.02892	2.9
107.08582	1.8
109.10120	2.1
113.02348	29.9
117.05494	1.9
117.09119	17.0
119.08527	1.8
121.10093	2.5
123.00810	1.9
123.04459	1.3
129.05409	1.4
131.03372	16.2
133.10075	1.4
135.11659	1.3
141.01796	38.4
145.04926	2.2
147.09749	1.2
156.13794	6.0
159.02879	9.0
159.06502	3.6
163.08656	1.9
169.04982	4.8
173.11708	71.2
187.06012	2.6
191.12762	1.3
197.04411	2.5
210.14954	1.7
215.05515	5.3
215.12756	9.6
227.33734	1.2
229.49648	1.5
233.06636	2.4
250.68399	1.3
257.09988	1.4
273.56381	1.2
276.72922	2.8
297.05991	1.2
313.12689	3.7
327.64874	1.2
331.13382	2.7
331.26669	5.2
349.14853	9.8
349.26520	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.5
57.03424	2.3
57.89225	1.3
64.49429	1.2
68.98263	1.9
69.03432	2.0
70.68865	5.2
77.00893	2.2
82.99845	3.0
85.02872	3.8
101.00858	41.2
101.15611	1.4
102.00961	2.2
105.00363	3.0
110.97520	1.4
113.00835	13.0
115.02388	2.5
119.01899	100.0
120.01975	2.2
131.01884	61.3
132.01939	1.5
133.03453	16.9
137.02910	10.1
142.03520	2.3
143.01868	16.9
144.99794	5.2
145.03436	9.6
149.02939	10.0
151.04413	3.2
155.01851	12.4
157.03476	5.1
161.01506	2.0
161.02924	18.2
162.03181	1.5
163.04613	1.6
165.00647	2.3
168.99797	29.8
169.99889	2.4
171.01381	2.3
172.99287	1.8
173.02942	23.3
177.02364	3.7
179.03931	1.5
180.99794	7.5
185.02873	5.3
187.00835	43.8
187.04401	2.7
188.01070	2.3
189.02481	2.8
191.03966	6.8
196.04485	1.6
196.99294	17.7
199.00854	18.2
201.02390	6.3
203.04018	4.8
205.01973	1.7
210.02368	2.0
213.02338	4.4
215.00336	89.7
216.00523	4.3
217.01894	4.0
219.03476	8.8
221.05028	5.5
227.00395	2.3
229.01888	37.6
230.02318	2.4
230.04883	1.4
231.03435	9.0
233.01425	4.2
238.01971	4.9
239.06059	5.2
241.01888	7.8
245.01476	4.0
247.02965	98.9
248.03050	3.4
259.03006	19.7
261.04633	2.1
270.04483	6.3
274.83246	1.4
275.02881	1.8
277.03928	5.7
289.04117	13.8
307.05197	2.6
317.03592	7.5
349.05695	5.7
349.09399	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49137	9.0
51.55799	8.1
56.96556	24.2
61.02930	7.7
64.19542	8.2
68.35384	7.8
68.99173	7.5
71.04175	21.0
71.95257	8.8
73.90815	7.9
83.72225	7.2
84.04498	9.4
85.02883	17.1
86.09698	11.3
87.10056	11.5
98.97575	100.0
100.30791	8.0
103.03941	17.6
116.98613	79.6
119.01946	8.2
133.03500	10.1
134.99643	47.5
140.00308	8.7
146.99606	18.4
150.96892	13.2
151.69173	7.6
158.99669	11.8
174.99164	10.8
177.00696	75.2
183.01402	13.4
189.02460	16.7
193.00208	26.1
195.01738	50.9
219.01717	16.8
235.01215	24.2
237.02821	38.9
247.01270	21.4
253.02301	29.6
257.04453	24.6
265.02255	53.4
273.03876	91.4
285.03848	14.4
289.05966	12.5
299.05545	12.1
303.04922	78.0
304.05396	9.2
307.07108	13.1
327.05066	26.1
349.08899	63.8
357.06018	10.4
369.06152	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	348.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
58.06573	0.7
66.03727	0.2
71.08247	0.3
71.08620	4.8
71.29757	0.7
72.08144	6.1
77.03915	0.9
80.81944	0.2
81.07013	0.4
84.08131	1.4
95.04929	1.4
95.55548	0.2
97.82603	0.3
99.08077	7.5
105.03371	98.9
106.03701	1.1
112.11207	2.2
116.10703	0.5
128.10760	1.2
134.05980	6.9
155.15381	0.3
156.13809	22.9
157.14178	0.6
161.10741	1.2
162.09109	99.2
163.09439	2.4
170.15364	8.3
176.10674	2.2
179.11748	0.3
187.18024	0.5
227.21178	0.6
233.16452	1.8
250.19048	0.6
250.32681	0.3
275.22186	0.3
279.59924	0.3
305.12787	0.4
330.25403	1.2
331.23721	1.1
348.26389	100.0
349.26730	4.8
369.44763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01867	9.3
55.05503	27.8
57.03428	23.7
57.03711	1.3
57.07071	2.7
60.04509	3.7
65.03934	3.8
65.85501	0.6
67.05495	55.3
69.03405	3.2
69.07058	25.5
69.89247	3.6
70.06568	0.9
71.04990	4.2
71.08638	0.9
73.06538	0.6
77.03905	1.0
79.05479	64.7
81.03410	4.6
81.07043	100.0
82.98348	0.6
83.04969	8.5
83.08611	16.4
85.02916	0.8
85.06516	4.3
91.05465	60.9
93.07028	46.9
95.01311	1.3
95.04950	12.8
95.08591	36.0
97.06519	11.6
97.10154	6.8
98.21378	1.0
99.08058	3.3
103.05474	2.1
105.04497	0.9
105.07014	61.6
107.04936	12.4
107.08575	41.3
109.06500	32.5
109.10136	18.4
111.08071	4.6
111.11709	0.6
113.05996	0.7
113.09660	0.7
115.05406	2.6
116.06236	1.4
117.07005	25.4
118.07835	0.7
119.08562	47.2
121.06488	8.8
121.10121	20.0
123.04401	0.6
123.08058	6.9
123.11678	5.0
125.09606	5.6
127.07557	0.6
128.06213	2.0
129.05531	0.9
129.06985	9.8
130.07787	2.9
131.08546	37.7
132.27417	0.5
133.06480	3.2
133.10109	40.6
135.08041	7.8
135.11659	11.6
135.12648	0.9
137.09593	5.0
137.13237	1.5
139.11215	1.2
141.06956	3.8
142.07759	1.8
143.08540	10.1
144.09355	1.3
145.06474	1.8
145.10101	47.6
147.08023	2.9
147.11662	29.7
147.12865	1.1
149.09586	15.3
149.13240	7.1
151.11166	4.7
153.09038	0.6
153.12752	0.7
154.07799	0.8
155.08527	5.2
155.10600	1.1
156.09297	0.6
157.10104	12.0
158.10751	0.6
159.08037	1.9
159.11673	35.3
161.01189	0.5
161.09602	4.3
161.13222	11.4
163.11157	12.0
163.14767	2.8
165.09108	1.1
165.12772	3.3
168.09309	1.4
169.10114	5.3
171.11661	7.2
173.09586	3.1
173.11717	8.3
173.13255	17.2
175.11183	5.5
175.14839	2.8
177.12714	5.0
179.10670	0.9
179.14252	2.5
181.10023	0.7
183.11659	7.9
185.11707	0.9
185.13211	6.1
187.11156	4.3
187.14783	3.1
189.11188	3.8
189.12753	2.4
191.14272	2.5
193.12253	1.9
195.11656	0.7
197.11606	0.8
197.13228	6.7
199.14780	1.5
201.12718	2.3
201.16386	2.1
203.14272	3.2
205.12105	0.9
205.15883	0.7
207.13782	2.0
209.08409	0.6
211.14804	1.7
213.16364	1.5
215.14406	1.2
215.17987	2.7
217.15837	0.9
219.13774	1.8
219.17377	3.6
221.15262	0.9
229.12163	1.1
229.15929	0.9
229.19493	8.4
231.17439	0.7
233.15247	1.1
233.19025	1.6
239.17894	13.7
247.20522	8.3
257.18967	39.2
259.20511	0.7
275.20023	85.0
277.21707	2.9
293.21057	3.6
295.22650	0.7
331.22717	2.8
348.22278	0.6
348.27383	0.7
349.20270	2.9
349.23672	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2527
Annotation	Dictysine
Peak:m/z	Relative Intensity
52.88742	0.6
53.03937	1.0
55.01872	1.3
55.05504	7.9
56.05018	1.9
56.53452	0.5
57.03428	1.4
57.07072	0.7
58.06593	10.2
60.04509	1.3
65.03939	0.9
66.96979	0.6
67.05496	12.0
68.05032	0.7
69.03410	0.6
69.07053	6.2
70.06558	0.6
70.50741	1.8
71.04990	3.4
72.08144	0.6
73.88567	0.6
79.05483	9.3
80.05008	0.6
81.07047	14.6
82.06570	1.1
83.04965	3.7
83.08615	5.2
84.08135	14.1
84.08643	0.8
85.06522	1.0
91.05470	12.9
93.07039	11.2
93.07586	0.9
94.06573	1.6
95.04944	3.5
95.08600	10.1
96.08111	4.1
97.06544	2.2
97.10160	2.6
100.07594	2.7
103.05477	0.6
105.07017	14.4
107.04967	2.2
107.08586	9.3
107.09244	0.9
108.08112	1.5
109.06537	2.3
109.08904	0.7
109.10148	3.5
110.06023	4.6
110.09691	1.4
111.08098	1.7
112.07594	10.8
112.70348	0.5
117.07023	4.1
119.08564	12.2
120.08156	0.6
121.06517	1.2
121.10138	3.0
122.09673	1.6
123.08031	1.6
124.07574	22.6
124.11208	3.3
125.08396	3.7
125.09623	1.8
126.09199	0.6
129.07022	1.2
131.08530	6.9
133.10109	7.4
134.09648	2.4
135.08040	1.2
135.11710	1.9
136.11253	0.6
137.09612	1.2
138.09166	1.9
141.07005	0.8
143.08554	1.6
145.10112	5.2
147.08005	0.7
147.11647	5.4
148.11195	0.8
149.09630	1.8
150.09283	0.6
151.11186	0.6
152.10684	0.7
155.08588	0.8
157.10133	1.2
159.11681	5.4
161.13210	2.8
162.12720	0.7
163.11220	2.0
165.12849	0.6
171.11691	1.2
173.09607	0.5
173.13312	2.1
177.12759	0.8
183.11729	1.4
185.13249	0.9
186.28311	0.6
187.14764	0.9
197.13271	1.0
215.18010	0.5
238.18028	0.7
239.18040	1.3
257.18930	3.1
274.21640	1.4
275.20074	4.2
288.23257	2.0
289.21542	10.1
289.24411	0.8
294.20688	0.9
306.24298	4.7
316.22672	17.7
317.23010	0.9
326.41354	0.5
348.22131	10.3
348.25458	100.0
349.26065	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76649	16.0
68.33189	15.2
70.04377	100.0
84.82026	15.5
111.54301	16.3
217.71158	15.7
227.79839	17.8
269.24088	21.3
277.48264	17.0
285.36713	16.0
290.81464	17.3
369.62656	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	347.2186
Annotation	Cortexolone
Peak:m/z	Relative Intensity
52.61190	1.0
68.63007	1.0
70.22539	3.0
70.22940	1.7
79.05483	1.6
91.05463	1.1
93.07015	1.6
95.54060	1.1
98.21385	1.4
103.35648	1.0
135.08087	1.2
162.99986	1.2
188.56268	1.3
228.49643	1.2
264.74542	1.4
320.07346	1.2
347.21899	100.0
348.22110	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	347.2186
Annotation	Cortexolone
Peak:m/z	Relative Intensity
52.84415	0.5
55.05490	0.9
57.07047	1.0
58.06583	1.2
67.05482	2.7
69.07053	1.0
70.70337	2.4
77.98711	0.6
79.05470	1.8
81.07039	2.6
84.08118	1.5
86.89177	0.5
91.05440	1.7
93.07016	2.0
93.89603	0.6
94.06557	0.6
95.08578	2.2
105.07011	2.3
107.08560	1.8
111.70840	0.5
112.07591	1.9
114.57829	0.6
119.08565	2.1
124.07565	1.9
131.08517	0.8
133.10164	1.0
147.11752	0.7
159.11824	0.7
261.14609	4.2
285.29602	1.0
289.21649	1.9
305.24890	0.8
316.22559	2.0
347.21887	100.0
348.21994	3.9
348.25626	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	347.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	0.6
59.55709	0.5
67.05484	0.9
69.07048	0.6
69.35107	3.0
69.35534	3.1
70.06572	2.2
75.68260	0.5
79.05487	0.7
81.07030	1.8
83.08573	0.6
88.07624	2.5
89.07925	1.1
91.05453	1.3
91.69852	0.5
93.07028	1.3
95.04951	1.2
102.09155	2.3
103.09473	0.5
105.06990	1.8
109.06455	0.5
109.10145	1.0
115.81654	0.6
119.08544	1.8
123.07928	0.6
143.08496	1.0
145.10121	1.1
157.10127	1.1
171.11584	0.7
180.09399	0.5
191.72554	0.5
195.42311	0.6
221.13374	0.6
240.24614	0.6
284.29236	0.8
285.29745	5.6
347.21872	100.0
347.33368	14.8
348.22226	3.9
365.21970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
56.05017	1.6
56.87990	1.1
56.96557	12.6
57.03432	1.8
58.99855	9.0
60.04510	2.9
61.02914	2.2
69.03429	1.8
69.07063	1.3
70.06558	5.6
70.35460	3.7
70.98112	3.3
70.99848	6.1
72.08147	8.0
72.99606	1.1
73.01408	4.7
73.02856	1.0
74.06060	2.5
77.00906	13.8
79.00655	1.4
82.99835	1.8
83.06094	2.6
84.04493	8.4
84.08134	16.0
84.96018	1.8
85.01395	2.6
85.02905	2.0
85.06518	2.0
86.09698	11.6
86.99320	1.9
87.05572	1.3
88.99164	2.0
89.00870	4.0
91.02448	22.8
92.02579	1.3
95.01907	4.2
96.04478	1.2
97.02883	1.7
98.97556	4.3
101.00867	19.4
101.07099	1.7
102.05504	1.6
102.43933	1.3
103.02438	20.1
105.00382	1.1
105.03999	1.7
106.04347	1.3
106.04998	2.8
109.03474	12.8
110.97566	1.5
113.00883	4.5
115.02430	5.8
116.98586	3.0
117.03989	11.0
118.03530	1.5
119.01903	74.5
120.02034	3.1
121.01636	3.9
121.03466	11.6
122.06000	3.4
123.05035	3.1
128.10712	1.8
128.98669	2.6
129.00349	2.8
129.03943	2.2
129.10225	11.8
130.04955	3.7
131.01886	27.5
132.02135	1.6
133.01743	2.1
133.03453	32.0
133.04985	1.6
134.99672	2.8
135.03281	1.5
135.05037	13.8
136.05141	2.0
136.06184	6.6
137.02942	14.0
138.05484	1.4
141.01344	1.8
142.03506	1.8
143.01862	3.6
143.99570	1.5
144.99832	1.6
145.03445	19.9
146.99617	5.1
147.01361	19.2
147.03160	1.5
147.05005	4.2
147.07565	5.5
149.02942	100.0
150.03015	5.8
150.05496	4.9
151.02705	2.5
151.04510	6.8
155.01886	2.4
156.01865	5.4
156.52020	1.2
156.99818	3.1
157.03435	3.6
158.99644	2.7
159.01402	5.1
159.05048	2.9
161.01176	1.7
161.02943	15.7
161.06624	1.9
162.99249	1.2
163.02704	6.4
163.04497	27.0
164.04584	1.6
165.00699	3.9
165.02435	7.3
166.05026	1.4
167.04007	32.3
167.05341	1.9
167.31572	1.2
168.01801	1.9
168.06531	4.5
169.03578	2.5
171.01414	7.9
171.04904	1.5
172.04491	4.9
172.97496	1.3
173.01546	1.6
173.02951	8.3
173.12827	3.7
175.00879	39.5
175.02522	2.0
175.04460	9.1
176.01080	3.4
177.00676	13.7
177.02434	10.5
177.06050	2.2
179.00661	1.8
179.02290	1.4
179.04012	2.1
180.01854	1.6
181.05554	5.5
183.01382	4.9
185.02933	4.1
185.06424	2.1
186.07585	1.8
187.00922	3.3
187.04469	3.7
187.14455	2.9
189.00801	2.2
189.02409	34.3
190.02556	2.4
190.05582	1.8
190.98605	2.8
191.02405	2.0
191.03998	7.7
193.00308	2.1
193.01936	17.2
193.05605	2.3
195.01660	6.3
195.03386	1.6
196.01375	2.1
196.14494	2.7
197.12910	2.2
198.02556	2.0
199.00891	5.9
201.00668	1.1
201.02402	29.4
201.06030	1.3
202.01358	4.5
203.00368	13.4
203.02177	2.6
203.03986	8.4
205.01811	2.4
205.05554	1.3
207.01631	2.8
207.03458	23.1
212.04010	3.8
215.03960	3.7
215.13794	1.5
217.01892	17.0
217.05434	2.7
217.52032	2.6
219.01596	2.9
219.03500	32.7
220.99449	1.5
221.01453	5.1
221.04964	7.9
223.01295	3.1
226.02473	1.6
226.98386	2.0
227.00363	16.3
229.01884	14.8
229.05365	1.4
230.02292	1.2
230.05043	1.4
231.03427	7.6
232.96584	1.5
232.99815	1.8
233.05037	6.4
235.00984	1.7
235.03183	6.5
237.02666	3.0
237.04671	7.8
240.03636	1.6
241.01956	2.6
241.05655	1.3
242.05020	2.9
243.03473	11.5
245.01498	32.8
245.05005	1.9
246.01595	3.5
247.02965	8.1
249.04665	6.5
254.99771	5.9
257.01459	3.2
259.03006	41.3
260.03238	1.7
261.04584	16.0
265.04007	1.4
266.01901	1.8
271.02975	3.8
273.00943	20.8
274.01157	1.8
275.02457	3.8
277.04224	17.8
279.05753	2.2
287.02457	50.8
288.02783	3.6
289.04199	1.9
291.01892	2.0
296.02713	4.1
300.05573	2.5
301.03766	1.3
305.03583	43.5
306.03635	3.5
315.01984	6.7
317.03549	5.0
319.05164	12.8
328.05023	2.6
329.18011	1.6
333.02878	6.5
337.06091	1.8
347.04733	5.9
347.22861	4.4
365.05365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
55.01838	0.4
55.05484	0.4
55.61019	0.4
58.06580	0.5
60.04503	0.5
69.07049	0.9
70.06563	0.5
70.84109	0.4
70.84472	0.9
71.04964	1.0
72.08141	4.7
77.03888	0.4
77.85887	0.3
81.07018	1.1
84.04488	0.4
84.08112	1.4
86.09673	0.9
88.07584	0.4
88.25227	0.3
91.05455	0.7
95.04951	0.5
95.08580	0.4
97.06517	0.5
99.08070	0.3
100.07600	1.5
103.05444	11.3
105.03393	3.1
112.11214	3.4
126.09138	2.3
128.10693	8.7
129.13840	0.7
131.04901	100.0
132.05228	2.9
136.07719	0.3
142.12248	6.1
154.12236	2.8
156.13820	0.8
162.09097	2.2
168.13765	0.4
173.12813	0.4
187.12283	1.2
188.10669	77.0
189.10999	2.6
199.17987	0.7
202.12228	0.7
204.96373	0.3
216.20625	0.5
243.10056	0.4
259.18036	0.7
272.37964	0.3
310.23834	0.4
328.23700	1.4
329.22205	2.1
346.24829	73.3
347.25174	5.9
368.14883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.96555	1.2
58.06590	5.1
60.04508	2.2
68.05011	1.1
69.03403	2.7
69.07056	18.0
70.06567	3.6
70.41820	3.9
72.07768	1.3
72.08144	19.3
73.06545	1.2
73.08490	0.9
79.05469	2.1
84.04481	2.6
84.08132	7.0
85.02922	1.6
86.06070	1.4
86.09692	12.1
87.04447	6.9
92.31359	0.9
95.42441	0.9
97.02876	1.1
97.06522	7.5
98.06044	6.2
98.09667	1.9
98.97562	1.1
105.06575	1.6
107.02831	0.9
108.08117	0.9
112.11233	6.7
115.07549	8.7
116.98560	1.3
126.09145	7.0
129.10207	1.1
129.13905	1.5
137.02377	1.3
140.10692	3.8
144.10173	54.1
154.12234	6.8
158.11768	2.6
168.13780	2.0
169.63611	0.9
171.14967	1.0
172.13313	42.0
173.13496	1.0
185.16464	3.5
186.14864	6.2
200.13953	2.0
213.15865	1.4
216.09767	1.1
229.19052	1.7
232.20128	1.7
243.20662	8.5
260.23315	21.0
280.37241	1.0
328.25891	15.1
346.26965	100.0
347.13052	2.5
347.27167	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	347.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48275	2.1
55.05500	2.2
56.05024	2.1
56.96556	100.0
60.04509	11.1
69.03441	3.1
70.06576	11.5
70.25945	10.5
70.98106	11.7
72.08144	20.5
73.02885	2.3
74.06074	3.8
74.97604	5.4
81.03403	1.9
83.06062	2.0
84.04497	19.2
84.08118	22.2
84.96009	6.6
85.02898	5.6
86.09684	27.4
87.05570	4.1
88.99149	9.0
91.05466	2.2
97.02864	2.0
98.97581	7.0
100.99129	5.6
101.00820	2.9
101.07119	5.3
103.02415	4.9
105.03394	2.3
107.00170	4.3
110.70720	1.9
110.97543	4.3
116.98595	3.4
117.04050	2.4
117.93405	2.0
118.08611	2.7
119.00167	7.6
119.01897	10.6
121.03493	3.0
128.10716	3.0
128.98595	12.1
129.10193	12.1
130.04965	24.8
130.96474	2.3
131.01897	5.2
133.01750	2.0
133.03468	5.2
133.04948	4.2
134.99675	4.6
135.04996	2.7
136.06166	9.0
143.00095	3.1
143.01871	10.3
144.98059	15.2
145.03346	4.1
146.99620	10.5
147.01343	4.7
147.07613	32.7
148.97531	5.1
149.02919	7.9
158.99655	9.9
161.01334	9.5
161.02901	17.2
162.99130	31.0
163.04523	3.1
165.00633	3.1
168.07571	2.1
173.01233	4.5
173.12842	16.5
175.00920	2.9
175.04494	3.9
177.00673	10.1
179.02287	4.2
181.00165	15.3
185.09232	8.7
189.00800	3.1
189.02440	7.3
191.02232	11.5
191.03691	2.3
193.01897	3.2
195.01683	2.3
199.01106	4.3
201.02428	5.2
201.04213	2.3
203.03946	5.2
205.00150	25.5
207.01706	3.2
207.03510	5.4
211.55673	2.1
213.00688	2.7
219.03590	2.6
221.05003	3.7
223.01228	57.4
227.02298	6.1
228.01762	2.3
235.01216	4.7
241.02180	9.5
245.01295	2.7
245.03474	4.6
246.02866	3.9
259.02939	5.6
271.01205	3.4
273.01117	2.0
285.08209	2.6
287.02475	7.3
287.09720	2.1
289.02350	3.3
333.51889	2.1
341.33981	2.3
347.02725	2.9
347.12527	2.8
347.22852	4.5
367.85513	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	345.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01852	5.3
55.05506	73.5
57.03429	25.3
57.07056	11.3
67.05492	68.8
69.06693	4.5
69.07061	85.1
70.06567	3.5
70.07364	3.1
71.04970	8.5
71.08601	4.2
71.70901	5.7
79.05492	28.1
81.07044	100.0
83.04966	9.2
83.08610	57.8
84.08171	3.2
85.06525	10.5
91.05468	23.4
92.58817	2.7
93.07031	32.1
95.04952	7.1
95.08592	97.8
97.06516	17.7
97.10152	34.0
99.04481	3.2
99.08088	7.6
100.11234	10.7
103.05450	8.3
105.07031	20.2
107.04935	4.4
107.08581	22.8
109.02953	4.1
109.06498	5.7
109.10139	41.0
111.08063	7.1
111.11742	15.1
118.91956	2.8
119.08589	13.9
121.10129	32.9
123.11688	15.6
123.15956	3.5
129.05455	4.1
131.04906	19.9
131.08505	6.5
133.10106	14.9
135.11665	32.1
137.05963	23.9
137.09570	8.2
137.13216	9.3
139.11137	5.8
147.11659	12.6
149.13252	9.2
151.03970	4.4
151.14795	4.3
153.12740	5.8
154.12132	3.5
159.07996	4.0
161.05925	3.5
161.13225	12.3
165.06949	6.5
165.12749	4.6
169.06555	3.0
175.14790	5.0
177.06950	3.3
179.14143	3.8
181.06448	3.0
182.15408	9.4
188.10645	3.7
191.07040	11.9
197.07985	3.6
207.07915	3.7
210.06667	5.9
217.19476	12.8
221.05998	4.9
222.06868	3.6
225.09129	4.8
226.19144	3.4
227.06996	2.9
235.07576	3.2
235.20500	17.7
238.06161	3.9
239.06905	5.6
253.08630	9.3
253.21651	6.4
267.10165	5.0
269.08142	3.9
270.08765	6.3
281.07874	3.8
285.11188	8.6
295.09665	10.8
299.09067	9.0
302.17514	4.5
309.24173	12.6
313.10648	46.9
314.11075	9.3
327.12207	6.0
327.25259	49.8
345.06177	6.9
345.09848	4.5
345.13373	34.9
345.20547	3.1
345.21774	4.2
345.26334	56.7
346.13275	4.3
346.20303	3.6
346.24591	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	345.2627
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.76422	1.1
53.03920	3.8
55.01848	3.3
55.05502	75.4
57.03428	28.6
57.07061	10.4
58.06578	2.6
59.05001	1.3
65.03926	2.7
67.05492	79.9
68.05821	1.5
68.85484	1.2
69.03416	1.1
69.07055	87.5
69.52219	12.5
71.04977	9.8
71.08617	9.6
72.08138	2.7
72.08941	4.6
73.09256	1.5
75.04441	1.3
79.05480	27.3
80.63996	1.4
81.07043	100.0
83.04970	7.3
83.08603	47.8
85.06519	7.9
85.10112	1.5
91.05460	17.7
93.07031	38.4
95.04961	3.8
95.08590	96.7
96.08940	1.8
97.06520	15.3
97.09577	2.1
97.10159	29.0
98.06820	1.2
99.08069	12.6
100.08372	6.1
101.06001	1.5
101.08559	1.7
105.07008	14.5
107.08572	22.0
109.06516	3.0
109.09410	2.0
109.10143	36.8
111.08069	7.9
111.11684	9.7
113.05989	1.6
113.09612	3.8
115.07558	1.8
119.08553	15.3
121.10130	28.4
123.08038	4.8
123.11687	11.4
125.09609	5.6
127.07520	2.0
129.05475	3.8
131.04880	2.5
131.08565	1.6
133.10103	14.5
135.11667	29.9
137.09570	4.4
137.13216	6.0
139.11137	5.9
147.11650	12.7
149.13231	7.0
151.11154	4.6
151.14781	3.4
153.12714	7.0
156.13831	11.7
157.14163	22.9
158.14430	21.1
159.14598	7.5
161.13272	8.9
165.12729	4.1
171.15868	2.1
172.15996	1.5
175.14824	5.3
179.14320	4.1
191.07072	2.4
193.19543	1.7
217.19469	14.9
235.20518	20.8
253.21564	5.9
299.08978	2.4
309.24203	11.4
313.10672	7.3
327.25247	48.4
328.25699	3.0
328.29211	1.5
345.13556	2.7
345.22079	2.0
345.26288	50.4
345.31946	58.9
346.26651	2.2
349.93356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01852	5.3
55.05506	73.5
57.03429	25.3
57.07056	11.3
67.05492	68.8
69.06693	4.5
69.07061	85.1
70.06567	3.5
70.07364	3.1
71.04970	8.5
71.08601	4.2
71.70901	5.7
79.05492	28.1
81.07044	100.0
83.04966	9.2
83.08610	57.8
84.08171	3.2
85.06525	10.5
91.05468	23.4
92.58817	2.7
93.07031	32.1
95.04952	7.1
95.08592	97.8
97.06516	17.7
97.10152	34.0
99.04481	3.2
99.08088	7.6
100.11234	10.7
103.05450	8.3
105.07031	20.2
107.04935	4.4
107.08581	22.8
109.02953	4.1
109.06498	5.7
109.10139	41.0
111.08063	7.1
111.11742	15.1
118.91956	2.8
119.08589	13.9
121.10129	32.9
123.11688	15.6
123.15956	3.5
129.05455	4.1
131.04906	19.9
131.08505	6.5
133.10106	14.9
135.11665	32.1
137.05963	23.9
137.09570	8.2
137.13216	9.3
139.11137	5.8
147.11659	12.6
149.13252	9.2
151.03970	4.4
151.14795	4.3
153.12740	5.8
154.12132	3.5
159.07996	4.0
161.05925	3.5
161.13225	12.3
165.06949	6.5
165.12749	4.6
169.06555	3.0
175.14790	5.0
177.06950	3.3
179.14143	3.8
181.06448	3.0
182.15408	9.4
188.10645	3.7
191.07040	11.9
197.07985	3.6
207.07915	3.7
210.06667	5.9
217.19476	12.8
221.05998	4.9
222.06868	3.6
225.09129	4.8
226.19144	3.4
227.06996	2.9
235.07576	3.2
235.20500	17.7
238.06161	3.9
239.06905	5.6
253.08630	9.3
253.21651	6.4
267.10165	5.0
269.08142	3.9
270.08765	6.3
281.07874	3.8
285.11188	8.6
295.09665	10.8
299.09067	9.0
302.17514	4.5
309.24173	12.6
313.10648	46.9
314.11075	9.3
327.12207	6.0
327.25259	49.8
345.06177	6.9
345.09848	4.5
345.13373	34.9
345.20547	3.1
345.21774	4.2
345.26334	56.7
346.13275	4.3
346.20303	3.6
346.24591	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	345.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24959	0.4
51.00240	0.4
52.12282	0.4
53.67111	0.5
55.01865	0.4
55.05493	2.1
56.05009	0.5
56.84335	0.4
58.02944	1.3
58.06589	2.8
59.04974	0.5
67.05483	1.0
69.03344	0.4
69.07055	25.3
70.05552	2.4
70.06573	2.5
70.07384	0.5
71.63631	0.5
72.08139	11.8
73.06549	4.8
76.07620	0.4
79.05464	1.9
81.07043	0.7
84.04464	2.1
84.08128	3.1
85.02873	0.5
85.03962	0.5
86.02405	3.0
86.09679	0.9
91.05442	0.5
96.08127	1.2
97.06512	6.0
98.06029	2.8
98.09679	2.6
104.03433	1.6
110.09686	0.6
112.07573	0.7
112.11224	1.3
113.07108	5.1
115.05030	26.5
115.07549	8.5
118.39600	0.4
124.03949	0.8
126.09128	9.3
127.08653	0.8
137.05943	0.7
139.08673	0.8
143.08133	37.6
147.04370	2.8
148.04713	3.8
154.12242	14.9
155.11758	13.6
157.09726	2.6
165.05530	1.0
166.05867	2.4
168.13817	2.2
172.13283	53.9
173.13713	0.5
186.14864	6.3
197.68935	0.4
200.13951	0.5
203.17557	0.5
214.15419	3.1
231.18083	3.4
273.03821	1.0
286.21115	0.6
327.23929	3.1
328.22177	0.7
345.24902	100.0
346.25223	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	345.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01846	3.7
55.05503	79.3
57.03203	2.2
57.03428	26.3
57.07063	11.7
63.18818	2.3
67.05146	4.5
67.05496	85.0
69.03414	2.4
69.06693	4.9
69.07058	91.2
70.83064	5.9
71.04973	9.0
71.08597	6.2
72.08137	3.3
72.08936	3.3
72.93759	2.1
75.40657	2.4
76.19279	2.0
79.05069	3.2
79.05479	28.1
81.07044	99.4
82.07382	3.1
83.04961	4.3
83.08605	49.3
83.95505	2.2
85.06512	6.9
91.05464	24.2
91.15206	2.6
93.07030	39.3
95.08588	100.0
96.08925	2.7
97.06516	14.2
97.09589	2.7
97.10162	34.8
99.08064	9.7
100.08432	3.9
105.07011	16.8
105.69829	2.3
107.04927	3.1
107.08578	26.3
109.06544	2.7
109.10137	41.7
109.82487	2.2
111.08032	9.2
111.11691	9.6
112.56277	2.5
113.09649	2.9
119.08559	17.0
121.10130	32.3
123.08051	4.7
123.11655	9.8
125.09618	5.1
126.91995	2.3
131.04893	4.5
133.10081	15.3
135.11668	31.3
137.05946	4.7
137.09590	4.0
137.13263	8.5
139.11189	4.7
147.11679	10.4
149.13237	4.1
151.11156	6.9
151.14816	4.7
153.12724	5.2
156.13808	9.9
157.14211	11.3
158.14418	9.3
159.14616	4.4
161.13272	13.4
165.12767	4.6
169.21159	2.3
175.14842	7.1
191.06973	4.6
217.19466	14.9
224.08304	3.0
235.20525	19.7
253.21548	7.5
269.07480	3.2
285.11105	3.3
308.30301	2.3
309.24191	12.2
313.10559	15.4
327.21619	4.5
327.25232	52.3
345.13232	6.7
345.26273	46.7
345.31927	32.1
355.63229	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	345.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01867	11.0
55.05503	51.9
57.03427	12.8
57.43681	1.2
65.03931	1.4
65.53675	1.1
67.05496	37.3
69.03420	2.3
69.07060	9.9
71.71399	1.5
75.13612	1.2
79.05485	39.8
80.73106	1.3
81.07045	30.4
83.04970	5.0
83.08609	13.1
91.05463	21.6
93.07034	12.0
94.57007	1.3
95.08584	6.2
97.10152	32.0
103.05470	1.4
105.07012	7.2
107.04942	1.7
107.08580	25.0
107.09317	1.4
108.08881	1.4
109.06479	1.7
109.10141	8.5
111.08070	2.0
115.05433	20.6
116.06211	1.6
116.31430	1.4
117.06999	87.0
119.08557	21.1
121.06470	1.2
123.08073	1.9
125.09612	26.2
125.47715	1.2
128.06206	3.6
129.06993	8.0
131.04890	1.5
131.08548	9.3
133.06464	1.6
133.10092	2.2
135.08014	11.8
141.06967	3.3
142.07738	4.7
143.08539	16.4
143.10558	1.8
145.06462	100.0
145.10135	7.6
146.06781	2.6
147.07991	5.9
153.09081	5.5
154.07765	1.3
155.08559	5.0
157.10098	15.4
159.08017	6.3
159.11676	4.0
161.09544	2.3
167.08537	1.6
169.10112	6.4
170.10857	1.3
171.10191	3.7
171.11597	2.5
173.09686	2.4
173.11725	2.3
173.13211	2.0
179.08556	1.5
183.11707	4.8
184.07799	1.3
185.09642	1.8
185.13188	1.5
189.11212	20.3
189.12877	2.2
191.06953	1.2
193.10083	1.8
197.13217	1.6
209.13135	1.8
211.11081	1.5
211.14807	1.7
225.16373	10.6
227.12712	1.3
235.14890	4.7
243.17401	9.2
253.15790	8.6
271.16895	93.2
272.17258	3.8
289.18085	2.1
313.10529	5.9
345.13062	2.1
345.20544	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	345.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14141	32.9
57.46229	34.4
70.96556	100.0
75.75375	32.4
78.75677	30.9
86.99946	32.6
92.04815	35.7
127.67616	39.6
179.53314	37.8
199.38429	36.6
285.07755	36.9
345.17801	53.7
345.27585	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93749	7.6
55.01870	17.2
55.05489	30.8
67.05485	56.1
69.07049	29.9
69.18938	9.1
70.13779	29.9
71.60283	8.8
79.05479	65.6
81.07055	62.6
83.04961	16.9
83.08591	26.6
91.05479	53.9
91.30244	8.6
93.07018	62.8
95.04946	22.2
95.08583	31.4
97.06482	10.0
97.10218	10.6
105.07019	40.7
106.08686	10.1
107.04922	18.4
107.08569	37.8
109.10161	15.4
117.06964	24.8
119.08559	37.1
121.06445	10.0
121.10139	44.0
122.59679	11.0
131.08560	27.1
133.10098	34.9
133.25073	9.3
135.11671	26.7
145.10088	38.7
147.11626	13.0
149.09616	42.1
159.11716	21.3
163.11159	41.7
258.95612	9.7
274.75488	9.5
275.20023	100.0
307.22507	16.0
307.25900	9.7
313.17352	24.3
345.19958	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	345.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
55.05489	3.0
57.03427	1.8
57.07048	1.0
58.06586	1.1
58.42591	0.8
61.02905	1.1
63.30060	0.8
67.05476	3.0
69.03419	9.0
69.07049	12.4
70.06564	2.4
71.08598	2.6
71.53129	0.7
71.70222	1.1
72.08129	2.0
72.08962	0.8
72.12814	0.8
74.06051	1.5
79.05486	3.4
80.41345	0.8
81.03389	2.8
81.07044	22.0
83.04979	4.0
83.08605	0.9
83.11565	0.8
84.04475	1.9
84.08114	1.8
85.02895	8.3
85.06522	5.6
85.08447	0.8
86.09675	8.1
91.05462	1.8
93.07018	2.6
95.04955	2.1
95.08598	6.0
97.02900	2.4
97.06485	2.0
99.04426	3.7
99.08080	15.3
100.08413	1.7
101.06014	1.0
101.07144	1.6
103.05447	1.0
103.93468	0.7
105.07026	1.9
107.04939	0.8
107.08560	3.4
109.06512	6.0
109.10149	2.8
111.08032	2.0
112.07586	1.2
112.11210	1.2
113.05978	1.4
119.01885	1.2
119.08588	1.5
120.08102	1.0
121.06531	0.9
121.10128	10.8
122.02711	1.8
123.08045	2.7
123.11684	5.6
125.09614	9.4
127.03910	1.9
127.07527	3.0
131.04930	1.1
132.01128	1.0
137.05901	2.0
137.09590	2.0
137.13220	2.1
139.11151	10.0
147.11696	3.0
149.05948	8.1
150.06300	8.2
156.13823	10.9
157.14191	9.9
158.11749	3.2
159.12062	2.3
165.12749	4.6
172.04019	1.0
172.13063	1.0
178.07770	1.0
183.13774	100.0
184.14117	3.4
187.14392	6.1
191.07019	1.0
201.65106	0.8
204.06557	1.1
205.12234	2.9
206.12570	6.6
243.10646	2.1
244.10989	1.0
245.24088	2.6
248.41556	0.8
285.11267	0.9
299.05579	1.1
302.04144	1.3
313.10626	3.6
327.28467	1.9
345.06024	4.8
345.15164	24.1
345.25562	2.2
345.29327	21.0
346.06476	1.2
346.15305	1.0
351.61945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05489	0.6
55.47178	0.6
56.96301	0.9
56.96559	12.1
57.03426	2.9
58.99859	9.2
60.05618	0.7
61.02918	3.4
67.92458	0.5
69.03416	0.9
70.06586	7.9
70.42379	1.7
70.42767	1.1
70.98110	2.2
70.99850	4.8
71.01325	0.7
72.08146	1.7
73.01398	1.2
73.02911	1.3
77.00896	13.5
81.03391	0.6
83.01310	0.9
84.04507	1.7
84.08138	3.2
85.02879	1.9
86.03276	0.6
86.09720	3.0
88.99143	2.1
89.00902	4.7
91.02450	6.2
91.99946	0.6
95.01929	5.2
96.37020	0.5
97.02870	0.7
98.97581	4.3
100.02443	0.8
101.00871	6.6
107.01923	0.7
109.03480	4.2
110.97504	0.8
112.08719	1.3
113.00900	1.0
115.02419	2.2
116.07090	0.9
116.98624	4.0
118.01085	1.5
118.03511	0.7
119.01910	28.2
120.01965	0.7
121.01656	1.0
121.02808	0.9
122.07111	2.0
122.07928	0.7
123.05022	0.8
125.81688	0.6
126.98794	1.4
127.01508	0.9
128.98633	1.4
129.10239	0.8
130.93292	1.7
131.01866	6.7
131.02594	0.6
133.01578	1.3
133.03455	7.5
134.99646	1.9
136.07626	0.7
137.02959	5.1
138.98703	1.1
141.01282	1.7
142.03416	0.6
142.96483	1.2
143.00200	0.7
144.99808	6.9
145.03458	3.1
146.99597	2.5
147.01343	1.7
147.05074	0.7
148.94360	1.3
149.02946	21.1
150.01836	0.9
150.03310	0.8
151.04506	1.2
152.05663	0.8
156.99786	5.0
157.02509	0.8
158.99657	1.3
159.01355	2.7
160.97575	0.7
161.01106	0.8
161.01682	0.7
161.02908	4.4
163.00835	1.2
163.04517	5.5
164.00743	0.7
165.00746	2.0
166.04953	1.0
167.04005	6.3
171.01378	1.7
172.04561	1.1
172.94377	1.5
172.99307	5.8
173.02936	2.1
175.00865	100.0
176.00990	4.2
177.00850	2.6
177.02440	5.8
179.00453	0.9
179.03932	0.6
181.05603	1.0
182.01544	1.4
183.07626	1.1
186.99283	0.9
187.00877	3.4
188.97050	0.9
189.00815	1.1
189.02385	5.4
190.51570	1.0
190.95428	4.0
190.98613	2.7
191.00383	4.3
191.02148	2.1
191.04004	2.8
193.01926	43.1
194.02081	1.9
195.03496	1.1
196.99318	0.9
197.01382	0.7
198.02486	5.1
199.00874	0.7
201.00810	1.1
201.02496	1.2
203.00606	0.8
203.02356	1.3
205.00156	1.9
205.01901	5.0
207.03467	7.7
208.96394	1.3
214.02365	2.1
215.00458	3.5
216.52698	0.8
216.96942	2.3
217.01863	3.1
218.03537	0.8
219.01776	2.9
219.03735	1.4
220.02194	1.0
221.05070	1.0
223.01192	0.8
224.98737	11.5
225.00761	0.9
225.04391	0.7
226.02385	2.4
229.01956	4.7
231.01895	0.9
232.10381	1.4
232.52495	1.0
232.96431	1.7
232.99628	1.3
234.97958	1.2
235.02959	9.1
235.53061	1.9
236.99605	0.9
242.03627	1.3
242.99843	42.1
243.01909	2.1
243.99971	2.8
247.03006	6.8
250.97406	1.7
255.02031	2.1
257.01404	17.6
259.02942	1.2
260.95895	2.4
261.00864	6.3
261.03256	1.5
263.00848	1.4
266.01453	3.1
270.99335	14.5
273.03238	2.3
275.02457	19.8
276.02609	0.9
278.97098	1.1
282.11057	0.8
284.53198	0.9
285.00836	12.5
285.03680	1.2
289.00354	5.4
294.00790	1.1
294.03775	1.2
298.04044	2.1
302.96716	1.5
303.01950	23.4
303.17746	1.9
304.02206	1.6
306.03992	1.1
313.00406	2.3
315.04700	0.9
320.98022	2.8
321.02533	0.9
326.03574	1.8
331.01471	4.6
345.02573	0.8
345.22214	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
57.07065	10.3
58.06588	2.6
58.99579	0.6
62.98932	0.4
69.06692	0.8
69.07057	12.6
70.04350	2.9
70.06571	1.1
72.08144	5.7
73.06528	1.2
75.06771	0.4
76.02206	0.5
81.07026	0.5
84.04489	0.8
84.08134	2.5
85.06525	10.7
86.00623	1.4
86.09686	4.8
88.03951	0.5
89.06001	1.2
90.05074	0.5
93.07026	0.5
96.08100	0.6
97.06499	3.5
98.06055	2.2
98.09662	2.4
101.00574	3.6
112.11197	3.5
114.09150	2.8
115.07549	5.2
122.02698	2.0
125.02893	1.0
126.09136	6.7
132.01128	3.9
133.08514	0.8
133.79634	0.5
142.12247	61.2
143.12581	1.2
152.05293	1.2
154.12248	10.0
156.13829	3.6
165.17915	0.4
167.05759	0.4
167.07019	8.4
168.13811	1.7
172.13295	37.6
173.13701	0.6
186.14850	2.8
190.05225	2.4
198.05841	3.8
213.19531	1.6
223.13239	0.8
230.22235	3.1
273.04083	1.1
326.28006	3.6
327.26288	1.3
344.07675	1.3
344.29016	100.0
345.29321	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	344.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59861	0.5
55.05503	1.1
57.07066	6.4
58.06605	2.9
60.03597	0.5
61.05726	0.5
69.07063	14.5
69.63510	4.0
70.06586	0.8
72.08145	6.9
73.06540	2.3
79.05494	0.9
79.08292	0.6
84.04483	0.6
84.08125	2.5
85.06528	9.0
86.09686	1.3
88.31225	0.5
96.08118	0.8
96.76515	0.5
97.06511	4.1
98.06020	2.0
98.09667	1.8
102.09149	0.6
112.11230	3.6
114.09148	4.0
115.07542	5.6
119.30582	0.6
126.09124	6.1
141.13828	1.1
142.12251	71.1
143.12593	1.2
149.05997	1.0
151.27646	0.5
154.12253	8.8
156.13809	5.5
168.13792	2.4
172.13303	33.7
186.14903	4.6
193.19598	0.6
213.19603	2.3
230.22267	3.4
243.20628	1.0
260.23526	0.9
326.23395	0.8
326.27963	3.3
327.26215	0.9
344.29025	100.0
345.11481	0.6
345.29330	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	23.3
55.05486	40.9
67.05492	83.0
69.07028	42.0
70.00257	36.0
70.00674	70.3
71.08627	24.5
79.05479	58.4
81.07042	100.0
83.04978	31.4
83.08611	46.2
91.05453	47.7
91.95301	19.3
93.07024	80.7
95.08588	68.3
98.20693	33.1
99.08054	29.0
100.11240	23.9
105.07001	45.5
107.08547	43.2
109.10126	23.2
109.57197	20.2
119.08514	23.5
121.10146	31.6
129.06960	21.3
133.10094	35.0
135.11600	28.4
139.11214	46.0
149.13237	28.7
159.11656	18.6
161.13293	22.3
163.11171	27.1
173.13133	19.8
231.20901	19.8
253.84761	21.4
277.21655	50.4
332.06967	26.2
346.24863	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.6
56.96544	12.8
67.05486	26.5
67.07871	7.6
67.14230	6.9
69.07043	14.4
69.96531	45.3
71.08604	9.0
71.12090	7.0
75.79601	7.3
79.05482	17.3
81.07032	28.9
83.51590	9.0
91.05460	12.9
93.07045	35.3
95.08592	16.5
98.21431	12.1
99.08070	12.2
105.07005	12.7
107.08588	20.5
109.10143	9.8
119.08552	8.8
123.39027	6.7
149.13277	8.4
175.14822	8.3
195.13847	15.4
263.83466	7.9
277.21628	15.5
291.23117	13.6
344.37994	30.1
345.20352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43219	0.3
51.37996	0.3
54.78864	0.3
55.05284	0.3
55.05504	2.4
58.06594	2.9
59.04979	0.6
69.07060	0.6
69.37193	0.3
70.06575	1.6
71.08620	12.0
71.69675	0.5
72.07774	0.4
72.08149	7.4
79.04890	0.3
79.53799	0.3
80.93797	0.3
81.07023	0.4
82.06537	0.4
83.04961	1.1
84.04477	0.9
84.08138	2.6
86.09673	0.8
91.05476	0.6
93.07028	0.8
96.14637	0.3
98.06029	1.0
99.08082	18.9
100.03966	0.4
101.02358	1.2
101.06006	4.4
112.03947	1.9
112.07570	0.7
112.11245	2.8
122.02715	0.6
123.08073	0.6
128.10684	2.7
129.13841	0.4
130.04935	0.5
137.05969	1.2
140.07050	4.1
142.12250	0.9
149.05963	7.2
154.08649	0.4
154.12245	2.9
155.15469	0.7
156.13818	100.0
157.09718	0.4
157.14230	2.0
158.08112	8.9
158.11749	7.7
170.15395	3.0
171.58199	0.3
172.09698	0.4
172.13313	5.7
173.16467	0.6
205.12212	3.9
206.12657	0.4
227.21167	2.5
229.15480	0.6
229.19008	0.6
244.23801	2.9
249.25534	0.3
266.30948	0.3
281.05005	0.3
326.24298	1.2
326.28009	3.3
327.26318	1.5
337.45844	0.3
344.25299	19.4
344.29080	74.8
345.05960	1.1
345.25632	1.5
345.29410	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	344.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74252	7.7
55.01853	21.2
55.05511	97.6
57.07069	8.8
67.05492	81.9
69.03403	18.1
69.07042	47.7
71.08617	55.2
71.20397	30.3
79.05496	61.8
81.07048	89.3
83.04956	23.8
83.08588	55.5
85.64103	10.6
88.07593	25.5
89.10416	7.9
91.05461	40.8
93.07049	62.0
95.04948	20.1
95.08586	55.3
97.06502	16.0
97.10158	100.0
99.08054	48.9
100.11208	17.8
105.07014	26.4
107.08578	53.4
109.10083	12.5
111.17520	9.5
117.06947	13.0
119.08527	28.6
121.10088	24.2
124.75427	9.0
125.09612	79.4
129.07005	9.3
131.08531	10.7
133.10138	24.1
135.08064	21.4
135.11639	23.8
139.11177	43.4
140.14339	8.6
145.10068	12.3
147.11664	25.3
149.13228	16.4
151.11150	11.3
153.09148	17.6
157.12143	9.8
159.11632	12.4
161.13266	17.8
171.01083	10.0
173.13281	10.2
173.67848	9.7
190.39854	8.3
203.12772	77.2
241.69948	9.1
256.54755	9.0
259.20413	11.6
277.21655	77.7
291.23175	16.8
344.31470	8.5
345.20459	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	344.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01861	5.3
55.05234	3.5
55.05499	62.0
57.07032	2.2
59.04974	2.8
64.74253	2.4
66.26640	2.1
67.05492	27.3
69.03402	6.5
69.07050	15.4
70.46191	1.8
71.08247	3.8
71.08616	54.4
71.60751	5.2
79.05479	29.0
81.03398	5.6
81.07036	23.7
83.04945	7.8
83.08604	42.0
91.05447	11.5
93.07029	21.3
95.04957	5.5
95.08589	10.5
97.06515	3.1
97.10150	82.0
98.10487	3.0
99.08070	43.9
105.06973	10.1
107.08577	39.8
109.06504	2.7
109.10125	8.2
111.08047	4.2
117.06973	3.3
119.08582	5.1
121.10102	7.4
125.09615	84.8
126.12719	4.3
131.08536	3.4
133.10080	5.7
135.08025	18.2
135.11633	11.7
137.09492	2.4
139.07506	3.9
143.08525	2.1
145.10088	5.1
147.11642	3.1
149.13245	2.9
151.11185	15.8
153.09114	14.1
157.10124	3.5
157.12209	6.9
159.11635	3.1
161.13255	8.1
162.61070	2.1
163.11134	8.6
171.10121	5.7
171.11610	4.6
175.14796	5.6
179.14281	6.4
189.12646	2.0
193.15884	4.9
203.12743	100.0
212.16426	4.2
213.85095	2.3
225.18404	4.9
231.21117	2.3
241.19458	6.9
259.20508	11.5
277.21582	59.1
278.21878	2.7
291.23184	14.1
309.24203	20.9
345.24057	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	344.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05504	21.6
57.07063	3.1
67.05482	9.1
69.03397	2.1
69.07065	4.8
70.72835	1.9
71.08620	31.1
71.70194	3.7
79.05472	10.0
81.07045	14.0
83.08607	13.8
91.05457	6.0
93.07026	11.1
95.08572	5.2
97.10150	28.4
99.08082	35.9
105.07002	7.5
107.08588	12.5
109.10162	5.4
117.06993	3.9
119.08554	2.3
121.10133	4.1
125.09614	34.8
126.37551	2.0
133.10104	4.3
135.08023	9.1
135.11687	5.0
139.07590	2.2
145.10069	3.3
147.11639	2.7
149.13203	2.8
151.11131	6.3
153.09081	5.9
157.12224	2.4
161.13235	4.4
163.11230	3.3
171.10187	2.6
171.11650	2.3
179.14307	3.0
182.30727	2.1
192.36656	1.8
194.10858	1.8
196.88536	1.8
203.12750	38.3
205.81818	1.8
226.17915	2.7
231.21144	2.0
259.20633	5.5
261.05161	2.0
277.21600	27.2
291.23245	5.4
309.24323	5.1
314.76315	1.8
344.35291	2.3
345.20334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.5
55.05493	16.2
57.03429	12.6
67.05492	36.6
69.06730	5.6
69.07067	41.2
71.04977	17.4
74.48404	5.8
79.05484	36.9
81.03388	10.3
81.07035	40.0
81.69533	6.9
83.04990	10.8
91.05461	25.6
93.07024	24.7
95.04955	25.6
95.08589	23.8
97.06520	100.0
97.10132	6.5
99.08053	6.8
105.07003	25.1
107.08533	16.4
109.06526	12.0
109.10124	7.3
115.07528	30.8
117.06987	21.9
119.08543	20.3
121.10129	7.0
131.08557	14.2
133.10106	15.5
200.15834	7.0
273.18347	8.1
313.10562	7.6
344.11865	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	344.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	0.3
53.25413	0.3
55.05490	0.7
58.06592	3.7
63.55209	0.3
69.07042	1.3
70.06561	1.0
71.08618	11.2
71.68529	0.8
72.08138	4.4
81.07030	0.6
84.04484	0.8
84.08132	2.7
85.06513	0.9
86.00652	0.5
86.09669	0.4
91.05453	0.9
93.07025	0.6
95.04910	0.4
98.06005	0.5
98.09684	0.4
99.08079	21.2
100.03951	1.6
100.07608	0.6
101.00604	0.3
101.02357	0.7
103.05450	0.3
107.08540	0.4
112.03935	0.4
112.11228	2.5
119.04899	0.4
121.02850	0.5
121.06466	0.4
122.02623	0.6
126.09145	1.9
128.10684	2.4
129.13818	0.7
130.05023	0.3
132.01094	0.4
135.11732	0.4
137.05959	1.3
140.10579	0.3
142.12250	4.3
149.05966	6.8
152.05254	0.8
154.08624	2.3
154.12236	2.4
155.15388	0.5
156.13814	100.0
157.14148	1.9
162.06749	0.4
165.05492	0.4
170.11832	0.4
170.15417	0.3
172.09657	3.4
172.13293	3.4
173.16554	0.4
198.05740	1.6
201.12343	0.5
205.12230	3.4
211.14436	0.4
213.19618	0.8
227.08450	0.5
227.21127	1.2
229.15448	0.8
230.22252	2.1
244.23849	1.9
246.18100	0.4
298.07852	0.4
326.24292	1.7
326.28046	1.1
327.22849	2.2
344.25385	65.5
344.29071	6.6
345.12885	0.3
345.25735	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	344.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.32785	0.3
55.01860	1.1
55.05485	0.7
56.23580	0.3
58.76149	0.3
58.99568	1.3
59.04988	0.5
67.05477	0.5
69.03439	0.4
69.07062	0.3
70.06575	0.5
71.08617	0.8
71.15956	0.7
72.08162	0.9
76.02216	3.1
79.05453	0.3
81.07052	0.3
83.04968	1.9
86.00640	3.9
86.09689	1.6
86.99038	1.0
91.05450	3.5
93.07030	7.7
95.04946	1.2
95.08582	1.0
97.06512	0.9
99.08051	0.7
101.00593	3.4
101.06065	0.3
103.05437	0.5
105.00059	1.6
105.03368	0.4
107.08571	2.0
109.10119	0.4
109.88408	0.3
111.08073	0.9
119.08540	0.3
121.06483	6.2
121.10127	1.1
122.02713	8.1
123.08048	3.7
125.05978	0.5
125.09610	1.1
126.03713	0.5
132.01126	6.4
135.08063	0.6
135.11676	3.9
137.09595	0.5
139.07516	0.7
145.10080	0.5
147.07893	0.4
149.05951	100.0
150.06293	2.8
153.09088	0.5
156.13815	5.2
158.08115	0.5
158.11752	1.2
159.11635	1.0
160.14261	0.3
162.09146	0.3
163.11174	3.4
165.09103	0.9
170.15451	0.3
172.13280	0.5
177.12749	0.9
181.12148	0.5
185.16429	0.6
187.11087	0.4
187.87769	0.3
190.05228	0.3
194.93839	0.3
205.12207	50.3
206.12560	1.7
223.13266	0.5
224.91386	0.3
244.23677	0.4
268.10117	0.3
272.26794	0.3
301.54837	0.3
326.28061	0.3
344.15198	1.3
344.19220	0.6
344.25357	0.6
344.29001	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	344.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58531	0.5
52.77317	0.6
55.01847	0.6
57.03430	0.8
61.02903	1.1
69.03416	3.7
69.40937	6.3
70.06592	0.6
81.03400	1.5
81.07688	0.5
81.35500	0.6
85.02885	15.6
85.79698	0.5
86.09693	0.5
91.05460	6.5
95.05010	0.6
97.02878	4.5
109.02843	1.5
109.06125	0.5
116.07076	0.8
117.84746	0.6
119.04927	17.1
123.04406	2.0
124.94765	0.5
127.03881	2.8
129.10301	0.6
145.04942	3.5
147.04379	100.0
148.04720	2.0
158.99704	0.6
165.05450	49.7
166.05746	1.4
178.55258	0.5
180.08644	1.1
244.86731	0.5
300.00803	0.6
308.11676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52366	0.9
53.03931	2.7
55.01861	2.9
55.05506	22.0
57.03427	16.9
57.07069	2.3
57.87090	0.9
58.99575	2.3
65.03932	3.4
67.05495	77.6
69.03403	1.7
69.07066	14.9
70.06593	1.6
70.82267	3.2
71.04980	17.0
71.05334	1.7
71.08641	1.0
79.05480	41.6
80.05002	2.5
81.07045	100.0
82.07354	1.4
83.04972	3.8
83.08603	11.1
84.04482	1.9
85.02877	1.7
85.06525	5.5
86.09711	1.2
86.99031	2.9
91.05466	18.5
93.06432	1.8
93.07033	35.3
95.04964	3.6
95.08594	81.5
96.04428	1.0
96.08924	2.3
97.06525	6.2
97.10170	4.5
99.08074	6.0
105.07021	15.2
107.04961	2.6
107.07946	0.7
107.08571	22.6
109.06506	2.9
109.10140	37.6
111.08076	3.7
114.03720	2.6
115.05464	1.2
116.01662	9.6
117.05485	1.9
117.07014	3.5
119.08558	12.5
121.10123	23.0
123.08047	2.1
123.11687	13.5
125.09650	2.0
128.82709	1.1
130.05035	0.9
131.04951	2.0
131.08562	9.4
133.10110	14.3
133.79185	0.9
135.08124	1.2
135.11682	17.7
137.02261	1.1
137.05980	3.2
137.09608	3.0
137.13246	2.6
142.03195	14.8
144.01137	2.8
145.10085	7.9
146.03558	1.0
147.11668	7.4
149.05907	1.6
149.13246	7.3
151.11189	4.8
152.13789	0.9
155.10716	1.2
156.13811	1.0
159.10602	1.1
159.11679	6.3
161.04781	1.4
161.05928	6.3
161.13235	1.5
162.02182	11.5
163.03816	0.9
163.07567	2.2
163.11182	3.0
165.09290	1.2
165.12700	1.3
170.02693	5.7
173.13174	5.0
175.07512	3.8
179.03506	0.9
181.12239	1.3
183.55502	1.0
187.14803	3.6
195.13811	1.3
196.07904	1.2
203.17990	1.0
205.10033	1.0
205.15849	1.0
209.15363	2.1
215.17896	12.6
221.18990	1.3
222.09438	1.3
227.04755	1.1
233.18967	17.2
237.08986	1.5
243.82739	0.9
245.05962	2.8
249.18521	1.0
251.20000	11.0
260.09622	1.2
261.09100	1.3
265.08536	3.4
267.19730	1.1
269.21072	1.4
284.10532	1.3
293.11667	2.4
297.11243	3.3
297.14764	0.9
299.12741	1.5
307.22623	3.0
311.12930	2.2
325.14236	2.8
325.23682	19.4
343.11844	2.8
343.15332	2.7
343.24698	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	343.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01857	4.5
55.05505	19.3
56.96573	1.0
57.03429	19.0
57.07065	1.9
58.99576	2.7
59.25416	0.8
59.43792	0.9
65.03931	4.0
67.05496	86.6
69.03409	1.9
69.07060	20.5
70.06586	3.3
71.04981	18.6
71.08640	0.9
71.70214	1.2
72.08144	2.1
75.04465	1.7
79.05482	35.0
80.05009	2.0
81.03398	1.7
81.07047	100.0
82.07380	1.1
83.04980	4.5
83.08607	11.4
84.04488	1.9
84.08134	1.5
85.02882	2.0
85.06530	9.6
86.09701	2.4
86.99049	3.1
87.02680	1.8
91.05462	22.1
93.07031	35.8
95.04966	4.3
95.08595	80.0
96.08932	1.9
97.06512	11.4
97.10149	5.8
99.08069	8.4
101.06006	1.1
103.03929	2.9
103.05428	1.5
105.04590	1.0
105.07010	17.3
107.04990	1.0
107.08581	24.9
109.06523	3.0
109.10143	46.4
111.08067	5.0
113.09618	1.4
114.03749	2.7
115.05439	1.0
116.01662	9.7
117.07029	5.3
119.08576	13.8
120.08168	0.9
121.06488	2.3
121.10133	26.3
123.04425	1.3
123.08064	3.4
123.11695	13.2
125.05981	1.4
125.09625	2.4
127.11124	1.1
127.12907	0.8
129.07051	1.7
130.04970	1.2
131.04935	1.7
131.08565	10.7
133.10110	18.0
135.08040	1.8
135.11670	20.0
136.07536	2.5
137.05945	7.3
137.09593	4.9
137.13246	3.1
139.11166	2.3
142.03194	16.4
144.01138	3.6
145.10104	9.2
147.11693	8.0
149.05963	2.2
149.09653	1.9
149.13266	9.3
150.42477	1.0
151.07550	1.5
151.11153	5.5
153.05434	10.6
153.12746	3.2
156.13875	1.0
159.11658	8.1
161.05968	1.1
161.13297	2.7
162.02180	13.4
163.07515	4.6
163.11156	2.8
163.14803	1.2
165.12762	1.4
170.02728	7.0
171.13789	1.3
173.13242	6.5
175.07509	1.7
175.14815	1.9
177.12769	2.3
181.04945	2.6
181.06458	1.2
181.12202	1.4
184.82794	1.0
187.14818	3.2
189.09068	2.5
189.16411	1.9
191.14317	1.6
195.13803	2.5
196.07878	1.1
203.17990	1.8
209.15408	1.3
215.17952	13.8
216.06766	1.6
221.18837	1.4
222.09406	1.4
227.04813	1.2
233.18964	17.9
245.05888	2.4
249.18367	1.3
251.20041	19.2
253.08656	1.0
260.09387	1.4
265.08710	1.1
269.21078	1.8
273.03928	2.0
283.09512	1.2
293.08075	2.3
295.22617	1.2
307.22641	4.9
308.13019	2.9
311.12674	1.4
319.06882	1.0
323.09613	1.0
325.23712	19.3
326.14349	1.8
326.24088	1.5
343.04459	1.5
343.11539	4.4
343.15381	1.6
343.24689	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	343.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	13.3
55.01856	9.3
55.05506	50.2
56.28124	6.8
57.07050	8.7
67.05499	71.6
67.17386	6.9
69.07051	25.6
71.04986	15.1
71.55684	7.4
79.05482	43.3
81.03394	12.0
81.07040	48.5
83.04966	9.5
83.08606	23.8
85.06548	8.1
91.05450	44.5
93.07034	98.4
95.04950	99.3
95.08590	70.4
97.06470	13.4
98.20738	18.4
105.07008	100.0
107.08586	71.8
109.06486	27.4
109.10139	22.9
111.08056	11.9
117.06979	20.2
117.46498	7.2
119.08595	37.7
121.06500	17.6
121.10132	36.2
123.08038	31.5
131.08537	20.8
133.06473	8.7
133.10141	27.6
135.08006	14.9
135.11687	18.1
137.09595	14.9
143.08571	10.4
145.10126	56.4
147.11717	16.0
149.09616	22.9
157.10130	15.3
161.09563	12.6
163.11137	30.1
165.12724	28.6
181.12215	9.3
275.20084	41.3
311.17569	9.0
343.22876	13.6
343.37601	9.4
347.36984	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	343.2261
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03928	8.9
55.01860	4.9
55.05503	23.1
57.03412	14.0
57.07052	11.6
58.06537	2.9
59.04980	5.7
60.04508	2.8
65.03924	4.3
67.05494	31.9
69.03420	15.2
69.07044	9.4
71.04981	26.8
79.05480	31.7
81.03409	3.8
81.07039	36.0
83.04966	8.9
83.08594	4.2
85.06512	5.2
91.05463	39.9
93.07027	83.6
95.04949	75.0
95.08591	100.0
97.06525	15.3
97.10145	4.8
105.07008	91.5
107.04926	5.0
107.07908	5.3
107.08572	58.9
108.08890	5.2
109.06509	19.3
109.10130	6.0
111.08034	3.7
115.05423	7.1
117.07002	30.0
119.08561	33.7
121.06489	13.8
121.10136	20.1
123.08041	33.7
125.05995	3.7
125.09591	5.3
128.06206	6.0
128.22214	3.3
129.06979	6.8
130.07748	19.7
131.08519	10.7
133.06474	9.0
133.10109	22.5
135.08020	34.3
135.11676	20.6
137.05954	4.1
137.09602	7.4
143.08522	11.4
145.06450	4.3
145.10097	93.8
146.10432	5.1
147.08018	19.7
147.11716	6.1
149.09615	10.5
151.07512	51.4
152.81898	2.8
153.09013	6.3
155.08353	3.7
157.10071	10.5
159.07979	3.8
159.11688	10.2
161.09563	9.4
161.13187	5.8
163.07454	4.0
163.11156	71.3
164.11517	2.9
165.09091	24.1
167.08484	3.5
168.09331	3.0
169.10201	3.1
171.11638	7.1
173.09584	5.1
173.13208	5.5
175.11136	6.8
177.09094	6.5
179.07002	4.3
185.13208	5.1
187.11212	6.9
187.14810	4.0
189.09079	4.0
189.12698	11.7
191.14207	4.6
195.11716	3.3
197.13272	5.8
203.14290	12.2
204.12993	3.8
207.13672	7.0
209.15347	7.7
211.11090	3.0
221.15332	31.9
225.12656	6.0
227.71466	2.6
233.15343	5.0
240.22919	3.2
241.15912	3.2
243.13701	3.6
263.16290	12.9
269.15356	5.0
286.19278	6.2
325.21481	10.0
343.19009	4.0
343.22607	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	4.1
55.01854	10.1
55.05505	19.1
55.51613	1.8
57.03411	9.5
57.07053	9.4
59.04969	5.9
65.03944	2.0
67.05183	2.7
67.05497	31.4
69.03407	12.6
69.07042	5.0
71.04984	26.0
76.42600	2.3
79.05478	29.9
81.03423	3.5
81.07044	36.5
82.01399	1.8
83.04944	4.7
83.08607	2.4
83.39098	2.2
85.06528	4.1
91.05460	37.9
93.07030	84.5
95.04955	66.3
95.05510	1.5
95.08589	96.5
97.06520	19.2
103.05421	3.8
105.07014	89.5
105.07726	4.6
107.04940	5.0
107.08574	59.3
108.08902	2.9
109.06499	17.3
109.10126	4.3
115.05433	7.6
117.07000	28.7
119.08568	32.1
121.06490	16.1
121.10107	19.5
123.04492	2.1
123.08029	33.0
125.05939	4.6
128.06187	4.6
129.06956	5.4
130.07742	17.2
131.08517	8.8
133.06442	6.5
133.10121	19.7
135.08029	32.2
135.11673	22.0
137.09570	7.0
142.07777	3.4
143.08517	14.8
145.06422	2.4
145.10098	96.5
147.08022	19.6
147.11635	8.0
149.09570	7.6
151.07521	52.0
153.09027	4.8
155.08476	4.3
156.09308	4.6
157.10152	12.0
159.07990	3.3
159.11658	10.7
161.09581	10.7
161.13173	5.5
163.07559	2.5
163.09769	3.6
163.11157	74.6
165.09099	22.7
169.10141	3.6
171.11667	7.7
173.09608	6.6
173.13235	4.1
175.11224	4.8
177.09093	6.4
179.06992	7.2
179.10500	2.9
181.10110	3.0
181.12115	3.5
183.11591	2.5
185.09592	2.7
185.13249	4.1
187.11119	7.5
188.12097	2.4
189.08957	3.1
189.12717	12.7
191.10686	3.8
191.14326	5.6
193.10039	2.1
195.11639	4.7
197.13255	5.2
199.11047	3.7
200.12024	2.1
203.14291	13.0
207.10028	3.8
207.11867	2.9
207.13805	7.3
207.35800	2.0
209.13292	2.1
209.15273	4.8
215.14294	3.4
217.12273	2.9
221.15320	34.2
225.12889	2.7
225.16409	2.6
227.14252	2.5
229.15945	2.3
233.15352	5.0
241.15848	4.0
243.13878	3.4
245.15469	3.2
263.16418	9.9
269.15338	4.9
286.19174	5.8
287.16550	2.6
287.19736	2.4
307.20605	3.6
313.77875	2.2
325.21490	12.4
343.22626	100.0
344.22961	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	5.2
55.01849	7.5
55.05273	2.1
55.05503	25.1
56.46434	1.6
57.03439	9.1
57.07059	8.1
59.04976	5.8
62.64661	1.5
65.03903	2.6
67.05495	29.4
69.03419	10.8
69.03719	2.0
69.07049	7.2
71.04987	21.3
71.15162	4.4
79.05482	32.6
81.03393	4.6
81.06613	2.6
81.07049	37.0
83.04958	5.8
83.08596	3.7
85.06517	5.7
91.05470	43.4
93.06440	2.5
93.07032	79.6
95.04955	66.6
95.08594	99.5
96.08888	2.3
97.06514	17.5
103.05440	3.3
105.07018	100.0
107.04935	5.4
107.08581	64.6
107.09320	2.6
108.05725	1.9
109.06512	20.0
109.10124	7.4
115.05432	8.4
116.06226	2.8
117.07000	33.2
119.08575	34.7
121.06501	18.8
121.10123	23.0
122.07286	3.2
123.07162	2.2
123.08047	35.2
125.05985	3.4
125.09604	2.1
126.21387	1.6
128.06192	4.0
129.06982	7.4
130.07780	18.2
131.08562	12.6
133.06451	5.5
133.10106	23.2
135.08041	27.4
135.10780	2.0
135.11682	20.0
137.05942	2.6
137.09525	8.6
141.06989	2.1
142.07811	2.7
143.08559	14.0
145.06430	4.2
145.10104	98.5
146.10458	2.9
147.08008	17.7
147.11649	6.1
149.09605	6.3
151.07523	57.1
153.09077	5.4
155.08481	3.2
156.09369	3.4
157.10110	12.6
159.08026	4.9
159.11673	12.9
161.09605	10.0
161.13216	5.6
162.10371	1.9
163.11165	71.6
164.11588	2.7
165.09073	22.3
166.43193	1.7
167.08571	3.2
169.10117	4.5
171.11620	5.5
173.09618	4.9
173.13197	4.0
175.11159	4.8
175.14919	2.3
177.09047	8.3
179.07002	4.6
181.10127	3.3
181.12202	3.6
183.11679	3.4
185.13231	3.6
187.11136	7.5
189.12701	14.9
191.14311	3.9
191.26888	1.8
195.11646	3.1
197.13225	7.0
199.11232	2.6
199.14847	3.2
201.12672	3.4
203.14288	11.1
205.12135	2.1
207.10023	3.9
207.11923	2.3
207.13791	8.6
209.13297	3.1
209.15337	4.6
211.14835	2.4
215.14320	4.0
217.12166	4.0
221.15314	33.7
225.12712	3.3
225.16296	3.3
229.83344	1.9
233.15381	3.6
237.88503	2.0
241.15833	2.5
243.13719	2.4
245.15271	1.9
251.14420	2.7
263.16351	9.3
269.15280	4.3
274.19247	2.2
286.19250	3.5
325.21594	11.1
332.83493	2.1
343.22641	83.1
344.22916	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	3.6
55.01852	5.3
55.05502	16.5
57.03424	11.1
57.07064	6.4
59.04987	5.3
65.03948	2.8
67.05501	27.2
69.03409	10.7
69.07067	7.0
69.56447	23.7
71.04975	23.8
79.05463	24.8
81.03407	4.0
81.07047	29.4
81.85143	2.9
83.04969	3.1
85.06527	5.9
91.05469	35.9
93.07035	73.4
95.04954	69.9
95.08593	100.0
95.09198	5.3
95.56257	2.2
97.06532	18.2
98.20681	3.0
103.05454	3.5
105.07017	89.4
107.04904	4.3
107.08577	63.7
109.06526	20.1
109.10146	5.0
115.05443	8.9
117.07009	34.1
119.08577	30.7
121.06493	17.4
121.10140	18.0
122.07323	3.8
123.08039	32.7
125.05963	3.3
128.06204	3.5
129.06966	8.2
130.07779	18.7
131.08557	10.3
133.06468	5.5
133.10126	16.4
135.08035	29.4
135.11671	21.2
137.09602	7.6
142.07762	3.1
143.08537	13.7
145.10107	97.4
147.08043	14.0
147.11661	5.6
149.09579	5.8
151.07527	58.2
153.09096	3.9
157.10135	8.8
159.08086	3.6
159.11647	7.3
161.09599	11.9
161.13162	4.1
163.11165	72.3
165.09088	22.4
169.10149	3.3
171.11620	5.8
173.09564	5.2
175.11150	8.7
175.14867	2.7
177.09090	7.4
179.07091	4.2
179.08580	4.1
179.10718	3.1
185.09692	3.6
185.13240	4.5
187.11205	4.0
189.12718	14.7
197.13194	4.3
201.12601	3.5
203.14297	8.1
207.10107	3.6
207.13800	7.8
209.13268	3.0
209.15295	2.7
214.90810	2.7
215.14430	3.3
217.12097	2.9
221.15340	29.0
223.14876	6.0
233.15320	3.5
241.16096	3.2
243.13686	3.0
245.15283	4.0
252.01903	2.8
263.16397	9.3
269.15253	5.9
286.19229	5.8
287.20004	3.1
325.21558	16.7
343.22647	99.7
343.26810	5.4
344.23041	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	342.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75087	0.2
58.06590	2.9
63.92846	0.2
70.24265	0.3
70.24538	1.0
71.08618	12.2
72.08143	5.3
80.34732	0.2
84.08127	2.0
89.25281	0.2
89.77901	0.2
99.08078	24.0
112.11218	2.3
116.10699	0.6
123.12387	0.2
124.00620	0.2
128.10695	2.8
129.13850	0.3
145.04939	0.2
146.11743	0.4
155.15424	1.1
156.13812	100.0
157.14194	1.2
170.15375	8.0
170.24100	0.2
173.16534	0.2
187.18048	0.4
227.21190	2.2
244.23784	1.0
324.29977	1.3
325.28458	1.8
342.31094	93.2
343.31418	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	343.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67756	1.1
55.01859	1.3
56.05027	1.6
56.96555	100.0
57.03421	3.5
61.02908	4.3
68.17730	1.2
69.03400	3.1
70.06580	11.6
70.98092	1.3
71.70222	1.9
72.08138	3.7
74.97597	5.7
81.03391	1.2
84.04501	2.4
84.08136	7.6
84.96007	4.1
85.02870	5.9
97.02885	2.9
97.99140	1.8
98.97562	6.5
105.00172	3.9
110.07138	2.8
110.97550	1.5
116.98580	6.5
117.01833	2.1
119.01893	4.4
121.02882	2.7
123.01181	12.6
124.99032	1.5
127.03878	1.8
128.98575	5.1
129.10204	3.3
130.04968	1.3
131.01886	1.4
132.99582	1.5
134.99623	6.4
135.03146	1.4
135.88850	1.4
137.05920	1.5
139.00638	5.9
141.02191	13.4
143.00105	1.4
144.98022	3.1
145.01689	4.1
146.99629	5.7
147.04385	1.4
149.01178	2.1
151.00636	6.7
157.01675	15.4
158.99672	2.1
159.03290	3.4
161.01157	1.8
161.03040	1.7
162.99126	15.2
165.00690	2.9
165.01973	1.8
167.00148	1.4
169.01692	33.7
173.01237	1.6
173.02936	1.6
174.99159	1.3
175.00815	1.5
175.02762	5.1
176.98547	1.5
177.00673	2.2
181.00128	7.5
183.03111	1.4
185.01215	12.7
187.02750	32.3
187.04427	1.8
189.00761	1.7
189.02452	2.5
190.98665	3.0
192.03369	1.9
194.99664	7.5
195.03062	2.1
199.02629	1.5
201.00699	2.8
201.02490	1.4
202.03348	1.4
203.02347	4.4
204.02051	1.2
205.00038	2.9
205.01793	2.4
205.03792	2.9
208.96082	1.8
208.99808	1.3
211.07104	1.3
213.00670	27.4
213.04056	1.3
217.02043	1.4
219.01828	2.2
223.01170	2.3
226.02390	1.4
231.01738	29.3
231.03775	2.2
232.02283	2.2
233.03648	1.5
235.02879	3.7
236.02155	1.6
239.02271	2.1
242.04097	1.5
249.02823	11.1
254.03403	2.3
255.01903	1.7
257.03284	2.3
259.05890	1.5
267.53799	1.8
273.03690	1.7
283.01205	4.3
301.02246	40.9
303.04990	3.1
305.03421	1.6
315.05109	3.5
319.03293	35.6
319.06860	2.3
324.03790	3.4
342.04837	2.0
343.03845	5.8
343.11148	1.9
343.20023	1.7
361.03674	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	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02820	5.2
50.71773	5.5
55.01862	8.4
55.05508	52.9
67.05499	47.0
69.03407	10.9
69.07056	100.0
70.02252	24.6
75.20037	5.3
75.91801	5.4
79.05475	55.6
81.07038	52.4
81.85167	5.1
83.08598	23.8
91.05448	33.1
93.07031	48.6
95.04926	7.9
95.08589	29.1
97.06499	11.7
97.10167	60.0
105.07000	32.7
107.04919	8.2
107.08565	74.8
109.10120	15.2
110.99752	5.4
111.08073	6.2
117.06950	7.2
119.08560	22.5
121.10113	16.8
125.09624	59.4
131.08559	16.3
133.10097	26.0
135.07996	17.1
135.11685	10.7
145.10118	12.5
147.11681	22.4
149.09586	12.7
153.09064	15.3
157.74452	6.1
159.11670	13.5
161.13193	7.0
163.11127	10.1
165.12659	5.9
173.13206	7.9
203.12764	52.2
257.19052	13.3
273.27606	5.9
275.20004	57.5
289.21533	14.2
307.22684	10.4
345.54269	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05626	3.7
57.07060	14.3
58.88197	4.0
67.05480	14.2
69.07048	5.5
71.08604	12.9
79.05475	8.2
80.35986	3.3
81.07041	10.2
83.04935	4.0
85.06506	4.1
91.05442	5.3
93.07024	8.3
95.08583	9.8
99.08083	11.1
105.07020	9.2
107.08563	10.9
109.10113	8.7
121.10100	5.2
133.10101	13.3
135.11656	11.0
151.11148	11.9
156.13824	22.8
174.18465	7.4
256.54025	4.9
265.63220	4.1
275.19894	6.8
283.26395	7.8
293.21045	4.9
338.28088	4.2
342.30917	20.5
342.37225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
53.18577	2.5
55.01851	8.5
55.05502	72.6
55.92444	2.5
65.03896	2.4
67.05494	29.2
69.03415	10.4
69.07055	51.0
79.05476	41.1
81.07032	30.5
83.04960	5.8
83.08603	45.2
91.05464	23.2
93.07026	25.7
95.04964	5.1
95.08579	16.3
97.06522	5.6
97.10154	89.2
99.08031	2.7
103.25396	2.4
105.07014	25.2
107.04910	4.4
107.08576	100.0
107.15891	2.9
109.06490	3.1
109.10133	9.7
117.06996	7.6
119.08543	11.4
121.10107	7.3
123.08062	3.5
123.47953	2.6
124.11156	4.5
125.09606	95.6
131.08575	4.0
133.10106	12.9
133.14496	2.5
135.08043	23.8
135.11673	5.1
143.08475	2.9
145.10115	12.8
147.11665	10.0
148.31096	2.4
149.09628	5.3
153.09109	17.0
156.13834	3.7
157.12234	8.9
159.11694	6.6
161.13271	4.2
163.11102	5.1
171.10245	3.6
171.11629	4.7
173.11696	3.3
173.13200	5.0
181.12221	3.7
203.12743	97.8
220.04816	2.5
226.18031	2.4
239.17877	5.2
257.18988	11.4
275.20026	39.5
289.21530	16.6
307.22708	6.0
324.25180	2.9
342.30844	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	18.3
55.05503	72.0
55.85705	6.9
57.03426	14.4
57.07056	39.1
58.77311	7.5
67.05494	74.0
69.07061	28.0
69.11700	7.3
70.07393	8.5
71.04987	11.7
71.08624	31.0
71.70114	8.9
71.70509	10.6
79.05479	32.9
81.03402	29.2
81.07043	85.1
83.04964	18.2
83.08600	69.2
85.06489	9.1
85.10167	16.3
89.89124	7.7
91.05470	26.8
93.07025	43.9
95.04951	16.9
95.08582	66.0
95.30723	7.1
96.08897	12.1
97.06540	16.4
97.10169	21.4
98.10525	8.5
99.08080	23.4
100.66884	6.9
101.18092	7.8
105.07020	44.5
107.08596	22.0
109.10133	29.6
111.08059	32.3
113.09636	15.3
119.08555	21.4
121.10123	24.7
123.08009	9.0
123.11710	13.7
133.10109	21.9
135.11636	19.4
139.11263	11.6
145.10136	12.8
147.11668	20.6
149.09659	7.2
151.11111	36.9
152.11293	7.7
160.78955	7.2
161.13237	11.7
165.12708	46.6
175.14783	11.6
231.21179	9.5
259.20505	10.7
277.21570	100.0
309.24252	40.1
341.29803	44.2
355.23111	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	342.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.2
57.03423	2.3
57.07068	17.3
59.03887	1.8
60.29857	1.9
69.03421	4.7
69.71938	3.4
69.72343	11.9
70.06578	25.0
72.08108	3.5
81.03389	3.0
83.08592	5.8
85.02887	16.8
86.06047	2.9
86.09694	5.1
89.06018	40.6
97.02859	4.7
98.21411	4.4
99.04488	2.0
99.32322	1.9
101.09646	18.1
107.07046	44.4
121.02864	2.7
127.03870	4.2
137.02370	2.0
142.12244	2.2
156.10135	2.6
156.13826	4.1
162.09111	2.0
163.13263	100.0
172.04330	2.9
187.07603	2.1
202.94154	1.9
256.06982	2.2
283.05994	6.6
297.07507	17.6
325.07043	4.8
342.19977	2.3
342.27414	5.1
343.07980	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	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
55.01862	10.8
55.05503	64.4
56.96547	3.3
57.03423	9.8
57.53288	1.8
59.04977	2.8
59.22092	1.6
65.03928	2.5
67.05191	2.4
67.05498	28.7
69.03418	4.5
69.06686	3.5
69.07056	56.4
70.71957	1.8
70.82863	2.8
70.83221	5.1
79.05480	44.4
81.03408	2.8
81.07041	32.9
83.04952	6.0
83.08604	39.3
85.06523	3.0
90.81979	1.7
91.05459	23.6
93.07030	33.2
95.04944	6.6
95.08588	18.9
97.06506	14.2
97.10152	88.0
99.08057	2.0
105.07013	23.7
107.04932	5.7
107.08575	100.0
108.08900	2.2
109.06488	7.8
109.10123	7.5
109.31957	1.7
111.08084	4.6
117.06277	1.7
117.06984	9.6
119.08559	19.5
121.06490	2.6
121.10123	8.1
123.08059	3.1
123.11639	1.6
124.11241	1.9
125.09613	83.6
129.06975	3.3
130.04584	2.0
131.08531	6.4
133.10092	14.4
135.08035	22.8
135.11656	7.2
143.08530	4.4
145.10110	18.6
147.11641	9.1
149.09607	12.4
149.13210	2.8
151.07538	2.0
151.11176	2.5
153.09081	17.3
155.08598	1.8
156.13783	4.1
157.10104	3.5
157.12224	7.0
159.11687	10.0
161.09576	2.1
161.13194	8.7
163.11148	7.6
165.09132	2.6
167.10620	2.4
169.10065	3.4
169.12259	2.1
171.10199	3.6
171.11632	4.3
173.13225	8.5
175.11142	3.7
177.12828	2.7
181.12169	3.6
183.08572	2.7
183.11652	2.9
185.13208	7.9
187.11166	3.8
187.13214	1.8
203.12738	91.9
204.13153	1.8
215.17961	1.7
219.17377	3.8
219.22940	1.7
229.19466	2.9
235.16850	7.1
239.17906	6.1
257.18948	13.6
275.17133	3.6
275.20010	59.1
289.21533	21.0
307.22617	14.8
342.19501	7.4
342.30829	3.3
342.69815	2.7
343.22565	3.9
361.16733	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	341.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	13.0
55.05241	5.3
55.05498	88.5
57.03413	12.5
67.05492	35.5
69.03407	14.5
69.07059	20.4
70.04377	27.0
74.84121	3.5
79.05479	44.5
81.03400	11.8
81.07045	61.1
83.04940	13.6
83.08592	52.8
84.40765	4.8
85.06499	7.5
91.05436	20.3
93.07031	30.8
95.04946	29.9
95.08585	24.8
97.06499	15.7
97.09582	6.6
97.10157	95.7
98.20772	5.7
99.08059	16.1
105.07005	28.3
106.90331	4.4
107.04951	4.9
107.08569	47.3
108.20567	3.9
109.06473	9.2
109.10091	9.8
111.04369	4.9
111.08091	7.5
115.05348	4.6
117.07002	16.3
119.08517	20.0
121.06474	7.8
121.10098	9.9
122.65406	3.9
123.08060	40.7
125.09603	100.0
129.06992	11.9
130.67168	4.1
131.08540	13.2
133.06444	4.4
133.10146	10.9
135.08009	17.8
135.11687	5.1
137.05942	4.7
137.09560	8.4
139.11113	9.9
141.06970	4.2
143.08557	11.2
145.10030	29.5
147.07974	7.8
147.11632	7.0
153.09077	15.8
155.10573	4.5
157.10077	14.5
157.12239	7.3
159.11699	8.9
163.11093	14.5
165.09030	9.6
165.12720	6.2
169.10126	5.5
171.10216	6.3
171.11559	7.6
173.09607	10.4
175.11130	6.1
181.12157	5.7
187.11076	6.4
189.11203	39.6
189.12697	7.5
193.12219	11.5
203.12753	49.6
209.94118	4.1
273.18436	16.7
291.19540	65.6
305.20981	8.0
309.20569	12.1
323.22205	30.8
338.54010	5.1
341.21072	20.6
341.24640	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	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01868	1.3
55.05497	1.6
57.07056	1.4
67.05494	2.2
69.03419	1.5
69.07059	2.1
70.06585	2.5
70.84353	3.6
70.84720	1.1
72.08138	1.7
79.05475	6.7
81.03377	1.8
81.07030	4.8
84.95245	1.3
86.09693	1.5
91.05462	4.5
93.07021	4.3
94.04173	3.2
95.04941	3.1
95.08595	2.3
96.35331	1.1
97.02860	1.7
99.08015	1.8
103.05470	1.5
105.07024	3.0
105.19399	1.3
107.04963	8.0
107.08566	1.9
109.06483	3.9
117.07069	1.5
121.02910	1.3
121.06525	1.7
121.10178	1.6
122.03636	10.3
123.04418	1.8
124.36631	1.4
128.06181	3.9
129.07014	7.8
131.04895	3.5
133.02834	2.1
133.10074	2.3
135.04364	2.0
137.05962	100.0
138.06264	1.8
144.05637	2.1
145.06494	2.7
147.04366	2.4
149.05972	5.5
151.03912	1.5
151.07542	4.9
153.05545	1.8
156.05719	10.5
156.13799	2.2
157.06427	5.5
159.04359	1.4
159.08026	1.6
161.05966	4.3
163.07524	2.3
165.05440	2.1
167.07019	9.5
168.91702	1.2
171.76520	1.4
172.05147	5.3
174.06784	7.6
175.07484	9.8
178.07753	4.2
179.07002	2.9
179.08441	1.6
187.07538	31.0
188.08087	1.5
189.07257	2.1
189.09094	9.6
190.07767	2.6
191.08545	4.9
193.10205	2.2
195.08084	2.3
199.07529	4.0
202.06163	2.4
202.07774	4.7
203.08548	13.3
205.06473	5.4
206.07210	7.7
207.08005	3.1
208.08818	2.2
211.07561	3.1
217.06534	2.0
217.08554	35.4
218.07176	2.1
219.07990	9.1
220.08713	4.9
221.09628	10.0
223.07497	3.1
227.07028	4.4
231.08029	13.9
232.08640	2.4
233.05902	2.5
233.09569	1.4
234.06763	11.2
235.07430	4.2
236.08096	1.9
237.08934	3.1
238.09851	2.0
239.06937	2.9
240.07654	1.8
247.07571	8.5
248.08292	15.5
249.09090	19.2
251.07027	5.5
251.10622	5.0
255.06456	4.0
259.07629	6.1
260.08035	2.1
263.07330	1.8
263.10657	13.5
264.07813	2.0
265.08508	5.5
266.09396	5.6
270.08887	5.8
271.09558	6.6
276.07779	5.2
277.08524	13.2
278.08997	1.5
279.06824	2.4
279.10132	9.6
280.11075	3.2
281.08484	2.6
281.11633	11.7
283.09442	2.3
291.10107	22.6
292.10858	2.4
293.08118	3.0
294.08771	3.8
295.09561	2.3
296.10367	4.6
297.11148	2.1
305.11578	1.6
308.10352	3.6
309.11182	27.8
310.11816	2.8
311.05276	1.2
311.09366	2.4
311.12732	12.4
313.07037	2.1
313.10638	1.4
323.12726	23.6
324.13437	1.4
326.11441	3.9
341.06335	3.4
341.09885	2.8
341.13763	32.9
341.29895	2.0
359.02853	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	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.06426	1.0
62.63542	1.1
69.07049	1.1
70.75263	3.9
79.05465	2.3
79.82288	1.0
80.26052	1.2
81.07038	2.3
84.30872	1.1
91.05450	5.3
93.00520	1.2
94.04203	2.5
95.04941	1.7
103.05419	1.2
105.14082	1.1
107.04926	2.6
109.06462	2.3
111.04409	1.5
115.05423	3.0
122.03630	8.5
125.05943	2.2
128.06172	3.4
129.06981	12.1
131.04880	3.7
133.02808	2.8
137.05951	100.0
138.06230	1.7
143.04846	1.8
143.08553	1.4
144.05664	6.4
145.06461	2.5
146.07266	2.0
146.09708	1.2
147.04359	2.3
151.03860	2.4
151.07471	3.2
153.05429	2.2
156.05682	2.0
157.06456	8.5
158.07242	2.7
160.05188	2.0
161.05907	2.1
163.07628	2.0
165.05463	1.9
165.06956	1.7
168.05675	1.7
171.08018	2.5
172.05167	7.4
174.06746	20.8
175.07507	11.1
177.05508	3.1
187.07510	49.7
188.08113	2.9
189.07233	2.5
189.09050	21.2
190.07697	3.0
191.06961	1.6
191.08495	5.1
196.05222	1.5
197.05931	1.5
199.07497	5.3
202.07693	5.2
203.08513	15.2
205.06447	3.4
208.08801	3.0
211.07474	10.0
217.08566	34.1
218.07231	2.1
218.09091	1.6
219.08014	14.2
220.08781	6.7
221.09535	1.8
222.06693	1.6
225.08949	2.0
227.06926	2.4
231.08031	13.5
232.08762	4.2
233.05948	2.8
233.09518	2.9
234.06738	2.0
235.07397	4.9
236.08273	3.5
237.09055	2.6
239.06944	6.4
240.07816	3.3
247.07457	9.5
248.08296	18.8
249.08992	4.2
250.06323	2.0
251.10609	6.6
253.08488	3.4
255.06439	2.2
256.07178	2.8
259.07526	5.1
260.08099	2.1
261.09100	4.3
262.06329	1.2
263.06918	2.2
263.10638	14.8
264.07706	5.1
265.08551	6.5
270.08890	2.9
271.09607	16.0
276.07703	9.6
277.08505	6.2
278.05652	1.6
279.10083	17.4
280.10806	3.8
281.08102	3.7
281.11481	1.4
283.09579	4.0
291.10095	34.6
292.10623	4.5
293.08105	6.6
295.09641	2.4
296.10370	10.1
297.11166	2.6
308.10394	3.4
309.11182	3.7
311.12689	18.6
314.30798	1.1
323.12720	36.8
324.12973	2.2
341.13760	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76384	1.3
60.54336	1.4
61.74350	1.3
71.36954	2.9
75.76147	1.3
79.05487	3.4
81.07030	2.2
81.57919	1.4
84.55435	1.2
86.59155	1.4
91.05460	3.4
94.04181	3.8
103.05478	1.9
105.06994	4.1
107.04950	3.0
109.06503	2.9
115.05466	2.7
117.07050	1.6
119.08599	3.2
122.03629	9.3
125.33888	1.3
126.34555	1.3
129.06995	4.0
132.05684	2.6
133.02884	1.3
133.06503	4.0
137.05960	100.0
143.74464	1.4
145.06438	3.1
147.04434	2.9
147.08032	3.9
149.05975	3.3
151.07527	2.1
159.08025	2.5
160.05179	3.3
161.05927	9.4
164.23897	1.4
165.05515	1.5
167.06917	2.3
175.07527	39.7
177.09158	2.7
178.88147	1.7
187.07530	12.2
189.07016	1.4
189.09064	2.8
190.07719	3.1
191.08549	8.3
199.07503	8.8
202.07803	5.6
203.08444	7.3
204.09329	1.7
205.06587	2.0
205.08644	2.1
217.08540	4.0
218.07271	2.1
219.08084	11.2
220.08777	2.6
227.07156	1.7
231.08028	10.0
232.08778	1.8
236.08247	2.3
247.07503	4.8
248.08362	5.8
249.09196	3.5
251.10678	13.0
259.07349	4.3
261.08887	1.7
263.10678	6.3
265.08521	1.8
270.08765	3.3
271.09631	6.1
276.07828	2.8
277.08438	3.9
279.10104	8.8
291.10092	13.2
292.10815	5.8
309.11234	2.9
311.12866	9.0
323.12939	8.4
341.13782	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	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25587	0.7
51.02367	1.0
54.59046	0.6
55.01860	1.5
55.05489	1.2
67.05471	1.3
69.03423	1.2
69.07046	2.1
70.06570	0.9
70.98853	1.6
70.99229	1.6
71.08607	1.1
72.08153	1.1
79.05469	3.0
81.07022	2.2
83.08601	0.8
84.08138	0.7
86.09692	0.9
91.05442	4.6
93.07008	1.6
94.04194	4.1
95.08575	1.0
97.06485	0.8
99.08086	2.5
103.05442	2.9
105.07034	5.5
107.04936	3.2
107.08578	0.9
107.10520	0.6
109.06492	2.7
112.11184	0.8
115.05456	4.5
117.06983	2.0
119.04919	0.9
119.08563	2.2
121.06488	1.5
122.03638	10.0
126.09137	2.2
128.06213	2.7
128.10742	0.8
129.06978	5.3
131.04918	3.5
132.05669	3.6
133.06435	3.5
137.05956	100.0
138.06279	1.2
139.03877	0.9
144.05684	1.3
145.06454	3.1
146.03609	0.9
147.04385	2.2
147.08022	5.0
149.05986	2.1
151.03882	1.0
151.07559	1.7
154.12283	3.6
155.04897	1.1
155.12567	1.7
156.05701	1.0
156.13805	10.0
157.06421	1.3
157.14154	5.0
159.08018	2.7
160.05161	1.5
161.05956	10.0
163.07520	2.8
167.07027	4.3
171.07947	1.1
172.05185	2.2
173.05971	0.7
174.06761	1.3
175.07523	36.1
177.05499	0.8
177.09145	1.5
178.07803	1.4
179.06982	1.1
185.05977	1.0
187.07501	15.1
189.07166	1.3
189.09055	3.5
190.07755	2.8
190.11624	0.7
191.08517	8.3
199.07492	7.8
202.07736	4.5
203.08546	8.0
205.06476	2.1
206.07248	1.4
207.07977	1.1
211.07512	1.0
217.08612	3.8
218.07266	1.8
219.08035	10.6
220.08853	2.8
221.09586	2.5
223.07581	1.1
231.08017	6.7
232.08719	1.7
233.06009	0.7
234.06749	2.6
235.07544	2.0
235.11115	0.7
236.08340	2.1
243.00658	0.7
247.07487	4.5
248.08267	5.5
249.09090	4.1
251.06995	1.0
251.10649	10.4
253.08553	0.9
255.06514	0.7
259.07498	4.2
260.08429	1.7
261.09018	2.1
263.10638	4.4
264.07883	1.5
265.08652	1.6
266.09363	1.9
271.09778	0.9
276.07709	1.8
277.08627	4.0
279.07144	1.3
279.10104	9.5
280.10904	1.7
281.08426	0.9
281.11670	3.3
291.10184	8.0
292.10864	4.2
293.08035	1.4
294.08743	0.9
295.09711	1.2
295.13116	1.1
296.10382	1.5
308.10159	1.1
309.11069	4.9
310.11649	1.1
311.12650	7.6
323.12766	6.7
326.11163	0.9
340.29605	3.2
341.06686	0.9
341.13815	11.3
341.29892	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01843	0.9
55.05496	0.8
55.75459	0.5
55.83592	0.6
61.23316	0.5
65.03914	0.8
65.57818	0.6
69.03411	0.9
70.06796	3.0
72.08155	1.0
79.05479	2.4
81.07025	1.7
84.08119	1.4
86.09689	0.8
91.05448	8.0
93.07015	1.4
94.04164	2.8
95.04931	0.9
95.08577	0.7
100.11241	1.0
103.05451	2.4
104.06286	0.7
105.07021	5.1
107.04917	2.3
109.06535	1.1
115.05450	4.2
117.07003	5.2
119.04931	1.4
119.08563	7.9
121.06405	2.9
121.20444	0.7
122.03627	7.7
128.06194	3.3
129.06972	5.1
131.04922	2.2
132.05696	6.5
133.06467	2.6
133.60141	0.7
137.05959	100.0
138.06322	1.4
141.06947	0.7
144.05701	0.7
145.06464	3.4
146.03566	0.9
147.04366	4.0
147.08028	7.7
149.05963	2.0
151.07558	2.7
155.04854	0.9
157.06493	1.9
159.08075	1.4
160.05199	3.9
161.05972	9.8
162.06728	1.2
163.07481	2.2
163.70937	0.6
171.08055	1.0
174.06725	1.6
175.07526	61.5
176.07863	1.2
177.05499	1.0
177.09030	4.7
179.07019	2.1
185.05994	2.0
187.07513	5.4
189.09070	3.7
190.07800	2.6
191.08511	5.4
199.07520	4.3
202.07758	2.7
203.08545	4.7
205.06514	1.1
206.07140	0.8
207.08028	1.5
217.06746	0.8
217.08545	3.9
218.07219	2.2
219.08051	8.3
220.08789	1.8
221.05864	0.7
221.09540	1.6
231.08015	4.8
232.08736	1.2
234.06677	0.8
235.07568	1.7
236.08270	0.9
237.09056	1.3
240.08064	0.6
247.07497	4.1
248.08208	3.2
249.09053	2.3
251.10672	8.7
259.07465	3.3
260.08270	1.7
261.09222	0.8
263.06909	0.8
263.10663	2.2
264.07748	1.1
265.08609	2.5
268.06802	0.6
270.08987	0.7
276.07874	1.8
277.08615	1.8
279.10184	7.9
280.11041	0.9
281.08649	0.6
281.11588	1.7
291.10144	5.9
292.10928	1.1
293.08099	0.8
296.10236	0.9
297.11249	0.6
308.10416	1.0
309.11130	3.4
310.11694	0.7
311.12766	8.8
313.06870	0.9
320.71344	0.6
323.12787	6.1
326.10962	0.9
341.06470	2.2
341.13770	13.8
342.06122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.284
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03923	1.1
54.17645	1.0
54.19405	0.8
55.05504	17.9
56.05035	1.0
57.07067	4.7
60.04516	34.6
62.53347	0.7
66.27847	0.7
67.05494	11.3
69.03415	0.7
69.07062	22.2
69.41060	2.6
69.41479	6.2
71.04975	0.9
71.08611	2.5
79.05463	3.1
81.07040	16.0
83.08607	16.4
83.11235	0.8
85.10168	1.7
91.05437	4.5
93.07026	4.9
95.08588	15.7
97.06516	2.4
97.10153	9.9
98.21450	1.9
99.04406	0.8
105.06995	3.3
107.08580	3.9
109.10132	8.1
111.08014	0.9
111.11700	2.9
113.09731	0.8
119.08552	4.1
121.10118	2.6
123.11668	2.8
128.14381	2.0
133.10094	4.0
135.11676	1.4
137.09604	3.1
137.13184	1.8
140.10580	0.8
142.15889	12.1
147.11630	2.7
149.13235	1.7
151.11168	1.5
154.12202	5.2
161.13217	2.6
165.12764	1.0
168.17508	1.2
172.13304	4.4
175.14757	1.0
179.18080	0.8
182.19072	1.0
189.16432	1.1
196.16998	0.9
218.12712	1.0
245.22630	2.6
263.23712	6.4
280.26334	12.6
281.24561	1.9
298.27356	15.2
322.27423	4.0
340.28427	100.0
341.28857	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	340.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.1
55.05491	0.7
58.06590	2.6
58.55456	0.3
63.98371	0.3
69.07044	2.2
70.06575	0.6
70.75664	0.6
70.76064	0.8
71.08617	8.9
72.08141	5.8
81.07053	0.6
84.04469	0.5
84.08125	2.6
91.05463	0.4
97.06514	42.7
98.06843	1.5
98.09664	0.7
99.08076	15.0
100.08389	0.4
100.11224	1.0
105.07002	0.6
112.11222	2.7
114.09145	1.0
126.09128	3.6
128.10692	1.8
129.13841	0.5
137.05933	1.8
142.08609	0.4
142.15625	0.3
153.13799	0.6
154.12239	55.5
155.12569	1.8
155.15384	1.4
156.13811	71.6
157.14177	2.7
168.13806	7.9
170.15376	3.7
175.07491	0.5
187.07494	0.7
196.13023	0.3
209.95074	0.4
219.08125	0.4
225.19600	1.5
227.21121	0.9
242.22231	0.8
249.09094	0.5
281.11591	0.6
298.57220	0.4
309.11127	0.9
312.12830	0.5
322.28314	1.8
323.12885	0.4
323.26752	2.7
340.29532	100.0
341.13693	0.8
341.29834	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	340.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.05490	12.2
55.49499	2.1
55.49781	2.3
57.03419	9.5
57.07070	2.7
67.05493	45.4
69.03415	5.8
69.07045	10.2
71.04980	2.9
73.32651	2.2
77.60667	2.2
79.05484	21.0
81.03420	3.7
81.07043	62.6
83.04966	15.4
83.08621	5.0
85.06532	7.5
91.05462	33.0
91.83600	2.2
93.07034	30.3
95.04957	8.3
95.08585	10.2
97.06516	3.6
100.49500	2.2
105.07018	44.7
107.04926	5.6
107.08570	41.4
109.06499	7.0
109.10136	49.3
110.10453	3.4
117.07011	6.7
117.27309	2.2
119.08543	4.4
121.10130	6.9
123.08075	3.5
123.11670	14.6
128.25143	2.4
129.07018	2.6
131.08546	5.7
133.06529	4.8
133.10107	100.0
134.10480	5.5
135.08008	3.0
135.11691	2.7
137.05916	2.8
141.09026	2.8
144.00302	2.3
145.10104	5.3
147.11668	3.8
149.09608	9.0
151.11157	92.0
152.11479	3.0
157.10159	3.8
159.11693	2.8
161.09612	4.7
177.09100	9.9
177.12823	2.2
179.10669	8.3
183.13765	25.4
206.67154	2.2
208.87001	2.4
229.14262	2.6
239.17891	2.4
258.68045	2.3
273.18411	8.4
275.20190	4.2
281.26764	3.5
291.19611	3.4
305.21048	8.5
340.29391	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	339.2889
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03916	1.4
55.01871	0.9
55.05507	35.8
57.03165	1.4
57.03429	22.2
57.07068	13.8
67.05141	1.3
67.05497	26.4
69.07059	48.7
69.44553	8.4
71.04980	1.6
71.08629	9.6
73.06562	1.2
79.05485	11.8
80.08252	0.9
81.07048	26.7
83.04990	1.5
83.08612	30.9
85.06506	1.1
85.10155	2.4
93.07038	14.6
95.04971	1.2
95.08593	27.6
97.06522	6.0
97.10159	17.6
99.30666	0.9
107.08585	10.0
109.10155	9.8
111.08043	4.8
111.11687	3.8
121.10130	16.4
123.11688	3.6
125.09622	2.1
135.11676	12.0
137.13240	1.4
139.11143	2.2
149.13258	4.7
151.14813	1.7
153.12747	1.4
163.14790	2.0
165.16374	1.4
194.67978	0.9
219.55281	1.0
247.24446	1.7
265.25259	4.5
339.28912	100.0
340.29083	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1024
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03924	0.4
55.01861	0.5
57.03419	0.5
57.26173	0.2
57.94527	0.2
61.02913	1.0
62.78600	0.2
69.03422	2.6
70.06569	0.5
70.95252	0.7
71.04985	0.6
73.02895	0.5
75.67477	0.2
81.03413	1.3
85.02895	5.4
86.09684	0.4
87.04495	0.3
91.03959	0.3
91.05452	0.3
91.49559	0.2
97.02885	1.8
99.29340	0.2
100.11245	0.6
104.04974	0.8
109.02856	0.7
121.02859	0.7
122.05983	0.7
127.03865	1.2
131.04913	0.2
132.04442	5.0
132.28535	0.2
137.05948	1.2
143.40858	0.2
145.04951	0.8
163.03838	0.4
178.04970	100.0
179.03629	0.3
179.05341	2.5
187.07503	0.6
217.08583	0.5
249.09151	0.3
279.10272	0.3
291.10172	0.5
309.11182	0.5
312.05579	0.3
322.24835	0.3
323.12698	0.3
340.05194	0.7
340.09875	0.3
340.25952	1.0
341.06223	0.2
341.13998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.00291	0.8
53.03942	1.3
55.01849	1.4
55.05503	43.1
56.05814	1.0
57.03156	1.2
57.03428	21.5
57.07069	18.0
66.91923	0.9
67.05139	1.4
67.05493	29.8
69.07058	57.8
69.93742	5.1
71.04974	1.5
71.08618	9.1
79.05478	12.6
81.07043	32.3
83.04968	1.6
83.08109	1.8
83.08607	36.0
85.06503	1.2
85.10173	4.6
87.54277	0.7
91.05426	2.5
93.07031	15.7
95.08588	31.1
97.06520	6.1
97.10153	21.0
105.07032	0.8
107.08566	11.1
109.10137	13.9
111.08071	4.0
111.11704	5.9
111.60678	0.9
112.00129	1.0
121.10119	17.0
123.11665	2.8
125.09617	2.1
125.13242	1.5
127.11176	0.9
130.45389	0.8
135.11668	14.1
137.13200	1.5
139.11131	3.1
149.13222	5.3
151.14819	1.6
153.12720	1.9
163.14815	2.4
163.22423	0.8
165.16342	1.1
167.14247	0.9
177.16315	1.1
184.83586	0.8
190.65134	0.9
247.24149	4.5
265.25272	4.8
339.28888	100.0
340.29169	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	339.2524
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03925	3.5
54.92279	1.0
55.01847	1.7
55.05496	13.1
57.03424	5.6
57.07051	3.4
65.03918	1.6
67.05494	49.7
68.05801	1.7
69.03403	1.2
69.07048	10.2
70.05252	4.6
71.01334	1.2
71.04973	1.8
75.55811	1.1
77.03920	0.9
79.05481	42.2
80.11569	0.8
81.03396	3.0
81.07041	100.0
82.07369	3.0
82.77209	0.9
83.04950	3.3
83.08588	4.3
85.02874	1.0
85.06518	1.7
91.05471	13.4
93.07029	39.4
95.04942	4.1
95.08595	44.4
97.06492	3.4
97.10124	2.6
98.20818	1.4
99.08067	2.0
105.07008	13.9
107.04921	1.6
107.08572	25.2
109.06499	45.0
109.10136	24.9
110.06829	1.5
111.08051	2.2
117.06991	5.9
119.08559	11.9
121.06445	0.9
121.09241	1.9
121.10120	29.0
122.10421	1.3
123.04374	0.9
123.08015	3.2
123.11691	9.2
125.09584	2.6
131.08537	12.9
132.17911	0.9
133.06439	1.2
133.10098	11.8
135.07986	1.1
135.11662	16.5
137.09569	2.6
137.13203	1.9
139.07541	2.0
139.11143	5.8
141.09081	2.0
145.10098	11.5
147.10548	1.3
147.11661	10.4
149.05977	2.0
149.09610	4.9
149.13239	10.2
151.11140	2.2
153.09099	1.0
159.11671	9.7
161.13237	3.0
163.11124	1.2
163.14749	4.7
165.12674	1.7
167.10645	4.0
173.13222	7.4
175.11154	1.3
177.12700	1.2
185.05533	0.9
187.14819	2.0
201.16359	1.4
217.14317	1.3
219.21078	3.3
229.19473	11.1
237.18413	1.3
247.20538	45.0
248.20828	3.0
261.18570	1.6
265.18091	1.1
265.21542	3.6
271.16833	1.4
283.16901	5.7
289.17923	3.7
303.19547	1.8
303.23163	1.1
321.20740	1.9
321.24152	5.2
322.27527	1.3
339.21835	1.4
339.25275	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	339.2524
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
52.18705	4.4
55.01857	9.2
55.05505	56.7
56.05831	12.9
56.99847	4.2
57.03420	17.9
57.07061	13.8
58.03761	4.7
67.05499	81.0
68.05825	22.4
69.03435	7.2
69.07063	65.7
70.07374	14.0
70.30979	24.3
71.04978	9.7
71.08627	27.2
73.06551	7.9
79.05486	44.1
80.05820	6.0
81.06607	7.3
81.07044	92.6
82.07376	25.4
83.04958	6.2
83.07702	6.6
83.08601	31.4
84.08935	7.6
85.06531	4.9
91.05465	17.9
93.07044	40.4
94.07394	8.1
95.04945	14.8
95.08591	71.6
96.08945	22.6
97.06516	13.7
97.10151	12.9
99.08092	30.6
105.07008	25.7
107.08562	30.0
109.06489	36.6
109.10168	27.4
110.10444	9.5
111.11694	4.9
117.07004	4.8
119.08553	19.5
121.06530	14.0
121.10107	21.4
122.10461	6.1
123.08061	5.5
123.11683	13.6
131.08559	9.1
133.10109	16.5
135.08032	11.4
135.11612	5.3
137.13197	6.0
139.11127	7.8
142.13234	4.3
145.10081	7.9
147.11635	13.8
148.45654	4.6
157.10193	6.0
158.36330	5.3
159.11633	12.3
161.13159	5.9
162.13513	5.3
163.11134	14.6
163.14847	8.0
165.12730	72.1
173.13252	6.9
177.12709	15.3
179.14371	4.9
181.15839	18.9
187.14752	5.9
191.14211	6.0
206.11464	4.4
261.22137	32.4
275.20026	7.4
279.23187	13.9
289.21606	92.4
290.21759	7.9
307.22614	35.5
321.24161	85.7
328.83771	4.8
338.18512	5.3
339.28146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55592	2.0
54.72794	1.8
55.01862	12.4
55.05499	26.1
55.20904	1.9
57.03410	7.2
57.07054	4.9
59.04979	3.8
67.05495	58.3
69.03407	2.1
69.07058	33.6
69.69203	17.6
71.04982	28.0
71.08627	2.5
79.05482	37.9
81.03403	6.2
81.07044	100.0
82.02882	1.8
82.07353	2.2
82.78930	1.8
83.04961	6.2
83.08162	2.4
83.08611	21.1
83.57445	1.9
83.77161	1.9
85.06511	6.5
91.05472	25.5
93.07035	32.3
95.04950	15.0
95.08595	42.0
97.06515	16.3
97.10114	5.1
99.08089	4.9
105.07024	28.7
107.04932	7.9
107.08566	23.4
109.06517	23.7
109.10159	21.9
111.04417	2.9
111.08057	8.6
113.09618	5.8
115.05436	1.9
117.07002	8.1
117.69659	1.9
119.08548	24.3
121.06528	4.5
121.10128	17.5
123.08060	18.1
123.11696	10.9
125.05914	2.1
125.09575	2.3
127.07520	2.5
129.07031	3.5
131.08568	14.2
133.10101	17.5
135.08046	4.9
135.11684	12.0
137.09586	5.2
139.11157	4.1
141.09093	2.7
145.10057	13.0
147.08029	2.6
147.11676	17.4
149.09575	12.4
149.13272	9.5
151.11163	5.6
157.10072	4.6
159.11690	10.0
161.13225	3.4
163.11160	10.6
163.14761	3.0
165.12730	8.6
169.10161	3.2
171.11638	4.0
173.09566	2.8
173.13264	5.9
175.11124	3.5
177.12737	4.9
181.12161	2.7
183.11736	2.0
187.11162	2.7
193.12231	4.6
201.12833	2.9
202.69217	1.9
215.14233	2.3
222.59784	2.3
229.19536	4.6
239.18048	4.3
247.20520	5.8
257.18954	8.9
265.25342	2.8
269.17343	2.5
275.20044	48.3
276.20483	3.9
279.23297	2.3
289.21704	3.9
306.94751	2.0
307.22623	30.2
321.24225	2.6
339.25381	4.5
339.28888	13.5
340.28732	3.1
341.38156	2.3
343.37668	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	339.2162
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
52.85081	2.6
53.03934	23.7
55.01858	11.0
55.05503	48.1
57.03418	23.4
57.07058	3.4
59.04992	2.9
65.03927	3.8
67.05492	78.0
69.03409	6.3
69.07057	12.6
71.04979	35.1
79.05480	67.8
80.05795	2.9
80.12398	3.0
81.03400	45.0
81.07040	93.4
83.04964	93.6
83.08594	12.4
85.06515	9.0
89.60847	2.6
91.05461	61.9
93.07027	65.1
95.04950	31.3
95.08588	46.8
97.06528	19.2
97.10154	5.2
98.20638	5.6
99.04440	6.4
99.08075	4.2
100.13474	2.7
101.06014	3.9
103.05453	4.1
105.03333	3.1
105.07007	40.4
107.04927	37.7
107.08568	31.5
109.02909	2.5
109.06507	28.0
109.10121	11.5
111.04427	11.6
111.08051	9.4
113.06018	3.7
115.05402	4.7
117.06995	25.6
119.04923	5.3
119.08562	29.5
121.06458	14.6
121.10112	14.9
121.68127	2.7
123.04408	8.8
123.08045	16.5
123.11710	3.3
125.05986	14.4
125.09639	3.0
128.06171	3.4
129.07004	16.8
131.08551	29.0
133.06493	10.7
133.10094	23.2
135.08029	11.6
135.11674	15.6
137.05988	4.0
137.09508	5.6
139.07533	6.6
141.06935	6.9
143.08548	8.4
145.06497	13.2
145.10072	18.3
146.07144	3.0
147.08018	12.3
147.11629	15.8
149.05922	4.3
149.09541	12.3
149.13197	10.8
151.07533	9.5
151.11172	5.3
155.08577	7.5
157.10109	9.2
158.64134	3.0
159.08020	15.0
159.11682	19.6
161.09595	14.4
161.13252	8.9
163.07553	11.3
163.11115	19.5
165.09138	4.1
168.25850	2.8
169.10120	5.1
171.11671	19.2
173.09589	7.9
173.13220	10.2
175.11148	9.1
177.09113	7.4
177.12683	25.2
179.14291	4.1
183.10156	6.1
183.11694	5.0
185.13290	5.7
187.11185	9.8
187.14905	3.8
189.12761	10.6
191.14272	5.1
199.11235	5.5
201.12779	3.9
205.15784	6.2
207.13722	6.4
215.14313	6.2
217.12213	5.7
219.13756	7.6
223.56805	2.9
225.16484	4.5
231.13890	3.8
233.15256	27.1
235.13094	4.9
237.14851	7.9
243.17419	7.7
253.15834	6.7
261.18436	20.6
271.16843	20.5
289.17923	100.0
290.18167	4.0
303.19537	11.0
321.20517	27.5
339.21686	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	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01869	10.5
55.05502	16.2
57.03428	11.7
57.07056	2.8
65.03905	1.8
67.05142	2.7
67.05493	47.3
67.87927	1.5
68.99782	1.5
69.03408	6.9
69.06728	2.2
69.07059	20.3
70.55886	4.9
71.04971	5.5
78.00612	1.4
78.04729	1.2
79.05483	27.2
81.03384	4.6
81.07042	37.4
83.04970	9.6
83.08599	2.8
85.06533	10.9
89.36478	1.5
91.05462	34.8
93.07025	28.5
95.04954	22.5
95.08597	14.9
97.06515	100.0
99.08074	2.6
105.07021	29.4
107.04940	6.5
107.08572	25.6
109.02840	1.6
109.06493	15.9
109.10135	32.5
111.04411	5.1
111.08067	14.1
113.05986	12.9
115.07541	3.0
117.06997	6.0
119.08559	6.6
121.06485	5.2
121.10114	6.4
123.04375	3.0
123.08045	3.2
123.11669	6.5
127.45989	1.7
129.07021	2.4
131.04849	1.7
131.08545	12.8
133.06509	10.0
133.09181	3.0
133.10112	45.6
135.08038	7.9
135.11649	4.1
137.05931	5.0
137.09601	2.2
137.13280	1.7
143.08511	2.4
145.10086	4.2
147.11682	5.5
149.09564	8.3
149.13132	2.7
151.11151	27.0
157.10127	2.2
159.08022	5.0
159.11609	2.0
161.09601	3.5
165.12637	1.8
171.11711	3.0
173.09595	4.8
173.13295	2.1
175.11107	3.3
177.09103	10.0
177.12753	2.4
179.10655	3.8
183.13725	4.5
191.10631	2.4
193.12239	4.9
203.10512	1.8
211.13104	1.8
215.14374	3.7
217.12106	1.9
219.13728	1.8
221.11723	9.2
229.14363	2.0
233.15121	1.5
234.36295	1.7
237.14738	4.0
247.13300	2.5
261.18448	6.3
271.16937	6.9
289.17960	32.2
303.19498	2.6
307.19083	11.8
321.20679	10.2
339.21515	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	339.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01860	6.8
55.05502	21.1
57.03424	8.5
62.65696	1.2
65.03931	1.9
67.05493	32.2
69.03419	3.4
69.07060	9.4
69.53503	1.3
69.53831	11.5
71.01292	1.4
71.04977	12.6
73.02891	1.7
79.05477	52.3
81.03401	14.3
81.07042	100.0
82.07392	1.3
83.04964	19.0
83.08604	6.3
85.06527	3.8
91.05467	24.8
93.06429	1.9
93.07027	38.1
95.04961	13.3
95.08588	22.7
97.06508	5.3
97.10141	2.5
98.21366	2.7
99.04457	1.4
101.06011	2.1
105.04487	1.3
105.07011	19.7
107.04933	11.0
107.08588	14.9
109.05740	2.4
109.06496	46.6
109.10125	6.8
111.04440	1.6
111.08044	6.9
115.05401	1.3
117.06989	9.2
119.08559	13.0
121.06487	7.3
121.10120	20.2
123.08058	10.8
123.11656	1.7
125.05985	1.8
125.09624	3.8
128.06218	1.4
129.06993	5.1
131.08524	15.7
133.06473	3.8
133.10110	13.9
135.04434	1.5
135.08061	6.6
135.11658	6.2
137.06001	1.5
137.09607	3.3
139.11154	4.4
141.06964	1.8
141.09050	1.7
143.08539	4.4
145.06474	4.9
145.10103	4.9
147.08035	4.8
147.11644	5.7
149.05951	2.5
149.09592	9.1
149.13177	2.2
151.07536	2.7
151.11192	3.0
155.08507	2.4
157.10098	3.9
159.08034	7.2
159.11638	7.2
161.09622	8.5
161.13226	2.9
163.07571	2.0
163.11166	3.5
167.10675	3.8
168.80951	1.2
169.10110	3.2
171.11639	4.2
173.09605	3.6
173.11734	2.0
173.13141	2.5
175.11217	2.9
177.09106	1.9
177.12735	3.4
179.10678	2.0
183.10167	2.2
183.11710	2.1
185.09720	1.2
187.11194	3.4
189.12743	3.5
197.11632	1.5
197.13316	1.4
201.12657	2.2
205.12213	1.2
207.13760	4.0
215.14307	2.3
217.12228	2.1
217.14342	1.5
219.13664	1.4
221.15349	1.5
225.16423	2.0
233.15437	3.4
237.14818	2.8
243.17542	3.2
253.15892	1.9
261.18457	7.2
263.16464	2.5
271.16812	13.9
281.77487	1.2
289.17935	32.9
290.18387	1.7
303.19513	15.9
314.19864	1.3
321.20605	8.5
339.21500	13.6
339.25070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	21.4
55.01856	8.4
55.05499	28.5
57.03425	19.5
67.05492	53.7
69.03419	10.3
69.07063	27.5
69.41438	50.3
71.08612	7.1
79.05484	50.2
81.03407	45.8
81.06604	8.2
81.07047	100.0
83.04969	56.2
83.08600	12.7
85.06550	8.7
91.05463	43.7
91.57273	4.7
93.07027	55.3
95.04967	21.6
95.08585	51.2
97.06516	12.3
99.08100	7.6
105.07006	28.5
107.04925	48.2
107.08560	32.7
109.02869	6.7
109.06506	30.8
109.10160	10.9
111.04429	43.5
111.08044	11.7
113.05994	6.2
117.06999	17.2
119.04948	10.5
119.08561	19.2
121.06509	8.4
121.10139	15.2
121.82627	4.8
123.04429	11.0
123.08031	27.7
125.06011	4.9
125.09579	4.6
129.06955	5.7
131.08560	25.1
133.06500	7.6
133.10118	18.3
135.08121	21.5
135.11676	37.2
137.09579	5.8
141.06995	8.0
143.08594	5.4
145.06483	16.8
145.10117	11.1
147.11684	9.4
149.05968	7.2
149.09579	6.8
149.13216	18.9
151.07579	5.9
155.08530	6.2
157.10196	7.4
159.08093	6.7
159.11662	39.2
161.09607	4.7
161.13142	4.8
163.11154	10.3
169.10188	9.6
177.12712	42.1
179.14333	7.8
187.11131	29.2
195.13750	6.6
205.12181	12.7
205.15933	6.1
209.15366	17.3
210.96547	4.6
233.15356	20.7
241.14417	8.5
255.15901	7.5
261.18497	14.0
265.17902	9.9
265.24985	6.0
271.16910	13.6
275.23740	8.1
289.17938	70.9
303.19632	7.7
303.23163	13.3
321.20508	31.0
321.24243	51.6
339.27014	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	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01862	13.5
55.05501	61.4
57.03426	26.6
57.07055	3.2
59.04995	3.8
59.13877	2.0
62.06081	11.3
63.12714	2.3
65.03925	3.2
67.05495	68.0
69.03414	7.2
69.07052	20.2
71.04975	6.0
71.08620	4.1
71.71465	3.8
79.05482	61.2
81.03403	13.3
81.07044	44.7
83.04968	9.5
83.08601	28.8
84.74548	2.6
85.06542	5.6
91.05464	32.4
93.07025	40.7
93.07581	3.2
95.01321	10.9
95.04952	33.4
95.08591	26.3
97.06523	16.5
97.10150	51.8
99.08058	4.8
105.07014	20.2
107.04935	20.3
107.08587	40.1
108.08933	2.7
109.06499	21.3
109.10137	24.1
111.04451	5.5
111.08039	6.3
113.06025	4.0
115.05410	3.0
115.07500	2.5
115.60748	2.6
117.07004	14.1
119.08541	21.1
121.06497	27.5
121.10130	11.7
123.04412	5.6
123.08056	9.6
125.06075	2.9
125.09613	51.5
129.06984	5.3
131.08533	13.9
133.06493	4.0
133.10150	8.4
135.04410	3.7
135.08049	31.4
135.11679	8.6
137.09593	16.4
143.08488	3.6
145.06467	3.5
145.10089	9.8
147.08003	11.4
147.11664	13.6
149.09627	4.6
149.13242	6.5
153.09114	7.2
155.08575	3.3
157.10156	4.4
157.12239	5.4
159.08032	100.0
159.11693	6.8
160.08469	2.8
161.09647	7.6
162.10048	2.1
163.07527	8.1
163.11186	4.8
169.10089	2.7
173.09598	4.8
173.13274	4.2
175.11189	4.1
176.05937	2.8
177.09209	2.7
179.08322	2.3
183.11627	3.1
185.09631	13.6
187.11237	3.0
187.14766	5.2
193.12300	4.1
197.09639	3.5
199.11145	4.1
203.12737	31.1
209.39107	2.4
211.11209	6.1
215.14319	6.8
229.19568	6.4
233.15294	5.8
243.17474	6.4
247.20493	11.7
251.16396	15.6
253.15843	26.3
261.18375	3.7
271.16858	30.4
289.17953	87.1
289.21164	4.5
290.18271	4.0
307.18964	11.4
321.20599	46.3
321.26080	10.5
339.21555	29.3
339.27579	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	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03931	1.4
54.58496	0.8
55.01855	3.1
55.05503	10.8
58.06582	1.3
61.02889	1.0
65.03930	2.0
67.05484	5.0
67.66553	1.0
69.03403	3.6
69.07062	4.9
70.06569	2.5
70.83513	2.6
71.04981	1.2
71.08617	4.5
72.81369	0.9
73.02909	1.2
79.05468	4.8
81.03410	7.7
81.07058	8.2
83.04971	1.5
84.04507	1.5
84.08118	1.8
84.55790	0.9
85.02901	5.4
89.03904	2.2
91.05460	5.1
93.07024	4.4
95.04948	1.9
95.08593	7.8
97.02849	2.3
97.06503	2.1
97.10158	19.2
99.08065	5.7
100.63524	0.9
105.03395	1.4
105.07001	3.3
107.04925	6.8
107.08564	3.9
109.02874	2.2
109.06498	1.4
109.10121	3.9
110.03630	2.5
111.04436	2.5
111.08018	1.0
115.05428	1.5
117.03354	5.4
117.06998	1.0
119.08558	2.2
121.02866	1.3
121.10137	2.7
123.08018	1.0
123.11703	1.7
125.05981	5.0
125.09593	2.7
127.03855	1.5
128.06210	1.7
129.06967	2.6
131.04900	2.1
131.08522	1.9
133.06468	1.0
133.10112	2.5
135.04404	2.1
135.11688	1.1
137.05980	6.3
137.09569	1.4
138.12755	1.9
143.04973	1.3
143.10617	6.3
144.05745	1.8
145.02826	16.8
145.06467	3.8
145.10071	2.1
149.05962	4.6
149.13216	1.5
152.06181	1.4
153.05475	4.7
154.12253	2.1
156.13812	41.0
159.08038	8.3
159.11630	1.5
165.06963	5.1
167.07054	2.1
167.08479	1.2
171.04413	2.6
172.05199	1.4
174.06757	1.1
175.07449	1.5
176.06212	1.3
177.03192	1.1
177.05470	27.5
177.06915	1.5
178.05881	1.5
178.07745	3.6
179.08542	3.2
181.06569	2.2
182.07199	1.3
185.06013	6.7
186.06769	4.7
187.07530	1.2
189.06960	7.9
189.11095	1.3
190.07724	10.1
191.08524	11.2
192.09177	1.1
193.06497	4.7
194.07201	1.3
195.06349	1.3
195.08008	1.9
197.09683	1.5
199.03912	1.4
202.07765	3.7
203.08562	3.5
204.05751	1.2
205.06479	6.8
206.07237	4.2
207.08070	11.2
208.08809	8.9
209.06000	1.8
209.09464	1.2
210.06789	2.0
211.07692	1.4
214.06232	10.4
217.06543	2.4
218.07225	17.3
219.08015	28.6
220.05180	1.3
220.08755	12.8
221.05937	16.1
221.09517	4.9
222.06546	1.6
223.07735	2.1
223.11076	2.1
225.09088	2.9
229.06383	1.7
229.08563	19.7
231.08020	1.6
232.08649	1.2
233.06007	4.8
233.09570	4.2
234.06796	5.1
235.07510	23.8
236.08270	22.3
237.05461	1.3
237.09055	6.2
238.06273	2.0
239.07085	1.6
239.10721	1.3
245.06049	1.7
246.06657	5.9
247.07498	17.4
248.08267	6.1
249.05528	8.6
249.09113	6.5
250.06239	5.8
250.09819	3.7
251.06895	2.2
251.10638	38.6
252.11020	1.7
253.08635	7.3
253.10878	1.0
255.06567	1.1
261.09064	3.8
262.06287	1.5
263.06995	16.7
264.07779	41.7
265.08521	15.6
266.05710	2.7
266.08920	1.9
275.06927	8.1
276.07843	1.5
277.05966	1.0
277.08542	6.4
278.06155	2.0
278.09360	10.3
279.06870	1.8
279.10104	28.7
280.07971	1.0
280.10568	4.8
281.08047	16.1
282.08578	1.3
283.13120	1.2
289.08578	2.1
291.06589	2.6
292.07245	6.9
293.08054	11.8
293.25864	2.1
294.08670	2.4
295.09698	1.8
296.10318	5.4
303.22864	2.2
306.08813	3.9
307.09589	67.2
308.10251	15.7
309.07602	1.8
309.10925	2.0
311.05350	3.8
311.12717	76.1
312.12943	4.5
321.10300	2.3
321.24139	6.0
323.09088	1.4
324.09827	9.3
339.05020	5.7
339.12231	100.0
339.26114	2.9
340.12616	9.7
340.29471	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	339.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01863	0.6
55.05505	0.4
57.03399	0.6
65.03928	3.5
67.05482	1.0
68.99773	0.5
69.03417	6.3
69.07053	0.5
71.01338	0.3
71.04994	0.2
71.70079	0.3
77.71172	0.2
79.05482	0.6
81.03403	1.0
81.07028	1.1
83.04950	0.3
83.08596	0.3
85.02891	21.1
87.00801	1.8
87.04433	1.2
89.03897	0.3
91.05470	0.9
93.07027	0.5
95.04958	2.5
95.08578	0.8
97.02876	29.0
97.10136	0.3
98.03170	0.3
104.85607	0.2
105.07001	0.6
107.04882	0.3
107.08576	0.7
109.02850	0.7
109.10165	0.3
111.00797	0.6
111.04418	3.5
115.03920	0.9
115.05447	0.3
117.03352	1.1
119.08541	0.4
121.02844	100.0
121.10126	0.5
122.03174	1.5
130.76097	0.2
133.10115	0.4
135.04437	0.4
137.05948	1.0
139.03877	3.9
145.02838	2.4
149.05975	0.8
159.11705	0.4
161.05927	0.3
171.02853	0.7
171.07941	0.3
177.05446	5.3
183.02872	5.5
189.06944	0.3
195.02916	0.4
201.03883	2.1
217.04927	1.4
218.07257	0.4
219.08083	0.7
221.05998	0.5
233.06001	0.3
234.06624	0.3
235.05727	0.5
236.08307	0.3
247.07584	0.5
251.10735	0.4
264.07788	0.9
265.08649	0.4
275.07013	0.3
278.09195	0.3
279.10092	0.4
281.08057	0.3
285.03760	0.3
295.08118	0.5
307.09613	1.2
311.05618	0.6
311.12637	1.4
321.05881	0.5
321.09769	0.4
324.09970	0.4
339.07053	13.7
339.12173	3.5
339.18481	0.4
340.07523	0.8
352.15268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	13.1
60.55955	3.8
62.63693	3.8
64.20399	4.0
64.51944	3.2
65.78062	3.5
65.93481	2.9
68.23116	3.8
69.03472	3.3
71.69370	5.1
71.69748	5.0
74.73692	3.6
80.27969	4.3
98.97571	15.4
116.98588	10.0
119.01870	6.0
134.99684	6.9
137.45180	3.8
140.97937	5.9
156.97464	8.1
161.02983	4.5
166.69296	3.8
170.99019	78.0
174.98558	7.0
177.00940	91.9
178.01056	13.8
189.00075	100.0
194.99054	7.0
197.00603	32.5
198.98506	16.3
209.00565	24.0
212.02530	7.3
213.00082	91.7
215.01648	36.9
216.99771	9.6
217.04071	54.4
218.04153	7.3
219.01968	57.7
220.02019	6.3
227.01591	50.6
228.01917	6.6
230.00371	4.6
230.03593	3.7
231.01126	24.1
236.99962	19.3
239.01570	6.0
240.05807	4.5
240.99562	5.8
243.01927	12.3
245.03589	87.8
246.00928	4.2
246.03636	13.7
247.01508	8.1
251.00623	5.7
255.01135	83.6
256.01398	7.3
257.00906	5.8
258.00229	6.4
258.50406	5.6
261.00238	4.7
261.02884	18.7
265.00745	5.4
271.01514	45.2
272.01736	7.7
273.02197	13.8
274.02505	11.9
277.01041	4.9
285.49539	5.2
289.02560	34.7
290.02567	5.9
292.03583	5.1
296.31888	4.6
296.99359	6.4
297.02161	26.6
303.00296	5.5
314.00558	5.7
315.00159	42.7
315.03439	38.1
316.03571	10.2
323.98633	6.2
333.01190	75.0
333.04462	18.9
334.01642	12.2
334.04962	5.2
335.99292	4.5
338.04846	7.1
343.99924	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	337.2728
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03930	2.3
55.01846	1.8
55.05240	2.0
55.05502	37.1
57.03163	1.4
57.03428	22.2
57.07059	5.9
65.03919	2.3
67.05490	77.1
68.05805	1.0
69.07055	43.5
69.35905	11.4
69.36263	1.6
71.04976	2.0
71.08615	2.4
79.05476	21.3
81.07040	74.4
82.07375	1.8
83.04960	2.7
83.08602	22.1
85.06512	2.8
91.05463	12.3
93.07024	19.2
95.08588	57.7
95.97517	0.9
97.06506	5.0
97.10143	10.5
99.08073	2.1
101.59555	0.8
105.07002	10.5
107.08565	10.4
109.10136	24.8
111.08047	3.1
111.11701	2.7
113.09609	1.0
119.08561	8.3
121.10124	12.2
123.11697	11.0
125.09628	1.8
133.10075	7.7
135.11624	5.0
137.09619	2.5
137.13188	4.3
147.11662	6.8
149.13232	3.1
151.14774	1.6
161.13242	3.7
163.14809	3.6
165.16341	1.3
175.14761	4.0
177.16370	1.2
180.96779	0.9
182.99103	0.9
225.20360	0.9
245.22569	2.7
263.23627	6.2
278.58289	1.1
337.27298	100.0
338.27750	5.7
353.33417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03909	1.3
55.01844	1.8
55.05500	37.9
57.03159	1.7
57.03424	22.3
57.07071	6.4
65.03924	1.8
66.11156	0.8
66.64268	1.0
67.05492	82.7
67.38671	0.9
69.07053	45.5
70.65190	0.8
71.04966	1.4
71.08628	2.3
79.05477	21.2
81.07041	77.1
82.07409	0.8
83.04945	2.1
83.08601	25.2
85.06504	2.1
85.10175	1.1
91.05468	14.2
93.07027	20.7
95.08588	63.9
96.08940	1.2
97.06516	5.0
97.10157	12.7
99.08073	1.8
105.07014	9.9
107.08575	11.3
109.10136	21.4
111.08049	4.2
111.11703	2.9
119.08565	6.7
121.10123	9.1
123.08012	0.9
123.11671	8.0
125.09606	1.0
128.03827	0.9
133.10143	7.4
135.11639	4.1
137.09625	1.7
137.13217	4.5
147.11646	4.3
149.13232	2.9
151.14793	1.4
161.13200	3.8
163.14795	2.6
165.16295	0.9
167.14319	1.4
175.14787	2.9
189.16386	1.0
229.50772	0.9
239.48242	1.1
245.22629	3.7
263.23630	6.1
337.27304	100.0
338.23758	1.1
338.27609	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	337.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30499	1.1
53.03928	3.9
55.01868	1.9
55.05505	37.5
57.03428	20.8
57.07066	7.9
65.03915	4.2
67.05494	98.9
69.06692	2.4
69.07058	48.9
69.38065	14.2
71.04964	2.7
71.08623	19.6
74.54600	1.2
79.05481	37.6
79.79766	1.4
81.03397	4.3
81.07043	93.4
82.07394	1.9
83.04980	7.8
83.08604	22.8
85.06525	2.1
85.10150	1.6
88.43214	1.2
91.05470	19.6
93.07029	49.2
94.07367	2.2
95.04943	5.3
95.08592	81.2
97.06507	7.5
97.10157	12.6
99.08075	13.6
105.07024	13.9
107.08581	28.2
109.10133	30.1
111.08057	4.7
111.11748	1.4
113.09583	1.2
117.07005	1.3
119.08584	9.9
121.10126	27.6
122.10433	1.9
123.08064	1.9
123.11681	13.0
125.09621	2.7
131.08543	3.0
133.10133	13.0
135.11665	19.4
137.09593	1.6
137.13208	4.4
139.11113	1.7
141.09131	2.3
145.10072	1.7
147.11656	11.8
149.13252	10.7
151.11177	2.9
151.14723	2.2
153.12755	1.7
161.13234	5.1
163.14792	3.8
167.14307	1.3
171.11606	1.5
175.14841	3.1
189.16399	3.5
194.19820	1.2
207.17418	100.0
208.17776	3.5
245.22664	2.6
263.23618	6.0
298.26447	1.5
305.24612	15.1
337.27332	82.1
338.27600	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0912
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03933	0.8
54.82389	0.4
55.01826	0.4
63.02327	0.5
67.05476	0.6
69.07043	0.4
70.06574	1.3
70.81147	0.3
71.37933	0.3
71.50224	0.8
72.08113	0.6
73.38557	0.4
79.05476	1.3
89.03895	7.9
91.05494	0.5
93.03351	0.4
93.06996	0.4
93.29966	0.4
95.04949	5.0
107.04916	3.0
111.04410	0.7
117.03354	10.2
120.08104	0.8
121.02835	1.1
131.04910	0.6
135.04390	22.4
139.03857	1.0
145.02812	13.5
163.03877	100.0
164.04221	2.1
164.64667	0.4
170.89355	0.4
181.04945	1.4
235.80884	0.4
337.06970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88388	5.3
55.05494	27.7
57.03421	22.2
57.07078	11.7
67.05505	71.8
69.07057	55.6
71.04965	19.9
71.63155	14.1
73.50187	5.8
79.05480	26.3
81.07046	100.0
83.08614	35.0
91.05452	23.7
93.07030	34.3
95.04931	17.8
95.08587	93.5
97.10152	20.8
105.07021	54.9
107.08571	48.9
109.06477	13.4
109.10130	36.3
112.99995	63.6
119.08557	52.4
121.10136	66.0
123.08035	6.6
123.11695	61.4
129.06941	7.6
131.08525	21.5
133.10104	30.4
135.08009	17.5
135.11667	15.6
137.13313	7.0
142.07701	9.4
143.08557	20.3
145.10106	46.6
147.11633	10.9
149.13211	9.9
155.08496	10.2
156.09348	10.7
157.10101	34.0
159.08017	6.5
159.11679	14.7
161.09578	27.1
161.13196	12.8
169.10094	21.3
171.11653	25.1
173.13272	12.5
175.14810	12.1
178.74051	5.7
183.11684	18.1
185.13225	7.0
187.14851	9.0
195.11607	13.7
197.11621	6.1
197.13206	37.9
199.14789	9.5
201.05962	7.1
201.16426	7.8
209.13084	12.7
211.14815	15.6
215.14316	15.0
223.14708	14.1
237.16457	6.8
239.17879	6.6
253.19449	12.8
279.21036	13.8
319.24106	7.3
337.24789	33.4
337.27420	62.7
355.49869	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	337.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	14.4
67.53973	1.4
70.40582	7.1
70.98102	2.2
85.01373	2.6
85.02879	2.4
88.99151	2.3
94.99829	2.3
97.02856	1.6
98.21007	2.8
98.97555	8.7
101.00859	16.9
103.02419	10.6
104.99062	1.4
110.97546	3.5
113.00857	6.7
116.98590	6.5
119.01073	2.4
119.01901	30.7
121.03453	6.6
127.02407	12.6
128.98582	5.5
131.01888	41.8
133.03435	14.0
134.99643	2.8
137.02985	2.8
139.02362	3.2
143.01866	6.7
145.03439	73.3
146.03571	4.3
146.99622	5.8
147.01382	4.5
149.01129	1.9
149.02922	8.5
151.04395	2.8
155.01874	24.7
157.03450	35.6
159.05020	3.3
161.02925	7.3
163.02782	1.5
163.04483	9.9
165.00597	5.0
167.01872	4.0
168.05054	3.0
171.01366	10.1
171.04990	2.6
173.02942	52.2
174.03059	4.1
174.99069	8.0
175.04515	18.2
183.01381	6.6
184.97548	1.7
185.02939	12.3
187.04546	3.5
188.97021	4.5
189.00668	4.3
189.02423	16.1
190.98720	1.6
191.03963	3.3
193.00201	11.9
196.04549	2.2
199.00851	6.8
199.04443	2.4
201.02443	7.6
201.05946	1.9
202.98541	2.8
203.04018	5.6
206.98193	2.3
207.01672	2.1
211.00986	3.3
211.04404	2.5
217.00227	5.1
217.01913	100.0
217.05418	3.8
218.02066	5.4
221.04991	5.9
223.01187	2.6
229.01907	41.4
230.02068	2.7
230.98006	3.3
235.02983	36.4
236.03099	2.4
239.06023	5.3
240.03557	1.8
244.99634	2.7
247.00774	1.7
247.03018	20.6
247.06685	1.9
258.04553	2.9
263.00732	7.2
265.03860	2.3
275.06079	5.1
277.04257	2.4
277.07751	3.1
295.08890	7.1
301.03793	1.9
319.05060	4.0
337.05911	4.3
337.09467	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03932	3.4
54.85945	2.0
55.05497	13.5
57.03427	20.3
67.05495	65.6
69.07053	17.0
71.04994	2.4
73.40449	2.3
74.46869	2.0
76.22311	2.2
79.05479	40.0
81.07046	73.3
83.08607	8.8
86.63115	2.1
86.85923	2.3
91.05462	16.2
93.07027	42.8
95.08008	3.5
95.08600	61.7
105.07037	14.1
107.08573	24.4
109.10146	27.3
115.80351	2.2
117.06953	4.7
119.08551	10.2
121.10107	20.4
123.08041	5.9
123.11688	12.5
131.08533	10.2
133.10106	9.2
135.11684	15.4
145.10062	6.1
147.11659	7.0
149.13229	10.6
159.11684	4.4
160.83743	2.4
161.13261	6.0
163.14803	4.3
173.13277	5.6
179.14313	4.8
182.63550	2.7
187.14813	2.6
195.65912	2.3
243.21059	8.8
261.22113	12.1
335.25760	100.0
336.25955	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	336.2275
Annotation	Myristyltrimethylaminium bromide
Peak:m/z	Relative Intensity
53.03916	1.2
55.05477	1.2
60.04507	1.1
69.03423	1.6
69.07063	1.3
69.81943	4.6
69.82347	1.9
70.06568	5.0
72.08144	14.3
81.07028	1.1
84.08140	4.6
85.02874	1.4
86.09677	2.7
87.04432	2.1
89.03902	1.0
91.05489	1.2
95.04952	1.7
98.06022	3.7
98.21339	1.7
103.05437	1.3
105.03375	97.0
106.03690	2.0
110.07144	3.1
112.11212	3.6
116.07016	1.1
119.04967	1.2
120.08070	4.1
121.02837	3.8
122.05954	1.0
126.09068	1.6
129.10231	1.5
131.04866	1.0
134.06004	6.8
134.06857	1.3
135.04413	2.7
136.06171	1.7
140.10675	8.0
144.10179	17.0
145.02783	1.5
158.11725	6.1
162.09117	100.0
163.03918	10.7
163.09439	1.4
176.10674	2.6
178.08627	1.7
179.11766	1.8
187.03851	1.7
205.04948	1.0
215.03357	1.5
219.14914	1.5
233.16444	9.2
243.02863	3.5
250.19093	16.0
261.03882	5.6
303.04703	1.1
318.11523	1.5
318.21622	9.0
336.22775	75.4
337.07108	4.1
337.23026	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	4.7
53.92834	2.0
55.05505	22.9
57.03426	23.6
65.03920	6.3
67.05494	95.7
69.07058	19.2
71.04981	2.8
79.05023	3.3
79.05476	42.3
81.07040	86.7
83.08599	10.1
85.06525	2.8
91.05476	20.8
93.07030	49.1
95.04930	5.7
95.08589	64.1
97.01510	2.2
97.10164	3.8
98.21427	7.0
105.07027	14.5
107.08574	18.7
109.06462	3.8
109.10149	25.4
111.08044	2.9
117.07004	3.6
119.08537	12.8
121.10111	17.8
123.08083	7.0
123.11710	10.0
131.08533	8.7
133.10110	8.2
135.11659	13.1
137.13213	3.8
143.49883	2.0
145.10126	4.9
147.11632	6.9
149.13268	9.9
159.11732	3.9
161.13243	5.2
163.14836	2.5
173.13193	4.1
179.14293	8.4
187.14725	3.1
229.33569	2.2
243.21051	3.8
244.83931	2.4
261.22025	6.6
292.50595	2.2
335.25751	100.0
336.26022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03953	4.0
55.05502	23.2
57.03432	18.9
57.07069	3.0
64.33709	1.7
65.03918	4.1
67.05495	87.1
69.07061	18.0
69.51160	16.7
69.51579	3.6
71.04959	2.8
79.05481	39.6
81.07043	87.5
83.08594	7.8
85.06532	4.1
91.05474	23.5
93.07030	47.6
95.04958	4.3
95.08002	3.9
95.08592	60.7
97.06503	3.6
97.10164	3.9
105.07015	14.3
107.08585	22.0
109.06508	8.0
109.10130	26.9
117.07001	4.4
119.08542	11.2
121.10124	19.2
123.08073	9.1
123.11720	10.9
125.09567	2.0
131.08572	8.4
133.10107	8.8
135.08044	2.1
135.11685	11.8
137.09622	2.0
137.13240	2.1
145.10121	7.5
147.11626	7.1
149.13240	5.3
159.11662	6.4
161.13216	3.6
163.14795	3.9
165.12679	1.7
173.13281	4.0
175.14693	2.1
179.14310	7.8
187.14809	2.7
201.16632	2.2
243.21043	3.0
261.22122	7.5
335.25769	100.0
336.25894	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02352	1.3
53.03930	4.6
55.05502	27.5
56.54562	1.2
57.03430	28.2
57.07051	2.1
57.51771	1.4
65.03907	2.3
67.05494	100.0
68.84740	1.1
69.03397	1.8
69.07053	24.6
69.95694	7.3
71.04983	1.5
73.58757	1.1
74.50784	1.1
78.23322	1.1
79.05481	49.7
81.07047	85.0
83.04969	2.4
83.08602	11.4
85.06520	2.1
89.59444	1.1
91.05469	22.9
93.06436	1.6
93.07034	58.8
95.04953	7.2
95.08593	69.4
97.06494	3.7
97.10152	2.1
99.08092	2.3
105.07006	14.0
107.08581	26.3
109.06513	3.4
109.10152	25.4
111.23822	1.2
117.06990	5.2
119.08565	10.2
121.10123	20.8
123.11674	7.9
125.09588	1.4
131.08560	8.9
133.10136	8.1
135.11674	12.2
137.13165	2.6
145.10109	6.8
147.11661	5.5
149.13176	6.3
159.11658	3.8
161.13231	3.7
163.14780	1.5
165.12762	1.6
173.13196	4.1
179.19400	1.2
189.75945	1.1
243.21167	1.3
261.22125	4.6
335.25745	94.3
336.25891	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	3.8
55.05504	23.8
57.03167	1.8
57.03429	28.4
57.07056	4.7
57.87977	1.1
58.20833	1.1
65.03920	2.9
67.05495	100.0
69.07061	20.4
71.04975	1.8
79.05024	2.3
79.05485	51.9
81.07046	95.4
83.04970	1.9
83.08605	8.7
85.06516	1.6
86.46861	1.2
87.26937	1.2
89.71469	1.3
91.05466	24.7
93.07032	53.0
93.11168	1.1
95.04935	5.7
95.08595	75.2
97.06499	5.4
97.10164	2.3
102.28741	1.2
105.07011	17.5
107.08577	30.3
107.39574	1.2
109.06537	2.8
109.10146	32.4
115.46465	1.2
117.06997	6.4
119.08578	14.2
121.10123	24.3
123.11709	11.0
130.52167	1.3
131.08553	10.1
133.10124	10.4
135.11668	14.4
137.09561	1.8
137.13208	3.6
145.10115	7.0
147.11684	6.8
149.13242	8.5
157.77440	1.2
159.11653	5.1
161.13237	5.9
163.14806	4.6
173.13251	5.7
175.14810	2.4
187.14810	3.2
191.14275	1.5
192.06169	1.3
243.20987	4.5
261.22086	10.9
310.32050	1.4
317.24719	3.8
335.25763	98.8
336.26251	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	335.2574
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
50.20583	0.6
50.82781	0.6
53.03917	0.7
55.01863	0.9
55.05508	8.6
57.03417	2.5
57.07068	4.5
65.03927	1.0
67.05494	13.4
69.03429	1.1
69.07055	7.2
70.31683	2.9
70.97243	0.7
71.04982	1.2
71.08611	3.2
76.58440	0.7
79.05475	8.4
81.07047	12.4
83.08607	4.0
85.06511	2.6
89.15604	0.7
91.05480	3.9
93.07034	9.2
95.04954	2.6
95.08593	17.0
97.06517	1.1
97.10162	1.4
99.08083	2.0
105.07008	4.7
107.08588	6.1
109.06505	17.6
109.10143	7.0
111.08053	1.9
119.08564	5.4
121.06534	1.2
121.10100	5.0
122.07275	1.4
123.08054	47.4
123.11681	1.4
131.08533	2.2
133.10059	3.3
135.08046	6.2
135.11700	1.2
137.09595	6.0
139.11148	1.3
141.15387	0.8
145.10120	2.2
147.08014	0.7
149.09555	1.7
149.13281	1.2
151.11147	1.0
159.11726	1.5
161.13277	1.6
163.11082	0.7
165.12767	1.0
167.14334	1.9
173.13274	0.9
175.14833	0.8
177.12747	0.9
179.14287	63.6
180.14586	1.2
187.14830	1.6
191.14285	0.7
193.15871	2.4
205.15868	1.7
219.17503	0.7
244.63835	0.6
247.17111	1.2
261.18405	0.8
261.22205	0.9
275.23633	1.2
279.19397	5.2
282.33264	0.6
285.22107	0.9
293.20859	0.7
293.41833	0.7
303.23135	8.5
317.24631	1.1
335.25751	100.0
336.26068	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	335.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31225	0.6
57.03408	0.9
58.89754	0.6
59.00786	0.8
60.01624	0.7
67.05486	2.7
67.97610	0.7
69.07053	1.1
71.70689	0.7
79.05477	2.5
79.16422	0.7
81.07043	4.4
82.06571	0.9
83.08590	1.1
91.05453	2.1
93.07017	3.3
95.08582	3.2
96.15712	0.8
97.22451	0.6
100.11217	1.6
105.06992	1.8
107.08571	1.7
109.06481	1.2
109.10107	0.7
110.05996	1.2
119.08559	1.1
120.01059	0.8
121.10127	1.4
131.34872	0.7
133.10124	0.8
147.11620	0.9
163.11192	1.0
177.12692	0.9
219.10947	0.8
257.12299	1.3
276.23410	1.8
277.21643	1.6
294.24213	4.7
317.24689	3.0
335.21878	100.0
336.22037	3.4
336.25385	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	335.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96806	0.5
56.96554	100.0
59.22727	0.5
67.04696	0.6
70.06606	0.6
70.75920	1.6
70.76283	0.6
70.98106	23.7
71.95276	0.8
74.97585	8.1
76.25597	0.6
81.48917	0.6
84.96020	4.5
85.02880	0.7
86.97585	2.5
88.99150	15.5
92.98677	1.1
94.16867	0.5
97.99200	0.9
98.97566	4.8
100.99115	9.5
101.00893	1.9
107.00152	3.0
110.08925	0.6
110.97559	5.4
112.95485	0.6
115.00719	0.8
116.98599	3.9
118.17278	0.6
119.00182	5.9
119.01922	6.1
126.96991	1.2
128.98582	14.3
130.96513	3.3
131.01892	3.2
131.05571	1.2
133.01712	5.3
133.03366	1.2
134.99625	2.3
137.01190	0.7
143.00107	1.6
143.01862	7.3
144.98058	36.4
145.03386	1.2
146.99628	20.9
148.97563	5.4
149.06573	1.4
151.02740	1.5
155.01900	2.8
157.03476	0.7
159.04959	0.7
161.01236	3.9
161.02943	10.9
162.99124	40.8
165.00688	17.9
166.98599	1.1
170.01184	0.7
172.97572	3.8
172.98833	0.6
173.02948	2.2
173.06563	3.3
177.00769	1.4
179.02243	1.4
181.00160	12.6
181.01593	1.1
183.01730	2.4
185.06569	3.9
186.00758	1.0
186.99030	4.4
187.08112	0.7
188.02283	1.7
189.00740	0.7
190.98613	8.3
191.02209	0.6
191.07610	0.8
199.01199	1.7
203.04042	0.9
203.07645	2.5
204.01797	0.8
205.00165	48.8
206.00432	0.8
208.99612	1.6
215.07605	1.1
218.98111	1.9
221.04979	2.4
223.01215	88.8
224.01466	1.5
225.01753	0.7
228.01738	2.7
231.01634	0.9
232.99690	5.8
241.02304	11.6
246.02849	4.3
247.01208	27.7
248.01418	0.7
249.02695	1.2
251.00725	3.2
259.01212	5.7
265.02264	10.0
275.00742	5.1
275.09702	3.5
277.02200	3.2
288.03705	1.9
293.01828	4.1
293.10724	7.8
316.03168	0.6
317.01639	3.8
335.02805	12.0
335.11746	5.3
342.16718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29767	0.9
53.03934	1.6
55.05489	1.3
65.03938	4.1
67.05486	6.5
69.03390	1.0
69.07058	100.0
69.76647	5.2
70.06577	1.7
70.07394	0.8
71.04975	0.9
76.54536	0.7
77.12857	0.8
79.05476	2.2
80.05003	1.2
81.03392	3.4
81.05747	0.8
81.07050	8.5
83.04952	0.9
84.08115	1.1
85.02872	1.2
91.04226	0.9
91.05464	2.7
92.04980	3.9
93.07021	3.2
93.07595	0.7
94.06551	5.0
95.04935	2.1
95.08595	1.9
97.02917	0.9
97.05942	1.4
97.06518	15.9
105.07005	2.6
107.08590	2.2
108.04460	1.6
109.02845	4.1
109.06493	1.4
109.10136	1.6
119.03675	1.0
119.08566	2.2
120.04426	0.9
121.05212	0.9
122.06001	8.5
124.07558	2.8
125.05969	1.4
127.03889	1.4
129.07014	1.1
131.08559	1.1
132.04401	0.8
133.10126	1.0
135.08015	0.8
137.05942	4.0
137.09608	1.6
138.05463	4.9
139.64125	0.8
140.07042	10.4
142.07632	0.8
143.08485	0.8
144.08031	1.7
145.08820	2.7
145.10039	1.4
146.09593	3.5
147.06781	1.1
148.03914	1.3
150.05482	77.2
152.03386	1.1
155.08488	0.9
157.08821	3.5
160.07526	0.9
161.08322	3.3
162.09114	3.4
163.11079	1.0
164.03403	1.3
165.04179	1.2
166.04970	32.4
166.06381	1.6
168.06606	1.1
172.07640	1.8
172.11174	5.5
173.08324	1.6
174.09079	1.5
174.12732	6.1
176.03423	9.1
178.04929	2.1
182.09651	1.0
184.07507	0.8
185.08368	0.9
186.07584	1.5
186.09082	1.3
187.09859	1.4
188.10730	1.2
190.12277	5.0
194.04411	3.0
198.07732	1.7
200.07013	1.4
200.10704	8.7
202.12256	8.5
204.10103	0.8
206.11740	1.1
216.10141	4.9
218.08176	1.7
218.11731	29.8
219.11952	1.1
226.08606	1.6
228.08154	0.9
228.10194	16.5
229.13234	1.5
234.11185	3.6
243.11325	1.4
244.09767	1.1
245.12952	1.6
246.11226	24.5
247.17290	0.8
256.09671	1.5
257.09073	1.3
271.10706	4.8
272.09155	4.1
273.12326	4.3
274.10706	2.2
287.10263	8.5
288.18857	0.8
289.11746	10.6
290.10178	1.7
291.13397	0.9
299.10242	6.9
317.11273	25.7
335.12363	17.5
336.12595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	95.5
58.99866	1.3
61.02886	2.3
63.36696	1.0
69.89846	7.7
70.98109	29.1
74.97606	7.6
79.93779	1.0
84.96003	3.4
85.02875	1.3
86.97581	3.4
88.99150	20.2
95.28826	1.1
97.99158	1.4
98.20760	1.6
98.97562	9.0
100.99132	7.1
101.00869	3.8
107.00172	7.7
110.97552	4.6
113.00888	1.1
116.98594	8.2
118.94151	1.0
119.00143	4.3
119.01912	8.5
123.05532	1.6
125.01183	1.3
125.04723	1.2
126.96969	1.2
127.97861	1.1
128.70668	1.0
128.98581	13.5
130.96468	1.4
131.01874	3.9
131.05540	1.5
133.01700	4.5
133.03465	1.9
134.99638	3.3
143.01884	14.1
144.98061	25.5
145.03461	2.1
146.99626	39.6
148.97586	3.0
149.06577	2.2
151.02747	1.3
154.96533	2.7
155.01855	4.1
161.01228	2.9
161.02931	20.4
162.97736	1.6
162.99126	32.8
165.00706	34.1
170.01178	2.1
172.97563	13.0
173.01482	1.3
173.02887	5.5
173.06514	3.7
175.00674	1.2
177.00648	3.2
177.02078	1.3
179.02197	1.9
181.00151	9.8
183.01683	5.1
185.06522	5.8
186.99103	6.0
187.08150	1.7
189.02560	1.1
190.98607	32.0
191.02316	2.4
191.07645	1.5
203.03993	2.6
203.07594	4.1
205.00171	62.8
208.99687	8.2
214.98561	2.4
215.07582	2.7
218.98119	7.0
221.05072	6.3
223.01231	100.0
228.01755	3.2
231.01703	2.1
232.99670	26.9
236.99179	3.1
237.02982	1.1
241.02274	10.0
246.02835	2.7
247.01218	21.0
249.02832	1.1
251.00729	15.2
256.01474	2.5
257.08646	1.3
259.01273	6.9
265.02228	10.3
274.02347	1.5
275.00726	13.8
275.09750	7.5
277.02301	4.1
292.98956	1.7
293.01797	13.8
293.10754	17.2
311.03104	1.6
316.03320	1.3
317.01746	3.9
335.02768	10.3
335.11826	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	334.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21036	0.2
67.05492	0.3
70.06575	100.0
71.06916	1.1
71.08614	0.9
71.37836	0.6
72.08161	1.6
76.61469	0.3
79.05490	0.3
80.05017	0.4
81.05776	0.4
81.07037	0.6
82.06584	0.4
91.05475	1.0
93.07031	0.5
94.06528	2.1
95.08562	0.4
99.08077	1.2
105.07032	0.4
106.06515	0.6
107.07312	7.4
107.08511	0.5
110.06042	0.4
110.09657	6.2
110.10425	0.3
118.06544	1.5
119.07320	1.4
120.08069	1.4
121.10152	0.4
122.09635	24.7
123.09978	0.4
131.07263	0.3
131.08539	0.6
132.08067	1.0
133.08841	3.0
133.09781	0.4
146.09598	1.1
147.08061	0.2
148.11174	49.3
149.11505	1.8
158.09602	0.3
160.11130	0.6
162.09113	1.6
167.15419	0.6
168.13806	16.7
169.14130	0.6
170.15334	2.5
176.10677	1.4
190.12234	2.9
193.44028	0.3
204.13814	0.6
225.19568	13.3
226.19928	0.7
244.20616	0.8
272.19968	3.1
298.22266	0.3
305.20474	0.3
316.22327	0.3
334.23618	26.2
334.28323	10.2
335.23950	2.5
335.28571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
57.07064	10.3
58.06574	1.9
69.90997	3.1
70.06570	0.7
72.08138	2.7
77.03888	0.8
82.57615	0.5
84.08120	2.3
85.06022	1.1
85.06528	17.4
86.09698	2.7
95.04939	0.8
105.03373	64.7
106.03723	1.1
112.11227	1.8
113.37866	0.7
114.09152	2.9
134.05991	5.1
134.89018	0.5
141.13867	0.9
142.12247	75.6
143.12602	1.6
156.13795	5.0
161.10738	1.1
162.09116	60.0
163.09451	1.8
176.10670	5.6
180.70673	0.5
193.13371	0.7
205.13359	0.6
213.19507	0.5
233.16406	1.7
250.19159	0.6
268.29507	0.6
293.61838	0.6
316.23743	1.3
317.22205	2.1
334.24835	100.0
335.25085	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	333.2419
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
53.03932	7.1
55.01861	3.3
55.05500	20.2
57.03431	28.1
57.07057	4.3
65.03940	1.9
66.90311	1.6
67.05498	48.3
68.89754	1.8
69.03409	1.6
69.07050	22.9
71.04974	3.1
74.79214	1.5
79.05483	66.7
81.07049	50.5
83.04982	3.6
83.08609	7.4
85.06522	2.3
91.05468	65.4
92.05790	2.1
93.07030	76.5
94.07339	2.1
95.04955	8.4
95.08594	39.6
97.06512	4.5
97.10159	3.0
98.21565	3.1
98.98447	16.8
99.07996	1.8
105.07016	73.4
107.08576	42.1
109.06506	3.6
109.10144	14.5
117.06984	15.9
119.08564	59.8
120.08955	2.3
121.10120	31.2
123.08038	1.9
123.11687	3.1
128.06203	3.2
129.05475	3.5
129.06979	11.2
131.08545	22.0
133.10092	33.3
133.11017	2.9
135.08055	2.6
135.11674	27.9
143.08556	9.9
144.09320	1.6
145.10110	20.8
147.11662	24.8
149.09622	2.2
149.13263	11.0
157.10097	6.1
159.11702	18.1
161.13208	13.1
163.11168	2.0
163.14778	4.7
171.11618	9.4
173.13269	9.2
175.11249	2.7
175.14809	6.3
177.12674	1.6
185.13252	10.1
187.14905	2.9
195.08926	1.6
195.68781	1.5
199.14812	5.0
213.16447	2.1
215.17900	2.2
216.93591	1.7
221.02574	1.6
229.60347	1.9
241.19438	14.6
242.19698	2.0
259.20529	22.4
277.21576	3.5
315.23160	6.3
333.24188	100.0
334.24515	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	333.2418
Annotation	20,21-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
53.03934	1.5
55.01861	1.6
55.05493	2.9
57.03405	1.5
67.05493	6.6
69.03409	1.1
69.07060	4.0
70.06635	0.8
71.04960	1.3
71.70141	0.9
79.05485	10.6
81.03414	1.2
81.06605	1.1
81.07047	14.2
83.04977	6.2
83.08607	1.9
87.57300	0.7
91.05463	7.7
93.07036	16.4
95.04992	2.0
95.08593	12.1
97.06517	100.0
98.06847	0.9
98.98455	13.4
100.98856	0.9
102.68921	0.7
105.07018	19.1
107.04967	1.5
107.08587	8.4
109.06504	71.4
109.10129	3.7
110.06839	1.2
111.08086	1.2
111.96416	0.8
117.06989	3.0
118.00224	0.8
119.08559	13.4
121.06491	3.7
121.10134	6.7
123.08054	9.1
123.11778	0.9
128.06248	0.7
129.06935	2.4
131.08548	8.4
133.10112	12.5
135.08015	1.5
135.11684	2.6
137.09599	1.5
137.13173	0.8
143.08568	4.2
145.10089	11.0
147.08009	0.9
147.11659	8.1
149.09650	2.0
149.13222	2.3
155.08539	1.6
157.10130	3.3
159.08084	0.9
159.11655	11.3
161.09538	1.4
161.13237	3.0
163.11177	2.8
163.14816	1.6
169.10110	2.5
171.11670	5.5
173.13228	6.7
175.14799	5.5
177.12645	3.9
181.10066	1.0
183.11621	1.8
185.13304	3.6
187.14810	2.7
189.12741	2.2
189.16399	2.8
191.14217	1.2
197.13226	3.0
199.14882	2.2
201.16360	11.8
203.14256	1.0
211.14848	2.1
213.16374	1.6
215.14297	1.4
217.15810	0.9
223.14851	1.2
225.16454	1.3
227.17929	1.1
229.15860	2.6
230.64914	0.7
241.15921	1.0
241.19490	1.2
253.19498	10.2
254.19839	0.9
259.20547	0.7
269.83273	0.9
271.20511	52.7
272.20862	2.3
272.25894	1.1
279.21085	2.4
282.08026	0.8
297.22052	7.3
315.23132	2.8
331.95224	0.7
333.24200	84.1
334.24524	4.7
334.29080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	16alpha-hydroxypregnenolone
Peak:m/z	Relative Intensity
52.85333	1.0
53.03934	1.3
55.05492	5.1
57.03418	1.3
58.04922	1.0
60.90634	1.1
67.05496	10.0
69.07046	4.0
70.76412	4.1
71.04984	13.0
75.01299	1.2
79.05485	12.7
81.07037	16.8
83.08607	2.4
85.06525	17.3
88.07604	3.5
91.05462	12.4
93.07028	19.0
95.01337	1.2
95.04940	1.8
95.08595	10.9
96.73256	1.3
97.06486	1.9
97.10147	2.2
98.98440	14.8
99.08031	2.6
105.07014	20.2
107.06514	1.2
107.07910	2.3
107.08582	28.5
109.02830	1.3
109.06498	4.2
109.10117	5.4
116.99423	1.3
117.06989	3.4
119.08553	14.3
121.10112	8.4
121.49095	1.4
123.08057	2.7
125.09618	2.5
129.06996	3.8
131.08546	13.1
133.10101	14.7
135.08032	1.3
135.11662	4.1
141.06998	1.6
142.07753	1.4
143.08536	9.1
145.10104	15.8
147.11673	12.0
149.13171	2.1
155.08537	3.4
156.09294	1.5
157.10126	12.9
159.11649	17.4
161.13181	7.0
169.10117	3.0
171.11646	11.3
173.13240	10.7
175.11182	1.4
175.14828	1.7
177.12605	2.1
183.11696	6.7
185.13197	6.9
187.11182	2.2
187.14796	5.3
189.12689	9.0
191.14238	3.6
195.11667	2.8
197.13208	9.7
198.13991	1.3
199.14812	10.0
203.14272	4.6
209.13158	2.2
211.14743	3.4
213.16330	14.6
214.16750	2.1
215.14255	5.1
215.17810	1.8
217.15825	1.3
223.14714	4.6
225.16290	2.2
227.17885	9.2
231.17516	2.2
237.16254	2.4
239.18019	6.9
241.15863	3.9
241.19550	1.4
242.24654	2.5
245.12210	1.5
245.18979	2.5
253.19481	9.3
255.17322	2.4
255.21043	13.0
257.18817	6.9
271.20471	2.9
273.22040	1.9
279.21094	10.7
286.27362	1.3
292.22601	2.9
297.22083	75.1
298.22330	3.9
315.19385	2.8
315.23123	47.1
316.23309	4.2
333.20200	9.5
333.24133	100.0
334.24210	13.6
334.29141	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	333.2417
Annotation	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.52168	9.5
55.05477	10.5
57.03417	15.6
59.75911	9.3
62.55088	9.6
67.05489	30.9
69.07038	17.9
69.99114	48.5
71.72620	10.6
75.09354	9.8
79.05465	20.4
81.07029	29.8
91.05434	49.1
93.07018	28.6
95.05029	10.3
95.08588	30.9
97.10185	9.7
98.98447	94.1
105.07014	100.0
107.08585	39.2
117.06992	15.0
119.08550	36.4
121.10199	19.5
131.08522	28.3
133.10089	75.4
135.11662	14.5
141.53058	11.8
143.08566	16.7
145.10126	16.9
147.11688	24.4
155.08554	11.1
159.11705	75.3
161.13245	14.8
171.11714	11.2
173.13206	19.7
185.13301	14.1
199.14755	16.5
203.14398	11.4
259.20578	12.0
279.21088	46.1
297.22076	81.9
315.23129	38.9
333.24301	56.5
352.46393	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	333.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
57.03429	1.1
66.98573	0.4
67.05506	2.3
69.07047	1.0
70.83440	1.7
79.05475	2.4
81.07047	2.5
91.05464	1.7
93.07018	2.5
95.08567	1.4
98.98459	3.2
105.07007	2.8
107.08576	1.7
109.10139	0.7
118.54176	0.4
119.08542	1.4
121.10120	0.7
127.72394	0.4
128.53938	0.5
131.08577	0.8
133.10110	1.4
135.11649	0.9
147.11649	0.6
149.13237	0.7
159.11626	1.0
167.43465	0.4
171.11653	0.6
231.32549	0.4
243.14479	0.5
259.20511	0.7
263.12592	0.7
269.75888	0.4
281.41284	0.5
333.20322	100.0
333.23755	4.4
334.20493	3.8
334.23840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
53.03939	4.2
55.01865	4.4
55.05508	17.8
56.05028	1.4
57.03429	30.2
57.07054	4.4
58.06575	2.4
65.31097	1.3
67.05498	35.1
68.05796	1.5
69.03421	1.3
69.07059	17.7
71.04967	1.7
71.08593	2.0
73.02913	1.7
74.06082	1.4
79.05485	48.2
79.38905	1.2
80.51462	1.5
81.03428	2.0
81.07047	45.1
83.04958	2.4
83.08606	6.3
85.06514	2.9
86.06046	2.1
86.84629	1.3
88.07642	9.6
91.05469	54.5
91.06042	2.6
93.07030	49.4
95.04955	6.4
95.08591	28.5
97.06508	3.9
97.10135	2.7
98.98460	3.5
103.03920	2.4
105.07019	79.5
107.08578	31.3
109.06523	3.4
109.10142	12.6
117.07005	16.7
119.08566	59.3
119.09419	3.1
121.06457	1.8
121.10141	25.8
122.33257	1.4
123.11702	1.7
129.05479	16.3
129.06975	9.6
131.08549	23.9
132.10181	2.1
133.10115	38.2
133.11133	2.2
135.11678	20.6
137.09624	1.6
137.13182	1.5
143.08531	8.3
145.10100	19.9
147.11684	20.6
149.13225	10.7
153.54202	1.4
155.07108	2.3
157.10138	8.3
159.11665	18.3
161.13229	17.3
163.11105	2.5
163.14821	4.6
171.11691	10.0
173.13258	15.4
175.11147	1.5
175.14838	12.9
177.40353	1.5
185.13251	12.0
187.14816	2.8
189.12822	2.4
199.14819	6.8
213.16327	4.7
215.17958	4.1
217.19482	7.5
231.21132	3.2
241.19489	34.5
242.19815	2.0
242.24792	6.6
243.21062	2.4
259.20544	23.7
277.21594	3.2
283.99478	1.6
286.27380	2.2
315.23151	5.3
333.24210	100.0
334.24554	6.5
334.29498	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02231	0.7
52.08780	0.7
55.05497	1.1
57.03412	1.6
58.06582	1.6
67.05495	2.6
68.78955	0.7
69.07063	1.8
69.75493	5.5
71.04979	1.1
79.05489	3.3
80.45570	0.7
81.07034	3.6
83.08620	1.1
84.08121	0.9
85.06525	1.3
91.05472	3.7
93.07021	3.6
95.08589	2.2
98.98448	7.4
105.07008	6.0
107.08563	3.7
109.06535	0.8
109.10128	1.8
112.07579	1.0
117.07008	1.0
119.08562	3.7
121.10129	1.1
124.07549	1.9
129.05457	0.9
131.08530	1.6
133.10112	3.2
143.08548	0.8
145.10086	1.9
147.11687	1.4
157.10028	0.9
159.11650	1.7
161.13274	0.9
171.11674	1.1
173.13312	1.0
185.13162	0.7
239.17911	1.0
241.19424	0.8
243.88794	0.8
247.12949	3.7
255.20990	1.4
257.19028	1.4
275.20068	2.2
297.22171	3.4
315.19299	8.8
315.23096	2.2
316.22729	1.7
316.93411	0.8
333.20346	100.0
333.24097	7.3
334.20441	3.3
334.23843	7.2
334.29611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16340	0.6
55.05491	1.1
57.03421	1.7
60.80790	0.7
67.05481	2.4
69.07050	1.3
71.71659	1.4
75.65201	0.7
79.05470	2.8
81.07050	4.1
91.05459	3.4
93.07047	3.7
95.04911	1.2
95.08585	3.0
98.98460	9.9
105.07010	6.0
107.08549	2.7
109.06436	0.8
109.89659	0.7
111.93583	0.7
113.41125	0.7
117.06985	1.2
118.42178	0.6
119.08568	3.2
121.06411	0.8
121.10094	1.7
131.08528	1.9
133.10086	2.9
135.11649	1.4
143.08556	1.0
147.11679	1.5
149.13240	1.0
159.11713	1.9
161.13153	1.3
164.03593	0.7
173.13277	1.1
214.77324	0.8
231.17148	1.0
235.12994	1.1
259.20554	0.8
266.88144	0.9
273.94586	0.7
275.20065	0.7
301.19635	1.0
333.20291	100.0
333.23639	4.3
334.20633	3.1
334.24042	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	333.115
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
54.96637	0.3
56.41206	0.4
56.96548	0.4
60.68608	0.3
66.51561	0.3
70.06567	0.6
70.63936	1.2
72.08130	1.0
84.08118	0.8
85.02882	0.4
85.84876	0.4
86.09674	1.4
87.10017	0.4
92.01978	0.3
92.02688	0.4
98.98449	6.9
100.98839	0.4
117.07332	0.4
119.01875	0.4
119.08552	0.5
123.05563	0.8
134.99586	0.4
136.06149	0.7
171.06270	1.2
176.98955	0.6
221.05049	1.6
231.77631	0.4
235.06584	0.5
247.06512	0.5
257.05066	0.8
273.09195	0.4
289.07669	0.4
333.11514	100.0
334.11856	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	333.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38477	5.2
55.05501	13.4
56.05018	5.2
69.03401	6.8
69.07051	9.6
70.06577	15.9
71.04980	13.9
71.69787	10.4
72.08135	23.8
73.08482	4.9
74.06061	8.0
81.03371	6.2
81.07043	31.1
84.04497	14.4
84.08132	10.8
85.02890	13.0
85.87906	4.5
86.09688	25.7
91.05457	8.3
93.07009	9.3
95.04977	5.7
95.08565	7.1
96.36662	5.9
97.06512	8.1
98.98452	100.0
100.95685	4.8
101.07134	6.2
105.03394	6.6
105.07034	9.2
107.08559	12.8
109.06478	5.1
119.08539	11.7
120.08062	7.8
121.87979	4.9
129.06593	8.2
129.10257	7.1
139.03896	6.4
147.08031	7.8
149.32285	5.1
153.12756	14.1
157.13351	5.6
159.08018	6.4
162.09108	8.7
165.12744	9.6
173.12833	18.8
174.11247	5.4
174.13174	16.1
176.98959	10.9
201.12447	6.7
202.12686	7.4
239.01550	5.2
273.03690	12.2
287.05548	11.6
287.10129	5.9
290.04138	14.0
311.05768	5.3
315.05020	9.8
315.09512	9.5
333.05905	15.5
333.10275	7.9
333.13931	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	332.2175
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
50.90653	0.4
54.23857	0.4
55.05506	0.6
58.06591	0.6
60.04515	21.4
61.67664	0.4
67.05482	0.4
69.07048	0.6
69.93406	0.7
69.93731	2.6
70.02940	1.0
70.06580	2.3
70.54106	0.4
72.04498	0.9
72.08143	1.1
76.02241	0.5
79.05482	0.6
81.07028	0.9
84.08128	1.2
85.02901	0.8
86.09693	82.5
87.05580	14.7
87.10049	0.7
88.00211	0.8
91.05469	0.9
95.04956	0.6
96.08087	0.5
97.02841	0.5
98.09658	0.5
98.98448	11.0
99.08080	0.8
100.98864	0.5
101.01592	0.5
105.07062	0.5
107.08617	0.5
108.08121	0.7
110.09654	0.6
112.11256	0.6
126.09139	0.5
128.10698	8.9
132.10197	4.6
136.07523	0.5
137.05934	0.5
156.08450	0.5
156.13860	2.0
167.06964	0.6
173.12830	100.0
174.13142	1.3
176.98851	0.8
196.08253	0.5
201.12315	22.8
216.12314	0.6
219.13283	0.8
223.08334	0.5
225.03827	0.9
245.18579	1.8
263.21198	0.5
314.24255	2.0
315.13248	0.6
332.23560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03936	0.9
56.96564	0.8
57.03422	1.2
57.46597	0.4
61.02918	2.4
65.03916	1.0
67.05481	2.1
69.03417	6.1
70.14809	2.4
73.02898	1.4
79.05479	1.4
80.04989	0.5
81.03403	2.0
81.07030	0.6
85.02894	6.2
87.04456	1.4
91.03970	0.5
92.04993	0.5
93.05748	0.8
96.08138	0.6
97.02883	2.8
98.97549	0.5
99.04451	0.9
106.06544	4.7
108.08100	100.0
109.02863	1.0
109.08439	2.4
116.04211	0.4
116.98526	0.7
123.06783	4.6
124.07579	15.6
127.03879	0.9
133.03479	0.4
134.05991	10.4
136.07561	15.0
137.08444	0.5
140.02406	0.5
148.53909	0.5
152.07045	65.1
153.07416	1.1
154.08601	2.2
170.08089	7.2
170.09474	0.6
193.00154	0.4
201.17645	0.4
208.01288	0.5
223.01334	0.5
251.08009	0.4
314.12283	48.0
315.12650	1.6
332.13351	64.5
333.13672	1.7
346.98361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2835
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05500	12.0
57.03414	6.5
57.03676	1.5
57.07065	100.0
67.05495	24.5
67.91267	1.7
69.07054	16.0
70.06564	5.2
71.08620	70.9
75.04472	4.6
79.05456	2.5
79.27843	1.5
81.06605	2.6
81.07045	35.4
83.08607	21.1
83.23955	1.5
85.10162	38.2
86.41975	1.4
88.07608	4.5
89.06035	2.8
93.07041	2.2
95.08591	50.1
97.10152	12.8
98.98445	50.5
99.11695	2.6
100.98904	2.0
106.08649	1.9
109.10135	26.0
111.11700	3.3
117.06957	1.9
121.10052	1.9
123.11693	11.6
125.13260	3.2
137.13234	4.7
145.10083	4.0
174.99240	3.1
176.99026	3.3
221.22621	2.7
239.23686	18.2
257.24786	5.5
313.27307	60.9
331.22656	2.5
331.33902	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08109	0.4
55.01883	0.6
56.96562	1.7
57.03429	1.5
57.47307	0.4
60.85036	0.4
61.02921	2.2
65.03936	1.3
67.05496	3.0
69.03425	5.4
69.07063	0.3
71.01371	0.4
72.08143	0.9
73.02914	2.0
79.05479	1.0
80.05051	0.4
80.32848	0.4
81.03403	1.8
81.07055	1.2
84.04478	0.5
84.70784	0.4
85.02896	7.6
86.09712	2.3
87.04457	1.1
91.03954	0.5
92.04975	0.4
93.05762	0.7
96.08121	0.8
97.02892	3.0
98.97578	0.8
98.98431	0.5
99.04422	0.7
101.02372	0.7
104.10728	2.7
106.06539	3.8
107.07353	0.4
108.08105	100.0
109.02865	0.9
109.08438	1.4
110.36294	0.4
115.02431	0.5
116.98578	0.4
119.01924	1.7
120.02005	0.4
123.06796	4.5
124.07584	16.9
127.03910	1.6
128.02353	0.5
131.01888	1.1
133.03462	0.7
134.05998	10.1
134.07021	0.5
136.07562	14.2
137.08313	0.4
143.01836	0.5
143.11267	0.3
145.03452	0.8
145.04892	0.5
152.07050	65.8
153.07446	0.7
154.08617	1.6
155.01842	0.6
157.13397	0.9
161.02922	0.8
161.05627	0.5
163.04477	0.7
168.02072	0.4
170.08090	6.7
170.09291	0.8
173.02988	1.0
174.02991	0.5
187.00938	0.5
187.02863	0.4
189.02446	0.8
201.02475	0.5
203.03987	0.4
205.00296	0.7
213.02449	0.5
221.05078	0.5
222.05119	0.4
223.01221	1.2
229.01886	0.6
231.03523	0.5
243.03529	0.5
245.05312	0.4
252.43227	0.3
300.02591	0.6
301.68268	0.4
314.12305	36.5
315.12653	1.0
320.77390	0.4
332.13351	45.6
333.09824	0.6
333.13715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05497	14.8
57.03416	8.9
57.07067	100.0
67.05494	23.6
69.07063	16.2
70.07260	11.4
71.08621	65.5
75.04465	2.3
79.05489	2.5
81.07046	31.0
82.64661	2.6
83.08611	26.0
85.10165	37.3
95.08587	52.0
97.10173	11.7
98.98451	66.5
99.11723	2.7
109.10139	24.7
114.34689	2.3
123.11658	10.3
137.13213	4.3
174.99115	2.3
176.98907	5.1
219.16830	2.2
221.22673	2.9
239.23640	16.0
257.24539	6.0
261.04776	2.6
275.96295	2.3
304.35739	2.4
313.27325	55.6
331.22672	2.7
331.34000	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	331.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
57.03416	4.1
57.07067	46.3
58.60955	1.7
58.75547	1.4
67.05496	14.9
69.07051	8.6
70.06585	3.6
71.06911	1.7
71.08618	38.0
71.70177	2.4
75.04461	2.1
79.05463	2.6
81.07041	18.5
83.08250	1.2
83.08616	12.8
84.50385	1.6
85.10168	18.4
88.07605	5.2
91.05457	2.7
93.06992	2.3
95.08594	27.6
97.10136	5.9
98.98450	100.0
99.11691	1.8
100.98872	2.1
105.06989	2.7
106.08675	2.2
109.10152	10.3
111.11651	1.9
116.99476	2.5
119.08541	2.1
123.11674	4.5
131.08530	2.2
133.10107	1.6
137.13243	2.2
145.10109	2.6
151.14803	1.8
174.99184	2.5
175.03947	2.4
176.98866	8.7
206.00133	1.6
210.82973	1.2
228.09297	1.4
239.23642	7.7
257.24710	3.4
264.22388	1.5
284.61426	1.5
313.27295	29.0
313.32800	2.3
331.22672	3.4
331.33932	39.8
349.98874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2261
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
67.05488	5.7
67.89433	3.4
69.42284	19.7
69.42715	10.0
79.05459	3.1
81.07043	3.3
85.06555	3.9
89.50854	2.5
91.05466	4.9
93.07035	7.0
95.08589	5.1
97.06494	6.5
98.98454	100.0
105.07006	8.3
107.08583	7.1
109.06503	4.6
110.57638	2.8
117.06952	3.4
119.08511	4.7
123.08025	12.4
127.13711	3.0
131.08534	6.3
133.10081	6.1
145.10121	13.2
147.11610	4.5
148.50243	3.0
149.09509	3.5
149.17935	2.9
154.57762	2.9
157.10104	4.8
158.07115	2.6
159.11664	9.9
161.09547	3.5
161.13222	3.8
171.11644	3.1
174.99187	5.6
176.98923	6.6
177.12764	3.7
185.13159	5.0
201.12779	3.4
203.14243	10.0
219.11592	2.9
295.20514	23.0
313.21597	29.7
331.22363	4.9
346.28189	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.226
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
53.03956	0.7
55.01853	1.1
55.05491	0.6
57.03403	0.5
58.03164	0.4
65.03923	0.5
67.05485	2.2
69.03406	0.6
69.07031	2.4
70.96771	1.3
71.00417	0.4
79.05477	8.5
81.07042	7.6
83.04964	4.4
91.05470	2.5
93.07030	3.7
95.04937	1.0
95.08584	3.0
96.73157	0.4
97.06512	100.0
98.06843	0.7
98.98451	5.5
101.06011	0.8
105.07022	3.4
107.04955	0.8
107.08572	3.6
109.06497	82.4
109.10112	0.8
110.06824	1.6
117.07027	1.0
119.08559	3.0
121.06502	1.5
121.10143	1.4
123.08045	8.9
129.06979	1.1
131.08569	2.7
133.10114	2.1
135.08028	0.9
135.11671	0.7
137.09602	0.6
143.08549	1.6
145.10097	3.9
147.11665	1.2
149.09610	0.9
155.08504	0.6
157.10104	2.2
159.11685	1.8
161.13222	1.0
163.11113	1.4
169.10115	1.5
171.11659	1.6
173.13281	1.2
177.12740	1.2
183.11670	1.0
185.13208	1.3
187.14804	0.8
197.13240	0.7
199.14807	1.1
203.14297	0.5
207.11670	0.5
209.13173	0.6
211.14740	1.0
213.12614	0.5
215.14441	0.7
217.15703	0.4
221.13159	0.6
223.14745	0.7
225.16327	0.9
231.17372	0.8
235.14911	0.5
237.16348	0.8
253.19495	2.0
255.17416	0.5
267.21155	0.7
269.18884	0.5
271.20679	1.3
277.19492	1.7
283.20654	0.5
295.20572	3.4
313.21661	3.1
331.22610	63.4
332.22946	1.7
346.31412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2238
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
55.95960	0.6
56.46407	0.5
59.90315	0.5
71.48265	0.6
71.48598	0.8
85.85302	0.6
95.82811	0.5
98.97812	1.0
98.98456	20.7
105.06987	0.9
119.08540	0.8
121.03163	0.5
145.10081	1.7
151.94714	0.5
174.99174	0.7
176.98808	1.3
220.81380	0.5
320.49100	0.6
331.22394	100.0
332.22791	3.0
332.26163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.226
Annotation	[4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid
Peak:m/z	Relative Intensity
53.03945	1.0
55.01859	1.6
55.05487	1.6
57.03434	0.9
65.63455	0.5
67.05493	4.7
69.07050	2.0
70.95061	1.0
70.95457	1.3
79.05475	10.2
79.59143	0.5
81.03423	0.6
81.07041	9.3
83.04960	5.4
83.08595	1.0
85.06541	0.7
87.04459	1.0
91.05476	5.0
93.07020	4.5
95.04913	1.0
95.08587	5.8
97.06512	100.0
98.06834	1.1
98.98449	48.6
100.98853	0.9
101.05994	0.9
105.07008	6.3
107.04944	1.0
107.08566	4.3
109.06499	78.6
109.10149	1.5
110.06815	1.4
116.99498	2.2
117.06985	1.8
119.08565	4.5
121.06481	2.2
121.10128	2.4
123.04293	0.6
123.08037	8.8
129.07018	1.5
130.07660	0.7
131.08533	4.0
133.10094	4.8
133.48404	0.6
135.08012	1.0
135.11641	1.6
137.05949	1.2
137.09602	1.8
142.07767	0.9
142.71277	0.6
143.08517	3.5
145.10097	13.5
147.11658	2.0
149.05916	1.2
149.09630	1.9
155.08496	1.2
157.10112	3.9
159.11702	3.9
161.09653	1.0
161.13271	1.6
163.11145	1.1
165.06973	0.8
169.10043	1.7
171.04599	0.6
171.11639	4.2
173.13228	2.1
174.99196	1.7
175.11143	0.7
176.98880	3.2
177.05548	0.9
177.12740	1.1
181.06409	0.8
183.11696	2.6
185.13252	2.7
189.12737	1.0
197.13240	1.4
199.14828	1.3
209.13197	1.0
211.14815	0.8
213.16371	1.6
215.14226	0.9
225.16307	1.1
237.16360	1.0
239.17946	1.0
251.17860	0.7
253.19490	2.3
255.17479	0.8
257.18961	1.7
267.20978	0.7
271.09625	0.7
271.20462	1.3
277.19540	1.7
283.20428	1.1
295.20538	5.3
299.09048	1.3
303.12061	0.7
313.21548	4.8
331.11890	3.9
331.22626	64.0
332.22916	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	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97004	1.5
53.03917	1.8
53.25802	1.6
55.48420	1.6
65.03919	1.8
65.92343	1.4
67.05507	2.2
69.82903	7.7
69.83318	2.8
71.26184	1.5
79.05453	3.3
81.07038	2.3
84.08114	1.9
91.05459	33.9
93.07021	2.5
94.04152	2.0
95.04939	7.1
98.98447	70.9
103.05450	3.8
105.06998	5.1
107.04920	6.5
109.06487	4.4
111.04427	1.9
116.99525	1.9
117.06963	2.0
119.04172	1.6
119.04930	19.4
121.02924	1.9
121.06475	6.9
121.10091	1.6
122.03627	9.5
123.04392	1.7
128.06201	4.6
129.06989	17.2
131.04926	7.6
133.06490	2.8
135.08034	4.6
136.05138	3.2
137.05951	96.5
143.04890	2.3
145.06424	4.9
146.03534	1.6
146.37936	1.7
147.07912	1.8
148.05008	2.2
149.05948	14.5
150.06725	1.9
151.03876	4.3
151.07512	100.0
152.06175	4.6
153.06863	2.1
154.07675	1.7
156.13896	1.8
157.06491	13.4
161.05959	19.9
161.09602	3.7
162.06886	1.9
163.07520	20.0
165.06972	14.3
165.09087	4.6
166.07701	2.2
167.07135	2.6
167.08531	17.8
168.35266	1.4
174.06734	8.1
174.99236	2.6
175.07523	4.8
176.98935	6.0
177.06947	2.2
177.09053	2.2
178.07762	7.0
179.08556	2.1
181.06424	6.3
182.07245	3.5
187.12230	2.0
189.09079	40.9
191.08492	2.3
193.06436	9.2
193.10066	8.6
194.07227	4.6
195.08020	29.6
196.08649	2.7
197.05948	6.4
197.09653	1.8
202.07625	1.9
203.08482	3.4
206.07230	2.3
207.08127	2.4
207.10129	4.5
209.05923	3.2
209.09575	5.0
210.06680	10.4
211.07515	5.1
212.08221	4.9
215.00739	1.6
215.11728	2.5
220.08754	2.7
221.06020	11.8
221.09567	14.8
222.06619	1.9
223.07506	15.1
224.08231	6.0
225.05487	3.2
225.08987	13.3
227.07043	2.8
227.10611	36.9
231.07924	1.7
235.07442	2.4
237.05214	1.8
237.09126	3.9
238.06169	6.0
238.09935	3.3
239.06967	3.9
240.07770	3.6
241.08473	1.6
241.12196	2.3
243.11246	11.8
249.09064	8.0
251.06909	1.6
253.08565	17.6
253.12192	20.6
255.06349	2.5
255.07138	2.3
255.10144	36.9
256.10666	1.8
267.10104	5.8
269.08066	5.0
269.11731	2.2
270.08826	3.5
271.10565	5.4
272.10449	2.9
281.11673	7.0
285.11090	22.4
287.12729	50.5
298.11929	2.4
299.12717	2.3
303.13205	5.3
313.11459	4.4
313.14609	10.4
331.11752	3.0
331.15338	4.4
331.25974	5.1
332.23337	2.2
333.92969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
60.04496	1.7
65.03923	1.8
67.05489	2.6
68.86330	1.0
69.03401	1.6
70.05211	6.4
70.06544	1.5
74.26797	0.9
79.05460	4.3
81.07037	3.5
83.04913	1.4
91.05462	33.8
91.06034	1.7
93.07018	1.5
94.04158	3.0
95.04930	7.4
95.08592	1.6
97.02847	1.1
97.06493	1.2
98.21436	1.2
98.98450	53.7
100.98866	3.0
103.05462	6.1
105.07006	5.7
107.04931	6.7
107.08531	1.2
109.06487	4.3
109.10099	1.4
109.61117	1.0
115.05444	2.5
116.99458	2.3
117.06973	3.2
119.04919	14.4
119.08534	2.1
121.06461	6.3
122.03628	8.6
123.08029	3.6
128.06183	5.2
129.06976	16.7
131.04913	6.1
131.08511	3.6
132.05695	1.7
133.06485	3.4
133.10066	1.3
135.04352	1.4
135.08040	6.0
135.11754	1.1
136.05179	1.9
137.05956	83.4
143.04863	2.7
145.06427	3.9
145.10104	1.5
146.07198	1.3
147.04387	1.3
147.08012	1.4
148.05142	1.4
149.05939	13.1
149.09492	1.1
150.06728	1.4
151.03882	2.8
151.07516	100.0
152.06171	4.1
152.07797	1.6
153.06960	2.4
157.06456	11.4
159.04358	1.8
159.11633	1.9
161.05962	18.3
161.09616	5.3
163.07521	20.2
165.05634	1.7
165.06976	14.2
165.09023	5.0
166.07742	3.0
167.08525	16.8
169.06473	3.0
174.06737	6.6
174.99159	2.2
175.03888	1.4
175.07451	4.2
176.98886	4.0
177.06960	2.8
177.09087	3.3
178.07744	6.8
179.08463	2.0
181.06413	7.1
181.09976	1.1
182.07225	4.8
184.08913	1.3
185.13200	1.7
189.09074	30.4
190.09460	1.1
191.06967	1.1
191.08549	2.0
192.09331	2.5
193.06451	9.2
193.10107	7.4
194.07104	1.9
195.08032	24.3
196.08652	1.6
197.05948	5.9
197.09569	1.5
199.07484	1.5
202.07841	2.6
203.08522	3.7
203.14246	2.7
205.06451	2.0
206.07285	2.8
207.08238	1.6
207.10089	6.0
209.05867	3.0
209.09596	3.5
210.06766	11.0
211.07527	3.8
212.08270	4.2
213.09050	1.4
219.07928	1.1
220.08807	1.1
221.05978	8.8
221.09525	10.0
222.06560	1.4
223.07495	10.7
224.08228	3.5
225.05377	1.6
225.08932	8.1
226.06221	1.1
227.06970	4.7
227.10619	28.8
229.08557	1.6
234.06744	2.5
237.09024	3.3
238.06087	5.9
238.09836	2.6
239.06960	2.5
239.10504	1.1
240.07788	3.0
241.08644	1.9
241.12126	2.0
243.11162	3.4
249.09003	6.3
252.07834	2.4
253.08545	15.7
253.12204	18.0
255.07310	2.1
255.10094	30.3
262.15884	1.1
266.09415	1.6
267.10117	5.3
269.08081	4.8
269.11627	2.5
270.08813	1.4
271.09390	1.5
272.10403	3.4
281.11606	6.3
284.10284	1.6
285.11157	20.3
287.12729	41.6
295.20566	6.4
299.12460	1.8
301.13916	1.5
313.14294	13.3
313.21576	7.1
331.08127	2.2
331.11755	2.3
331.15308	5.6
331.26785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
52.41878	0.9
53.03934	1.3
55.05490	2.3
61.56018	0.9
65.03921	1.2
67.05475	1.6
69.03419	1.0
70.06584	1.6
70.07071	1.9
70.07440	5.0
79.05461	3.0
81.07043	3.2
83.08597	0.9
85.06543	0.9
86.09699	1.4
91.05469	22.3
93.07034	1.7
94.04164	2.6
95.04958	4.7
95.08592	2.1
98.98453	100.0
100.98856	2.4
103.05434	4.2
105.03327	1.4
105.07008	5.1
107.04929	4.0
107.08551	1.1
109.06498	2.8
111.04451	1.1
116.99508	3.1
117.06966	1.9
119.04937	11.9
119.08525	1.2
120.08051	1.6
121.06481	5.8
122.03638	4.6
125.05979	1.4
125.09550	1.1
128.06244	4.8
129.07001	12.1
131.04893	3.6
131.08545	2.0
133.06494	1.7
135.08035	4.1
136.05142	2.8
137.05954	53.3
141.07039	1.4
143.04921	1.2
143.08545	1.1
145.06465	2.3
145.10056	1.1
147.04405	1.7
149.05969	8.8
151.03952	1.6
151.07523	58.1
152.06165	2.2
153.07002	1.9
157.06488	8.0
158.07274	1.0
159.04396	2.2
161.05933	9.0
161.09560	3.4
163.03935	1.5
163.07524	13.8
165.06970	9.6
165.09099	2.4
166.07764	1.5
167.07179	1.7
167.08537	11.2
169.06422	1.8
174.06702	3.3
174.99156	4.8
175.03862	2.2
175.07507	3.5
176.98900	7.7
177.05431	1.0
177.09056	2.0
178.07800	5.5
179.08507	2.3
181.06456	4.3
181.10178	1.6
182.07246	3.1
183.08076	2.2
187.07532	1.3
189.09082	24.0
193.06462	3.4
193.10078	3.7
194.07085	2.3
195.08020	17.4
197.05966	3.3
197.09424	1.6
199.07504	1.2
203.08502	2.0
206.07219	1.5
207.08081	1.0
207.10077	3.0
209.05937	1.5
209.09647	2.3
210.06740	6.7
211.07494	2.8
212.08264	2.1
221.06017	7.1
221.09494	8.3
222.06815	1.3
223.07526	7.5
224.08206	2.5
225.05562	1.5
225.09045	6.6
227.07077	2.3
227.10603	17.3
229.08559	1.2
237.08989	2.8
238.06120	4.9
239.06949	1.7
240.07703	2.5
241.08458	2.0
247.09726	1.3
249.09016	4.6
252.07747	1.5
252.99762	1.3
253.08582	9.9
253.12206	10.5
255.06496	1.8
255.10118	18.9
255.68735	1.1
267.10110	3.8
269.08038	3.2
269.11649	1.8
270.08505	1.3
272.10403	2.3
281.11679	4.4
285.11160	12.8
287.12744	28.7
301.14346	1.5
313.14340	9.1
331.04489	1.3
331.11560	8.2
331.15216	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	331.1532
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05497	8.0
56.39762	1.0
57.03418	1.5
57.07060	5.3
65.03924	3.6
67.05489	19.1
69.07046	2.6
69.39206	4.3
69.39639	6.7
71.04961	1.8
79.05470	1.5
81.07056	2.0
85.06522	15.7
86.06893	0.8
91.05466	7.9
92.42747	1.0
93.07064	1.4
95.04932	1.2
95.08570	2.1
97.06520	3.9
98.98447	83.1
100.98868	2.3
101.22014	1.0
101.32259	1.0
102.28065	0.8
103.05450	1.0
105.06995	3.6
107.04924	1.1
107.08572	1.4
109.06475	3.2
115.05433	1.1
116.99478	4.0
117.07021	2.9
119.04938	1.7
119.08574	2.4
121.06486	1.8
123.08068	1.2
129.07001	2.0
131.04903	8.2
131.08540	2.4
132.20715	1.4
133.10139	1.4
142.07698	1.1
143.08543	1.3
145.06490	2.1
145.10106	10.0
147.04393	13.7
147.11769	1.2
155.08505	1.9
157.10123	1.8
159.04408	7.9
159.07870	1.1
159.11687	2.8
161.05956	2.9
163.03867	3.4
171.04356	2.7
173.05930	2.3
173.13335	1.1
174.99213	3.8
175.03876	100.0
176.98901	7.0
177.05437	12.3
183.11665	1.0
187.03860	23.8
187.07527	2.6
189.05446	8.4
198.06866	1.0
199.03865	9.0
201.03877	0.9
201.05444	5.4
201.09100	1.6
203.03383	4.9
203.07048	1.6
205.05022	1.1
213.05405	2.3
213.09065	1.2
215.06998	3.3
217.04861	1.8
217.08528	1.9
217.20270	0.9
226.06215	5.3
227.06892	1.6
228.07816	1.5
229.08551	23.4
231.10120	15.3
239.18019	1.1
241.08534	19.1
243.10133	18.2
245.08018	2.0
247.09630	44.7
253.08463	2.9
257.18991	2.0
259.07019	0.7
259.09592	16.7
271.09457	1.1
295.13229	2.1
313.14276	13.9
331.11899	1.2
331.15411	6.0
331.22699	6.9
337.44623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95215	0.2
54.23793	0.2
55.05496	0.6
58.06592	2.7
64.51102	0.3
64.52264	0.3
69.03410	0.6
70.06582	1.1
70.85355	0.3
70.85709	0.7
71.08623	10.9
71.09018	0.6
72.08147	10.8
84.08141	2.0
85.02888	0.2
86.06047	0.9
86.09679	1.0
87.04440	1.1
91.05443	0.4
98.06047	1.6
98.98457	13.5
99.08082	21.2
100.07603	0.4
100.08395	0.4
111.08065	0.7
112.11227	3.1
114.09106	0.3
116.99468	0.4
121.02857	1.1
121.23396	0.2
128.10701	2.2
137.05989	1.2
138.06337	0.2
139.03888	0.4
140.09637	0.5
140.10690	7.6
144.10211	1.8
149.99702	0.3
151.07512	0.8
155.15410	1.0
156.13818	100.0
157.14256	1.7
158.11734	5.0
158.12947	0.5
163.03937	0.5
171.14917	0.9
173.16441	1.5
174.99232	0.6
175.07457	0.4
176.98880	0.5
188.08076	0.3
195.02898	0.7
204.82455	0.2
227.21144	6.0
232.20197	0.5
244.23825	7.9
244.26366	0.4
245.24077	0.4
286.24887	1.4
287.12964	0.3
287.24960	0.3
312.26413	4.5
313.24695	1.4
330.27466	63.0
331.27814	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	330.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66940	0.7
55.01850	3.7
55.05492	2.6
56.05013	1.5
57.07067	1.7
58.01935	0.8
58.06593	5.4
58.06827	1.2
58.99553	1.3
61.43225	0.7
62.63802	0.8
66.45658	0.7
67.05490	0.8
69.07054	13.3
70.06571	3.8
70.56798	2.8
71.04973	3.8
72.08145	13.8
72.28745	0.9
76.07618	1.6
79.05490	1.0
81.07043	8.4
83.06064	1.8
83.08612	1.5
84.04503	3.9
84.08122	5.4
85.06522	1.7
86.09682	2.5
86.99065	1.4
87.02668	1.6
97.06531	4.6
97.10186	1.2
98.06038	5.6
98.09670	4.2
98.98450	78.0
99.08077	2.2
100.07608	8.6
100.98852	1.2
107.08537	1.0
112.11213	5.5
114.09135	2.0
115.07546	1.9
116.07088	1.0
116.99470	2.9
124.03906	1.5
125.09608	1.5
126.09126	21.8
128.10692	52.3
129.06584	4.1
129.10176	1.2
142.12248	22.8
149.05951	1.1
154.12239	31.9
156.08403	2.6
157.06856	1.5
158.11746	1.7
168.13820	5.3
170.11681	0.8
172.13300	36.3
174.09464	1.8
174.99228	2.4
175.03799	1.0
176.98883	4.5
177.05507	1.8
182.15317	1.0
185.02589	0.8
185.16429	2.2
186.14873	2.8
199.18011	10.6
200.16364	4.8
209.08150	4.9
216.20665	29.8
233.05878	2.8
302.06375	1.1
304.79709	0.9
312.26413	14.4
313.24622	1.5
328.79709	0.8
330.06076	1.8
330.27457	100.0
331.13208	5.9
331.27829	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	330.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.05031	0.6
56.59201	0.4
58.06597	2.9
69.06687	0.8
69.07056	13.6
69.74493	2.5
70.06575	1.3
71.04982	3.6
72.07768	0.5
72.08149	6.5
73.06530	1.8
79.05473	0.7
83.08596	0.4
84.04487	1.6
84.08125	2.3
96.08129	0.8
97.06511	4.7
97.40185	0.4
98.06026	1.3
98.09668	3.5
98.21412	0.9
98.98452	6.9
99.92112	0.4
100.07604	4.9
112.11220	3.4
114.09138	0.7
115.07566	5.6
126.09122	10.6
128.10696	47.6
129.11070	0.4
142.12242	5.3
148.14822	0.4
154.12245	16.2
168.13792	1.8
169.49570	0.4
171.14899	0.6
172.13301	47.3
173.13635	1.2
186.14877	3.5
193.85979	0.4
199.17986	2.0
216.20647	3.8
226.91960	0.4
243.20718	0.7
312.26385	5.0
313.24826	1.2
315.32648	0.5
330.27457	100.0
331.27737	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	330.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59335	0.8
54.57849	0.9
55.05492	4.8
57.03417	1.3
57.07066	2.4
67.05484	9.0
69.07061	2.8
70.06586	5.5
70.30209	4.3
71.04980	1.4
71.08617	1.3
72.08128	2.4
79.05475	5.3
81.07036	7.5
83.04973	2.2
83.08599	3.2
87.04456	26.6
88.07624	6.4
91.05454	3.3
93.07029	6.7
95.04914	1.1
95.08582	4.9
97.06511	2.3
97.10148	3.7
98.98445	100.0
99.08092	1.1
100.11221	1.5
100.98865	2.0
101.05982	2.2
102.09160	2.8
105.07006	2.5
107.08559	4.6
109.10132	2.1
116.99476	4.1
117.06941	1.2
119.08532	1.9
121.10118	1.7
123.08118	1.3
125.09590	2.0
131.08577	1.3
133.10069	2.0
135.11745	1.2
139.11131	2.9
140.01080	1.4
145.10101	3.2
147.11670	1.1
149.13185	1.6
151.11229	1.2
152.60765	1.1
157.10176	1.3
159.11690	1.7
174.99234	3.9
176.98898	4.5
182.52782	1.0
189.11214	3.3
195.13808	3.3
201.84457	1.0
211.78581	0.9
244.26120	1.0
268.29865	2.5
270.27841	11.8
277.21661	5.9
295.22705	1.5
330.29941	32.9
330.33670	10.0
331.22702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.9
57.07043	3.4
67.05499	19.3
69.07056	11.8
69.84481	18.5
69.84898	5.2
71.08620	9.2
74.06066	3.2
79.05466	16.7
79.88107	2.8
81.07047	23.5
83.04951	6.9
83.08609	13.0
87.04453	7.9
91.05459	8.4
93.07027	13.7
95.04951	3.9
95.08586	10.2
97.06509	3.7
97.10155	20.2
98.98447	100.0
99.08054	9.3
100.11223	7.3
105.07007	7.3
107.08563	9.8
116.99568	5.0
119.08595	8.5
121.10119	4.9
125.09610	17.1
130.04990	4.6
133.10129	3.8
135.11693	5.3
139.11163	10.0
148.05962	3.4
149.13168	4.3
151.11160	6.3
161.13420	2.7
176.98903	4.0
179.14334	3.3
189.11174	16.2
195.13741	9.7
277.21542	20.9
295.22672	5.7
330.30029	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	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05498	13.5
56.96541	2.7
57.03413	3.8
57.07061	2.5
67.05183	1.2
67.05495	12.2
69.03397	2.2
69.07060	4.6
70.06568	2.5
71.08617	6.9
71.71513	1.0
79.05473	6.1
81.07044	11.2
83.04981	1.4
83.08600	9.3
85.10110	1.0
87.04457	9.6
88.07603	6.6
91.05467	4.5
93.07039	5.9
95.04926	2.3
95.08583	4.9
97.10158	14.3
98.98450	100.0
99.08100	5.2
100.98880	1.9
101.06001	13.1
102.09137	1.6
105.06997	3.1
107.08586	5.1
107.86145	1.0
109.06506	1.0
109.10168	4.5
110.93422	0.9
116.99474	3.4
119.08582	3.1
121.10091	2.4
125.09599	10.6
131.08556	1.1
133.10110	2.2
135.11723	1.2
143.08569	1.1
145.10168	1.9
147.11583	2.4
151.11154	2.3
161.13159	2.6
170.11841	0.9
173.11673	2.9
174.99200	4.2
175.03824	1.5
175.99551	1.1
176.98898	7.3
179.14238	1.7
181.85234	1.0
189.11194	18.7
256.26425	4.8
267.09085	1.1
269.10800	2.0
270.27844	1.5
277.21567	10.9
295.22607	2.3
329.42838	1.1
330.30002	18.3
331.15466	1.6
331.18933	2.0
331.22510	1.3
349.16870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
54.96725	1.3
55.01865	2.2
55.05503	43.7
57.07062	1.4
57.95373	1.2
59.04999	1.9
67.05496	16.4
69.03411	5.2
69.07053	8.5
69.52865	13.3
71.08620	2.2
78.79952	1.2
78.92236	1.3
79.05479	12.8
81.03416	2.0
81.07054	12.3
83.04972	3.8
83.08115	1.4
83.08610	27.4
85.06551	1.7
91.05441	1.8
93.07040	8.0
95.04935	3.0
95.08580	2.2
97.10155	63.4
98.98451	29.6
101.09669	1.5
105.07010	1.7
107.08578	16.7
109.10159	4.4
111.08055	1.9
113.24437	1.3
117.06995	1.9
125.08693	2.9
125.09612	54.9
135.08003	4.0
135.11688	2.5
143.10645	3.4
151.11113	2.1
153.09082	4.1
161.13194	1.9
171.10135	6.2
174.99242	1.6
176.98950	2.1
189.11195	100.0
190.11584	2.3
193.15913	1.6
202.37526	1.3
211.16953	1.3
259.20642	3.3
277.21585	39.9
278.22104	2.7
295.22644	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	329.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
58.02949	0.9
58.06580	4.1
60.12662	0.5
69.15005	0.5
70.06580	1.1
70.95150	1.4
71.08621	16.1
72.08144	5.2
73.06528	1.1
84.08127	1.5
86.02396	1.1
91.05457	0.6
96.97132	0.5
98.98457	13.3
99.08080	25.7
103.04993	0.5
105.56519	0.5
112.11205	1.0
113.07118	1.6
115.05037	12.3
127.08668	1.2
127.39722	0.5
128.10695	3.6
139.08649	0.9
142.61057	0.5
143.08134	14.4
155.11778	8.3
156.13815	100.0
157.09680	3.5
157.14117	2.9
170.15366	3.9
172.14397	1.0
214.15439	1.6
244.24054	0.6
270.21664	0.8
311.24377	0.6
312.22903	2.0
329.06445	0.8
329.25415	79.7
330.25739	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	329.0646
Annotation	Khrinone D
Peak:m/z	Relative Intensity
53.03929	0.3
55.01875	0.1
55.05486	0.1
57.03417	0.2
58.06591	0.2
65.03931	1.1
67.01851	0.3
67.05493	0.1
68.99776	1.1
69.00128	0.1
70.06576	0.4
71.08617	0.4
72.08150	0.7
72.08957	0.1
73.08476	0.1
79.05467	0.2
80.60280	0.1
81.03402	1.4
81.07045	0.3
83.01328	0.1
84.04501	0.1
84.08125	0.2
85.02888	0.9
86.09694	0.2
89.03886	0.2
91.05450	0.2
93.03381	1.0
95.01299	0.1
95.04950	0.3
95.08569	0.4
97.02881	0.2
97.03989	0.1
97.42093	0.1
98.21457	0.1
98.98450	20.3
99.08077	0.8
100.08428	0.2
100.98875	0.2
105.03376	0.3
107.01299	0.2
107.04965	0.1
109.02859	1.2
110.03641	0.2
111.00796	0.2
111.04440	0.4
112.11217	0.1
116.99480	0.7
117.03360	0.2
117.07018	0.1
121.02845	2.8
121.10052	0.1
123.04379	0.1
124.01566	0.1
125.02329	0.3
127.03899	0.2
128.06314	0.1
128.10666	0.1
133.02820	0.5
134.03606	0.4
135.00734	0.2
135.04390	1.9
135.05344	0.1
136.05133	0.1
137.02327	3.6
137.03391	0.2
137.05917	0.3
138.03108	0.6
139.03900	0.2
140.01082	0.1
141.01823	0.2
141.06990	0.1
143.08148	0.1
147.04396	0.2
149.02316	3.6
150.02721	0.1
151.03876	0.2
152.06172	0.1
153.01807	1.2
153.06963	0.2
155.11821	0.1
156.13815	3.6
157.14177	0.9
161.02312	2.3
163.03899	0.3
165.01802	1.4
165.06982	0.1
166.02560	0.4
167.03372	8.0
168.03802	0.2
169.06430	0.1
170.02170	0.1
171.02884	0.1
171.04346	0.1
173.02359	0.1
173.16513	0.1
174.99196	1.8
175.03920	0.1
175.07539	0.2
176.98915	0.8
177.01801	2.2
179.03348	0.7
181.06470	0.5
183.02890	0.5
184.03658	0.4
187.07401	0.2
189.05371	0.1
195.02864	4.2
196.03287	0.1
197.05977	0.1
198.06615	0.1
199.07562	0.2
201.05449	0.1
203.03331	0.3
209.05902	0.2
213.05461	0.3
218.05737	0.2
225.05473	0.1
226.06210	0.2
227.06976	0.6
227.21127	0.2
228.21501	0.1
229.04948	0.3
231.06487	0.3
237.05356	0.3
241.04868	0.1
243.06523	0.6
244.07222	0.3
244.23833	0.7
245.04407	2.0
245.24129	0.9
252.99739	0.2
253.04877	0.1
254.05836	0.1
255.06456	1.9
256.06979	0.1
257.04453	0.1
258.05197	1.1
259.05710	0.1
263.05389	0.3
265.04938	0.2
269.04428	0.2
271.05951	1.9
272.06738	2.1
273.07288	0.2
282.05188	0.2
283.05966	12.3
284.06232	0.5
285.03946	0.6
285.07217	0.1
286.04657	4.4
287.05185	0.3
293.04453	0.2
299.05457	10.6
300.06226	14.5
301.06894	1.7
311.05450	8.3
312.05762	0.4
314.04279	0.1
328.25693	0.4
329.06494	100.0
329.25769	2.1
330.06830	4.1
344.22406	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	329.0646
Annotation	dithiogliotoxin
Peak:m/z	Relative Intensity
53.03929	0.3
55.01875	0.1
55.05486	0.1
57.03417	0.2
58.06591	0.2
65.03931	1.1
67.01851	0.3
67.05493	0.1
68.99776	1.1
69.00128	0.1
70.06576	0.4
71.08617	0.4
72.08150	0.7
72.08957	0.1
73.08476	0.1
79.05467	0.2
80.60280	0.1
81.03402	1.4
81.07045	0.3
83.01328	0.1
84.04501	0.1
84.08125	0.2
85.02888	0.9
86.09694	0.2
89.03886	0.2
91.05450	0.2
93.03381	1.0
95.01299	0.1
95.04950	0.3
95.08569	0.4
97.02881	0.2
97.03989	0.1
97.42093	0.1
98.21457	0.1
98.98450	20.3
99.08077	0.8
100.08428	0.2
100.98875	0.2
105.03376	0.3
107.01299	0.2
107.04965	0.1
109.02859	1.2
110.03641	0.2
111.00796	0.2
111.04440	0.4
112.11217	0.1
116.99480	0.7
117.03360	0.2
117.07018	0.1
121.02845	2.8
121.10052	0.1
123.04379	0.1
124.01566	0.1
125.02329	0.3
127.03899	0.2
128.06314	0.1
128.10666	0.1
133.02820	0.5
134.03606	0.4
135.00734	0.2
135.04390	1.9
135.05344	0.1
136.05133	0.1
137.02327	3.6
137.03391	0.2
137.05917	0.3
138.03108	0.6
139.03900	0.2
140.01082	0.1
141.01823	0.2
141.06990	0.1
143.08148	0.1
147.04396	0.2
149.02316	3.6
150.02721	0.1
151.03876	0.2
152.06172	0.1
153.01807	1.2
153.06963	0.2
155.11821	0.1
156.13815	3.6
157.14177	0.9
161.02312	2.3
163.03899	0.3
165.01802	1.4
165.06982	0.1
166.02560	0.4
167.03372	8.0
168.03802	0.2
169.06430	0.1
170.02170	0.1
171.02884	0.1
171.04346	0.1
173.02359	0.1
173.16513	0.1
174.99196	1.8
175.03920	0.1
175.07539	0.2
176.98915	0.8
177.01801	2.2
179.03348	0.7
181.06470	0.5
183.02890	0.5
184.03658	0.4
187.07401	0.2
189.05371	0.1
195.02864	4.2
196.03287	0.1
197.05977	0.1
198.06615	0.1
199.07562	0.2
201.05449	0.1
203.03331	0.3
209.05902	0.2
213.05461	0.3
218.05737	0.2
225.05473	0.1
226.06210	0.2
227.06976	0.6
227.21127	0.2
228.21501	0.1
229.04948	0.3
231.06487	0.3
237.05356	0.3
241.04868	0.1
243.06523	0.6
244.07222	0.3
244.23833	0.7
245.04407	2.0
245.24129	0.9
252.99739	0.2
253.04877	0.1
254.05836	0.1
255.06456	1.9
256.06979	0.1
257.04453	0.1
258.05197	1.1
259.05710	0.1
263.05389	0.3
265.04938	0.2
269.04428	0.2
271.05951	1.9
272.06738	2.1
273.07288	0.2
282.05188	0.2
283.05966	12.3
284.06232	0.5
285.03946	0.6
285.07217	0.1
286.04657	4.4
287.05185	0.3
293.04453	0.2
299.05457	10.6
300.06226	14.5
301.06894	1.7
311.05450	8.3
312.05762	0.4
314.04279	0.1
328.25693	0.4
329.06494	100.0
329.25769	2.1
330.06830	4.1
344.22406	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	328.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	8.8
58.06599	2.1
70.72895	1.7
71.08612	8.4
71.08970	0.3
72.08134	4.1
84.08126	1.5
85.06528	7.1
86.09673	4.1
92.67118	0.5
98.98454	6.6
99.08073	13.3
112.11235	2.3
114.09142	2.1
128.10690	2.0
142.12245	40.0
143.12541	0.6
155.15385	0.8
156.13809	79.1
157.14151	1.9
170.15369	3.5
174.99255	0.5
213.19600	0.9
227.21140	1.1
310.28455	1.8
311.26910	1.3
328.29517	100.0
329.29825	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	328.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
55.45316	0.3
57.07065	4.6
57.58116	0.3
58.06587	3.2
65.89146	0.3
69.55458	1.6
69.55889	1.3
70.06605	0.4
71.08247	0.6
71.08620	9.7
71.79754	0.3
72.08142	5.1
78.01701	0.3
84.08134	1.9
85.06528	4.6
86.09685	2.5
98.98454	14.6
99.08076	18.0
102.09193	0.6
112.11229	2.5
114.09098	1.4
128.10693	2.0
129.13858	0.3
137.05867	0.3
141.13759	0.4
142.12250	20.3
155.15381	1.0
156.13811	100.0
157.14212	2.0
170.15359	1.6
173.16541	0.7
174.99196	1.3
193.35469	0.3
213.19577	1.3
227.21155	1.0
230.22319	0.9
310.28452	1.5
311.26923	1.5
311.65219	0.3
328.29523	96.5
329.29892	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36666	0.6
55.05496	1.7
58.06592	1.2
67.05481	0.6
69.03429	0.6
70.06590	5.0
71.04607	1.1
71.04980	12.1
71.68806	1.1
72.08145	9.2
73.06543	2.4
81.07016	0.6
84.04472	1.0
84.08141	2.1
86.09695	7.8
90.26481	0.6
95.08578	0.7
98.98454	100.0
100.07597	9.9
107.01288	1.7
108.01607	1.2
110.07163	0.7
111.22960	0.5
112.11210	1.4
113.05976	4.7
116.07083	7.3
116.99514	3.6
120.08109	1.0
128.10699	41.3
129.11029	0.9
142.07324	1.1
142.08611	1.1
142.12257	2.3
146.06770	0.7
164.89877	0.7
170.11743	29.9
174.99194	6.9
176.98900	3.3
184.13335	3.6
185.16489	3.8
197.05988	2.0
198.06296	5.1
199.17892	0.9
200.16429	1.0
213.16019	1.6
216.07230	0.6
223.02150	0.6
225.05464	2.7
226.05751	15.2
227.06157	1.2
229.04608	0.9
230.05234	1.4
243.06371	1.1
244.06888	2.3
252.99660	0.6
253.04855	1.7
254.05269	8.1
258.04721	1.7
270.04901	1.1
271.05872	2.3
272.06332	20.5
273.06534	1.3
282.04764	7.7
283.05161	0.8
285.03619	1.2
286.04227	0.7
299.05392	3.7
300.05807	49.9
301.06039	4.4
310.24860	1.3
311.23233	1.1
328.05283	47.8
328.25909	65.4
329.05600	5.7
329.26172	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01851	0.2
55.05499	0.3
57.03418	0.3
58.06590	0.9
65.03932	1.0
67.01849	0.3
67.05482	0.1
68.99767	0.8
70.06584	0.6
71.08620	2.4
71.09639	0.3
72.08141	5.8
73.06538	0.3
77.03923	0.1
81.03398	1.6
81.07040	0.4
83.01369	0.2
84.04486	0.1
84.08135	0.7
85.02896	1.0
86.09692	0.3
91.05450	0.2
93.03397	1.1
93.07005	0.2
95.04939	0.5
95.08587	0.3
98.06021	0.2
98.98450	24.2
99.04449	0.2
99.08080	4.4
100.08391	0.2
105.03381	0.5
107.01315	0.2
109.02852	1.4
110.03644	0.1
111.04430	0.3
112.11232	1.0
114.05484	0.4
116.99489	0.8
117.03349	0.3
121.02848	2.4
123.04382	0.2
125.02279	0.2
125.07092	0.2
128.10701	0.6
129.13882	0.3
133.02843	0.6
134.03635	0.3
135.04388	1.8
136.07587	0.2
137.02319	3.6
137.03354	0.3
137.05962	0.4
138.03130	0.5
139.03908	0.1
141.01772	0.2
142.08571	0.7
147.04407	0.2
149.02324	3.4
149.03419	0.3
153.01794	1.2
153.06966	0.2
155.11647	0.1
156.13812	22.8
157.14146	0.6
161.02328	2.0
163.03879	0.3
165.01782	1.2
166.02623	0.4
167.03372	7.8
170.15334	0.8
173.05794	0.2
173.16473	0.9
174.99199	2.4
176.98898	1.0
177.01787	2.2
179.03328	0.5
181.06497	0.5
183.02875	0.6
184.03638	0.4
189.05394	0.2
195.02858	3.8
195.04517	0.3
199.07399	0.2
209.06029	0.3
218.05699	0.2
226.05930	0.3
227.06934	0.7
227.21156	3.0
229.04927	0.5
231.06453	0.3
237.05376	0.3
243.06401	0.8
244.07196	0.4
244.23802	11.9
245.04420	1.9
245.24117	0.8
252.99788	0.3
253.93681	0.1
254.05621	0.2
255.06512	1.6
258.05270	1.1
265.04993	0.3
269.04291	0.2
271.05942	1.9
272.06705	2.1
282.05038	0.4
283.05963	11.2
284.06256	0.2
285.03864	0.5
286.04684	3.9
293.04346	0.2
299.05457	10.8
300.06207	15.1
301.07083	0.9
311.01807	0.2
311.05447	7.7
328.05472	1.4
328.25897	11.0
329.06497	100.0
329.25693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
55.05236	2.2
55.05502	44.0
57.74046	1.1
62.11346	1.2
67.05499	12.6
69.03407	5.2
69.07053	11.0
70.22068	3.7
79.05482	25.1
81.07044	14.3
81.90367	1.4
83.04961	5.3
83.08607	26.8
91.05453	9.6
93.07021	8.3
93.08308	1.1
95.04953	1.5
95.08577	6.0
97.10154	56.2
98.98450	100.0
101.09624	1.2
105.07003	12.1
107.08576	63.4
109.06486	2.2
109.10119	2.5
111.08038	2.2
116.99487	2.6
117.06998	2.6
119.08572	4.8
121.10161	2.1
124.99229	1.2
125.08689	2.4
125.09612	49.7
131.08534	2.7
133.10129	6.5
135.08034	4.8
135.11661	2.5
143.10689	2.6
145.10089	4.4
147.11658	4.4
149.09605	3.5
153.09076	2.8
159.11652	2.5
159.63974	1.4
171.10130	5.0
171.11572	1.5
173.11673	1.8
173.13205	2.1
174.99178	6.3
176.98897	2.9
181.12213	2.2
189.11195	71.8
190.11563	2.0
239.17870	2.0
257.18887	6.3
275.20032	46.3
276.20303	1.5
293.21069	2.5
324.87540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
61.02920	0.5
69.03420	0.6
70.06573	0.7
71.04987	3.9
71.68902	0.6
72.08171	0.5
74.09712	0.4
77.01585	0.5
85.02901	2.2
89.06018	22.9
92.03506	0.5
97.02872	0.7
98.98453	100.0
99.04435	2.1
100.98891	0.5
105.10164	0.4
108.39396	0.3
109.02884	0.5
109.07710	0.5
113.05996	0.6
113.88966	0.4
116.99480	3.6
117.05476	1.2
131.07010	3.0
145.05013	0.6
149.08073	13.1
157.46591	0.4
159.26515	0.4
174.99197	9.4
175.00587	0.7
175.99619	0.5
176.98878	2.8
193.65121	0.4
197.03154	0.4
198.06241	0.9
225.05496	0.7
226.05772	1.9
237.18854	0.4
244.06682	0.5
251.00090	0.8
252.99863	0.9
254.05270	1.3
272.06335	2.7
282.04913	1.0
299.05588	0.6
300.05740	6.4
301.05692	0.4
328.05252	6.4
328.08640	0.6
329.05994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.8
55.05500	6.1
60.21506	1.3
67.05504	8.6
69.07059	4.4
69.92130	6.1
69.92546	2.9
71.08622	5.8
71.33134	1.4
79.05476	4.1
81.07049	8.0
81.90310	1.6
83.04974	2.7
83.08617	3.7
91.05479	5.5
93.07031	8.3
95.04929	2.3
95.08585	4.0
97.06520	2.6
97.10162	2.0
98.82975	1.4
98.98456	100.0
99.08089	6.9
105.07011	3.9
107.08593	4.1
109.10120	3.8
111.08068	5.7
113.09629	1.7
116.99474	2.3
119.08564	3.4
121.10159	3.2
133.10095	4.1
135.11652	3.1
140.01073	1.5
147.11688	2.8
149.13243	2.7
151.11092	3.4
153.00378	3.4
155.01859	8.1
160.83055	1.5
163.11172	2.1
165.12776	4.4
171.01384	34.4
172.01393	4.3
174.99225	10.7
179.14310	1.8
237.09700	2.8
238.09947	1.8
249.34244	1.7
259.20670	3.0
277.21600	15.0
295.21780	11.3
304.18393	3.3
309.23941	2.4
327.18045	30.4
328.18271	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	327.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30159	3.3
53.03932	7.9
55.05495	16.1
57.07063	9.8
60.09602	3.3
67.05493	40.1
69.07068	19.1
70.03586	9.4
70.03983	7.9
72.12748	3.3
77.03927	3.3
79.05472	27.8
81.03396	5.5
81.07045	33.8
83.08589	6.8
85.06554	4.9
91.05459	55.5
93.07030	96.0
95.04952	100.0
95.08593	65.4
96.05239	3.6
97.06507	21.4
98.98454	66.1
103.05461	6.9
105.07010	66.2
107.08569	49.9
109.06502	19.7
109.10128	28.1
115.05437	6.1
117.06967	25.9
119.08548	77.2
121.06486	15.9
121.10133	35.2
123.08023	19.5
123.11687	10.1
128.06180	6.8
129.06961	9.7
130.07793	7.1
131.08533	33.0
133.06361	4.0
133.10107	55.8
135.08043	10.6
135.11668	17.9
136.43787	3.3
137.09557	7.8
141.06935	4.4
142.07767	12.7
143.08566	18.8
144.09274	7.5
145.10083	49.5
147.08061	5.7
147.11661	19.1
149.09602	7.0
153.06944	4.1
155.08519	11.4
156.09329	10.4
157.10077	38.8
158.10820	5.2
159.08006	5.1
159.11671	40.8
161.09601	16.9
161.13237	8.5
163.11116	3.7
169.10100	14.3
170.10834	6.6
170.53130	3.9
171.11674	13.3
173.09584	5.4
173.13217	17.3
174.99158	7.1
175.14804	24.0
179.08539	8.4
181.10033	8.1
182.10844	6.2
183.11676	12.6
184.12430	4.0
185.13242	17.7
187.11188	8.5
187.14786	20.7
189.16386	5.0
193.10048	6.4
194.10678	3.6
195.11719	6.5
197.13213	14.4
199.14813	15.4
201.16302	7.2
205.15901	4.0
207.11674	5.7
209.13210	8.2
209.56720	4.0
211.14813	10.5
215.14299	4.8
217.15837	4.1
220.12395	4.4
221.13310	5.1
225.16467	4.5
235.14763	7.3
265.19290	5.2
291.20908	6.5
309.22104	9.5
327.07706	9.6
327.23022	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05500	14.2
57.07061	6.5
65.03928	4.2
67.05497	30.0
69.07056	12.6
70.13251	5.8
70.13649	9.5
71.04957	3.0
79.05477	21.1
81.03410	4.4
81.07048	32.0
83.08601	8.5
91.05475	36.0
93.07034	60.7
95.04956	73.6
95.08599	50.8
97.06517	18.4
98.21351	4.2
98.97807	5.6
98.98450	100.0
103.05422	3.1
105.07024	60.2
107.08566	35.2
109.06505	8.9
109.10131	22.6
115.05491	4.4
117.06985	15.4
119.08559	60.9
121.06468	14.2
121.10124	27.6
123.08064	9.9
123.11652	6.9
128.06212	5.2
129.06964	8.0
130.07787	6.5
131.08530	27.5
133.10107	38.2
135.08063	13.8
135.11681	11.3
137.09644	5.6
141.07024	5.1
142.07788	8.2
143.08540	14.3
144.09322	7.9
145.10086	30.0
147.11673	11.3
149.09607	4.6
149.13217	3.8
155.08585	5.1
156.09332	5.8
157.10101	33.2
158.10957	4.1
159.08089	3.9
159.11685	40.4
161.09599	13.3
161.13242	6.0
167.08563	3.4
168.09427	3.1
168.28387	2.9
169.10094	10.1
170.10768	3.9
171.11694	14.2
173.09636	5.4
173.13242	11.4
174.99242	9.3
175.11221	4.4
175.14780	20.1
181.10083	3.5
183.11670	11.8
184.12483	4.6
185.13217	9.5
187.11182	8.7
187.14792	15.9
187.80203	3.4
193.10155	5.0
194.10905	5.2
195.11595	6.6
197.13211	9.3
199.14828	10.4
201.16386	4.4
209.13235	8.6
211.14754	7.8
213.16200	3.2
217.15804	5.2
223.14893	5.8
225.16289	4.3
235.14832	4.4
239.18082	3.6
291.21002	3.1
295.22665	4.1
309.21997	8.1
327.23123	18.2
332.52475	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	327.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01855	1.4
55.05500	3.2
56.62514	0.4
57.07057	1.1
58.83118	0.4
59.04989	1.9
65.03928	1.0
67.05489	7.2
68.99786	1.0
69.03419	10.2
69.07063	6.6
70.06571	1.3
71.00996	1.3
71.04980	1.2
79.05489	4.1
80.28956	0.4
81.03392	1.0
81.07041	10.1
83.04965	8.4
83.08618	2.4
85.02863	0.8
85.06547	2.3
87.00826	2.8
87.04450	1.2
91.05450	4.3
92.79823	0.5
93.03396	0.8
93.07029	22.7
95.04957	3.6
95.08590	13.6
97.06516	3.8
98.98450	100.0
99.08074	1.9
101.06000	1.8
103.05437	0.8
105.06985	2.5
107.04938	1.6
107.08591	5.7
109.06497	3.4
109.10150	3.3
111.04421	1.0
111.08066	8.7
113.06017	0.7
115.03931	0.9
115.05437	0.6
115.07513	0.5
116.99489	2.4
117.07027	1.0
119.08573	2.1
121.06490	7.6
121.10131	5.4
123.04362	0.6
123.08085	1.6
123.11665	0.8
125.05959	1.2
127.07510	0.9
128.25465	0.5
129.05453	4.4
129.09129	3.6
131.04973	0.6
131.08527	1.2
133.06512	1.1
133.10112	3.3
135.08049	1.3
135.11681	7.2
137.05940	2.9
137.09586	1.7
139.03941	1.3
139.07529	10.9
143.07024	2.2
144.09319	0.7
147.08061	1.0
149.05969	4.3
149.09547	1.1
149.13261	2.8
151.03865	0.5
151.07721	0.4
151.11150	7.7
157.08615	2.7
159.11696	4.4
163.07520	1.4
163.11183	1.2
167.07037	1.8
169.06502	0.6
174.99194	12.3
177.12721	8.3
177.14148	0.7
185.08092	0.7
195.13777	17.7
196.14050	0.8
197.06061	1.1
205.12291	2.5
207.08081	0.7
219.61813	0.5
223.13277	6.0
225.05431	2.1
234.06923	0.6
235.07635	0.5
241.14311	28.1
242.14609	1.1
243.06554	0.7
249.09145	0.6
251.00023	1.9
253.04945	1.8
258.41904	0.5
267.10098	0.8
271.05954	3.8
281.04477	1.7
283.09851	0.5
283.15726	0.5
284.03128	0.7
295.09650	1.7
299.05450	9.8
300.05902	1.0
309.13306	15.9
321.83176	0.5
327.04929	9.6
327.14517	13.2
327.28308	0.7
328.05157	0.7
328.15073	0.9
329.31387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	2.7
55.02069	0.8
56.96553	6.9
57.03431	5.1
57.10067	0.6
57.12638	0.5
60.10176	0.5
60.95818	1.0
61.02884	1.9
69.03416	2.9
70.02940	7.9
70.34521	2.7
70.98077	2.1
71.01299	1.5
73.02876	2.2
73.03275	0.5
81.66428	0.6
82.99821	1.4
84.08072	0.8
84.95981	0.7
85.02905	3.6
86.09664	0.8
86.99313	1.0
97.02852	2.3
98.97557	7.1
98.98422	38.4
101.00857	8.4
102.96815	0.7
103.03947	1.0
110.97517	0.8
113.00860	5.4
113.03461	1.2
114.95518	1.7
115.02387	1.8
115.03891	1.3
116.98615	6.3
116.99424	1.4
119.01903	31.9
120.01965	1.0
120.97842	0.7
127.00658	0.6
128.98587	0.8
131.01891	27.7
131.02888	1.5
132.01956	0.7
132.96574	5.0
133.03416	1.9
133.04909	1.6
134.99600	2.6
136.03842	0.6
137.02917	6.7
139.02414	0.6
140.01025	0.9
143.01891	4.4
145.03363	1.7
146.98085	1.6
146.99614	0.9
149.02960	3.5
150.97635	2.8
153.01437	1.0
154.03499	0.8
155.01884	8.7
156.96594	1.2
157.03470	9.8
158.98125	4.6
159.01315	0.7
161.00174	0.8
161.02933	13.1
164.99184	0.9
166.94679	0.7
167.01880	2.0
170.02873	0.7
171.02490	21.6
172.94339	1.2
173.02913	21.7
174.03091	1.5
174.97610	12.1
174.99173	3.9
175.04507	5.4
175.97711	0.9
176.99159	4.6
177.00790	1.1
177.02444	0.8
179.04388	1.1
182.02983	2.0
183.49852	0.6
184.04442	0.7
185.02939	13.8
188.99170	9.4
189.03543	100.0
190.03735	4.7
190.95358	1.3
191.00728	1.8
191.03964	3.9
192.98688	14.4
194.04028	1.2
195.00600	1.0
195.02394	6.0
196.04434	1.4
196.99307	0.7
200.04022	1.7
201.02457	0.8
203.03896	1.3
207.00244	14.3
207.02463	5.8
208.00359	1.6
208.02455	0.6
208.04533	1.1
208.96326	1.2
209.04160	0.6
212.05234	2.8
213.03534	58.3
214.03680	3.2
214.95358	1.0
215.03864	4.7
216.00287	0.9
216.98596	5.3
217.02000	1.4
219.00203	2.1
219.02010	1.5
224.03395	1.0
225.01329	0.9
225.03516	25.7
226.03824	1.4
227.05180	5.2
231.04591	43.8
232.04842	3.0
232.96413	6.0
233.05043	17.3
234.99721	8.5
236.00017	0.8
236.05107	2.4
236.99776	0.7
237.03485	5.3
243.04645	8.5
244.98105	1.3
248.05109	1.3
249.03462	1.6
250.97412	3.9
254.06024	0.6
255.04567	11.4
256.06747	1.2
256.98257	1.2
258.99731	1.0
260.97083	0.7
260.99777	1.5
261.03104	0.6
262.99277	0.7
266.99911	0.7
267.04593	4.3
271.05997	1.7
274.99286	6.9
275.02319	0.9
275.99438	0.6
278.06598	0.9
284.97662	3.2
284.99869	0.9
285.00421	1.4
285.05737	2.2
293.00256	3.7
299.05405	3.4
302.98361	8.3
303.01688	1.1
303.06546	3.8
303.98688	0.9
310.08868	1.0
320.99677	6.9
327.06738	48.0
328.06909	3.0
344.99936	2.3
345.07825	5.1
345.13257	0.8
346.04678	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	327.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05490	0.7
56.96559	2.2
57.03418	0.8
58.99851	0.7
61.02914	0.7
65.03934	1.9
67.05494	2.4
69.03406	0.4
69.80804	0.3
70.06575	1.3
70.29872	1.5
72.08138	0.5
77.00909	0.5
77.01559	0.5
81.03394	0.6
83.04967	2.2
84.08126	1.3
85.01404	0.3
85.02883	0.4
87.04476	0.3
88.99117	0.3
91.05457	0.9
93.03392	1.9
95.04951	1.3
97.02892	0.4
98.98447	100.0
101.00867	3.3
103.02428	3.0
107.01300	0.9
107.03435	0.6
110.07111	0.6
111.04417	1.7
116.98600	1.0
116.99480	3.0
119.01896	34.4
119.04915	0.8
120.01991	0.8
121.02784	4.0
121.03506	1.1
121.06495	0.4
125.04474	2.3
126.14422	0.3
127.08680	0.4
129.04016	0.4
129.10190	0.5
131.01863	1.0
133.03403	1.1
134.99649	0.7
137.02933	18.3
137.05937	0.8
139.02351	0.6
139.03877	0.6
141.03923	0.6
142.03479	1.2
143.05455	0.4
145.03482	2.3
146.99619	0.6
147.01385	1.8
147.04356	0.8
149.02919	0.5
151.06001	0.5
153.01843	0.5
153.03955	3.4
156.97310	0.4
157.03416	1.2
159.04994	1.3
160.04572	0.6
161.02942	0.5
163.04370	0.4
165.00673	0.4
165.02406	1.6
167.01866	0.6
169.03496	1.9
171.01271	0.5
171.03593	0.5
171.04996	7.3
174.99191	11.3
177.00720	0.6
177.03683	0.4
179.01842	2.5
179.05530	0.8
181.03442	0.3
185.03015	0.6
187.04431	1.0
189.02328	3.8
190.98520	0.6
195.04944	3.1
197.01151	0.6
197.02930	8.2
197.06393	3.8
207.03421	3.3
207.05167	0.4
211.04416	0.7
213.06036	1.4
215.01988	0.4
215.04001	6.2
215.07320	0.6
216.04008	0.4
217.05501	0.5
221.02904	3.5
223.04411	1.5
224.04794	0.5
225.05428	7.3
229.05208	0.8
233.05025	0.5
239.03952	1.9
241.05533	1.6
243.06444	0.9
249.02440	1.4
250.97577	0.5
250.99962	1.8
253.04900	3.9
257.04962	4.0
267.03378	1.1
269.04651	0.4
271.05963	10.1
281.04404	3.6
284.02979	0.6
285.04550	1.8
299.05444	26.0
300.05624	1.0
308.06534	0.4
327.05106	29.9
328.05365	1.0
345.06863	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	327.0493
Annotation	Tephrosol
Peak:m/z	Relative Intensity
61.55285	0.1
61.66440	0.1
68.99771	0.2
69.65296	0.7
69.65719	0.2
79.01839	0.2
81.03388	0.2
84.14450	0.1
91.05455	0.3
98.98454	5.7
105.03374	0.2
107.01298	4.1
107.16992	0.1
109.02766	0.1
115.05443	0.6
116.99440	0.2
117.03344	0.2
121.02813	0.1
129.03381	0.3
133.02803	0.3
137.02332	0.3
141.06970	1.5
145.02809	0.2
145.06483	0.3
153.01814	1.3
155.04863	0.5
159.08025	0.1
161.02367	0.1
163.03859	0.3
164.04649	0.2
168.05774	0.1
169.06465	2.8
171.04434	0.2
173.05934	0.4
174.99232	0.7
175.64920	0.1
179.03340	0.3
179.04898	1.0
181.06439	0.1
183.04439	0.4
187.03877	0.2
187.07550	0.4
191.03384	0.3
195.04364	0.1
197.05942	14.5
198.06351	0.3
200.04652	0.3
201.05426	0.6
207.04370	0.8
209.05922	0.2
209.75117	0.1
211.03856	0.9
215.06982	1.6
219.02808	0.9
223.02319	0.5
224.04666	0.8
225.05426	33.9
226.05817	0.9
227.03389	0.3
228.04158	1.1
229.04929	2.7
231.02856	0.2
235.03851	0.5
237.05449	0.2
241.04703	0.2
242.05737	0.8
243.06505	6.5
244.03688	0.2
244.06978	0.2
245.04443	0.5
251.03362	0.2
252.04132	0.6
253.04924	17.4
254.05415	0.6
255.02811	0.4
256.03616	1.2
257.04413	3.7
260.03177	0.5
263.01843	0.5
269.04367	1.9
270.05231	1.1
271.05966	40.7
272.06296	1.2
273.03842	0.6
281.04404	14.2
282.04773	0.9
284.03098	2.7
285.03867	1.3
297.03909	0.7
298.04630	1.0
299.05444	100.0
300.05783	3.3
309.03976	0.6
327.04932	86.2
328.05276	3.1
328.09106	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	326.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01866	1.0
55.05493	1.3
56.05024	0.6
57.03425	0.9
57.07064	0.4
60.04512	0.4
60.08150	0.7
66.56567	0.4
67.05491	1.4
68.05011	1.2
69.03413	2.2
69.07043	1.5
69.70094	0.4
70.03753	0.6
70.06583	2.1
71.04999	0.9
71.69949	0.6
72.08138	1.1
79.05471	2.6
80.05006	1.0
81.03417	2.4
81.07044	1.8
82.03752	0.8
83.08640	0.4
84.04484	4.4
84.08145	1.0
85.02895	7.0
86.09697	1.4
91.05467	3.9
93.05787	0.5
93.07027	4.1
94.06551	0.7
95.04965	0.9
95.06084	0.7
95.08582	0.6
96.08134	0.6
97.02905	0.7
97.06524	0.5
98.98451	100.0
99.02660	0.6
99.04465	0.6
102.05533	1.0
103.05448	4.2
105.07009	1.1
107.01311	2.1
107.08546	2.0
108.08105	14.7
108.60383	0.4
108.61222	0.4
109.06506	0.5
109.08886	0.6
109.10080	0.6
110.09657	1.3
114.05520	1.2
115.05453	0.5
116.99479	4.8
119.04950	2.4
120.08076	0.7
121.02850	1.3
121.06479	0.5
122.09646	7.6
123.04395	1.0
123.10427	1.5
127.03247	1.7
129.06958	0.7
130.04042	0.4
131.03401	0.7
131.04921	4.9
133.02824	1.4
133.06445	0.9
133.10149	0.7
135.04366	0.6
135.11670	3.2
136.07507	0.6
136.11221	2.5
137.05949	5.5
140.01027	0.9
141.06978	0.6
147.04391	4.4
147.09151	0.8
148.09483	0.8
148.11217	0.4
149.05960	5.2
150.06705	1.3
150.12756	17.7
151.07542	0.4
151.13525	5.8
152.07011	0.6
152.14337	5.8
155.04962	0.5
159.04407	0.4
161.05960	1.9
161.10710	0.5
162.06741	2.3
163.03880	1.1
164.04784	0.5
165.05534	0.7
169.06436	0.8
173.05826	0.6
173.07146	0.9
173.69833	0.4
174.07552	0.7
174.99196	12.1
176.09021	0.7
177.05423	2.4
178.15897	0.6
179.04832	0.5
182.06366	0.5
185.05974	1.2
187.07471	0.5
190.15852	1.0
191.08125	5.3
192.08495	9.4
197.05968	7.0
201.05333	0.5
203.06985	0.7
203.08644	0.5
208.13274	1.2
210.07637	0.9
215.07062	1.1
219.07861	0.6
223.08971	2.4
225.05435	15.0
228.12189	0.9
229.04924	1.3
231.07932	0.6
235.07520	0.6
236.16380	1.4
238.10593	0.7
242.05730	0.6
243.06586	3.0
249.09175	0.9
250.99959	1.5
252.12274	1.0
253.04906	9.3
256.03665	0.5
257.04382	1.4
264.16077	0.8
269.04398	0.9
270.05124	0.9
271.05966	21.0
277.08636	1.1
280.15433	0.6
281.04410	6.6
282.16940	73.5
283.17300	1.8
284.02975	1.2
284.18536	2.2
285.03943	0.7
295.09613	0.9
297.03995	0.6
297.11093	0.9
298.04605	1.1
299.05453	53.6
308.13098	3.8
309.11145	1.8
321.42972	0.5
326.14374	2.3
326.19565	44.6
327.04932	50.2
327.11801	1.3
327.19824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01872	13.8
55.05502	28.2
57.03415	10.2
65.03942	3.0
65.45437	2.3
67.05493	67.2
69.03416	5.8
69.07059	27.2
69.46102	26.7
71.04981	8.9
72.64425	2.4
79.05479	37.4
81.03411	11.7
81.07045	61.0
83.04974	16.7
83.08588	10.7
85.06528	4.5
91.05467	33.6
93.07027	36.2
93.21578	2.3
95.04957	16.4
95.08590	34.4
97.06511	100.0
97.10144	12.8
98.06834	3.8
99.08052	3.7
105.07010	39.8
107.04928	9.9
107.08572	38.2
109.06520	12.3
109.10133	44.4
111.04427	4.4
111.08055	11.7
113.05988	5.4
117.07013	9.5
119.08585	24.2
121.06466	8.8
121.10149	14.6
123.04430	2.9
123.08037	11.6
123.11672	7.7
125.09604	10.1
129.06941	5.3
131.08554	13.2
133.06494	4.2
133.10109	38.2
135.08084	6.4
135.11673	9.5
136.85771	2.5
137.05984	2.6
137.09648	6.6
139.11214	3.7
142.07814	3.2
143.08528	4.7
145.06468	3.1
145.10121	14.0
147.07983	2.6
147.11668	8.6
147.67549	2.4
149.09607	9.9
149.13237	5.7
149.81065	2.2
151.11176	19.8
153.42860	2.2
157.10117	5.1
159.08003	4.7
159.11633	10.5
161.09641	3.5
161.13293	2.9
163.11113	6.4
169.10040	6.4
169.12250	5.1
171.11639	4.7
173.11737	3.1
173.13176	4.7
175.11139	3.6
177.12656	4.3
183.11693	3.6
187.11165	5.8
197.13422	3.3
201.12660	2.9
202.60332	2.6
203.12627	2.9
215.14461	2.5
221.11575	3.4
233.15527	3.4
239.17889	8.1
241.14388	3.4
247.20576	4.1
257.18967	8.1
261.18460	5.3
271.16949	6.0
275.20029	45.0
276.20303	3.6
283.70038	2.3
289.17941	21.3
289.21140	5.1
293.20953	7.3
307.18979	10.9
307.22635	6.4
322.46915	2.3
325.20221	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	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	9.0
55.01855	14.7
55.05505	70.5
57.03424	3.7
57.07063	5.2
67.05495	60.2
69.03406	12.8
69.07064	21.7
69.53453	3.4
71.04977	4.5
71.08620	30.2
71.66119	5.5
79.05485	44.7
81.03409	25.9
81.07054	49.3
83.04969	19.7
83.08180	3.4
83.08614	40.0
85.06524	8.2
91.05478	37.6
93.07035	51.9
95.04961	82.9
95.08600	31.1
97.06504	14.5
97.10152	33.5
99.08090	26.2
105.07022	41.7
107.04931	6.3
107.08567	38.6
109.06493	14.3
109.10146	27.0
110.39745	3.5
111.04403	13.1
111.08050	12.1
117.06997	13.7
119.08573	40.9
121.06487	11.8
121.10112	23.5
121.17339	3.3
123.08032	7.5
123.11684	5.3
125.05993	4.2
125.09614	29.0
128.06210	5.0
129.06973	10.8
131.08592	15.7
133.10135	21.2
135.08057	18.5
135.08897	3.8
135.11664	14.6
137.09567	5.2
139.11142	8.3
142.07780	9.5
143.08534	15.0
145.10107	31.0
147.08066	11.7
147.11684	8.9
149.09592	16.8
149.13268	4.9
151.11194	3.8
153.12726	5.3
155.08513	8.4
155.10623	4.8
157.10086	32.9
158.10982	3.9
159.08044	3.2
159.11703	25.3
161.09705	7.8
161.13203	4.8
163.11165	46.5
165.12733	9.4
169.10101	10.8
171.11707	16.1
173.09604	8.4
173.13235	6.3
175.11143	5.6
177.12730	9.5
179.08574	6.8
180.09283	3.8
181.10127	8.0
182.10721	4.2
183.11665	11.4
185.09651	4.1
185.11623	4.7
185.13164	4.4
187.11179	10.3
187.14751	8.6
189.11156	7.7
191.10719	3.9
193.10150	7.6
193.12215	20.5
195.08174	3.3
195.10025	3.6
195.11714	8.8
195.13780	17.0
196.12413	5.1
197.13239	7.7
199.11174	6.0
201.12761	3.7
207.11671	7.1
208.12489	6.5
209.13251	11.7
211.14821	6.5
221.13246	4.7
223.12991	6.7
223.14810	10.8
225.12683	6.5
225.16327	5.8
241.15967	4.2
247.14734	3.9
247.20544	6.7
249.16464	7.7
251.14421	3.7
257.19025	5.5
265.21759	4.4
267.17435	4.8
269.15546	7.1
275.20056	36.1
279.21060	5.2
293.21085	100.0
294.21536	4.6
307.17249	3.7
307.20026	8.0
307.22861	9.9
325.21301	53.0
332.21158	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	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85187	2.0
52.35369	2.0
52.58500	2.0
53.03926	6.2
55.01865	15.4
55.05503	38.8
57.03414	6.0
57.07057	11.7
65.03899	2.6
67.05490	63.4
69.03409	6.5
69.07058	37.5
69.47085	3.9
69.47494	20.1
71.04980	4.0
71.08614	5.7
79.05030	2.8
79.05482	34.9
81.03407	6.9
81.07043	67.6
83.04971	15.1
83.08602	21.6
85.02884	2.6
85.06520	7.8
85.10162	6.8
91.05464	23.3
93.07026	42.8
95.04961	17.7
95.08578	43.4
97.02882	4.1
97.06509	9.8
97.10155	11.1
99.04464	3.0
99.08049	3.9
105.00527	2.5
105.07008	29.6
107.04922	11.6
107.07919	2.8
107.08584	37.4
109.06514	10.9
109.10154	26.7
111.04430	6.7
111.08071	12.0
113.09605	8.5
117.07010	7.4
119.08560	17.8
121.06484	9.9
121.10120	18.2
123.08020	8.9
123.11670	8.4
124.06105	2.2
125.09640	15.1
131.08556	16.6
133.06485	4.2
133.10106	43.1
135.08009	3.8
135.11667	16.0
137.09584	10.8
139.07524	2.6
141.09074	4.1
145.10101	12.5
147.08009	3.4
147.11679	9.6
149.09587	9.6
149.13156	2.8
151.11160	31.6
153.09065	2.5
153.12743	5.8
159.11697	6.8
161.09692	2.9
161.13213	2.8
163.11172	17.5
163.14706	3.2
165.12726	4.6
167.10599	4.7
171.11728	3.2
173.09616	2.7
173.13199	6.2
177.12698	8.2
179.10696	4.3
181.12192	11.1
183.13768	7.9
191.14281	2.3
195.13802	4.5
201.12778	3.3
207.13672	3.3
219.13747	3.9
223.13153	4.2
229.19524	5.6
247.20578	12.3
257.18970	11.1
265.21579	9.5
275.20041	62.7
293.21057	100.0
294.21515	3.4
307.22690	16.9
325.23642	14.4
325.27399	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	325.2366
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.01860	1.6
55.05502	11.8
59.69082	0.6
67.05505	6.0
69.03394	0.8
69.06740	0.6
69.07055	6.9
71.08618	13.5
72.54629	0.6
79.05479	5.4
81.07041	6.6
83.04972	1.5
83.08596	6.7
91.05444	2.1
93.07054	4.2
95.04940	3.4
95.08575	2.5
97.06525	1.0
97.10156	10.1
98.20690	2.1
99.08080	7.5
101.63443	0.7
105.07008	2.0
107.04934	2.9
107.08581	4.8
108.05739	0.9
109.06478	1.8
109.10108	1.2
117.06984	0.7
119.08539	0.8
121.06480	4.9
125.09612	8.1
131.08501	0.8
135.08023	2.7
135.11638	0.9
137.09618	0.7
145.10056	0.9
147.07976	0.8
147.11586	0.7
149.13289	0.8
151.11116	1.3
153.09064	1.8
161.09436	0.8
164.11932	1.4
165.12677	1.5
167.10585	0.7
177.12718	3.0
187.11241	0.8
195.13832	0.9
203.12737	3.2
229.46158	0.8
237.14899	1.0
257.18951	1.0
275.20035	5.1
293.21060	100.0
294.21536	5.2
307.22638	17.2
307.26169	0.9
340.47519	0.7
347.82379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03933	8.2
55.01855	19.4
55.05505	64.2
57.03426	7.8
57.07058	9.4
67.05492	86.8
69.03412	6.2
69.07055	51.5
69.46146	6.4
69.46548	29.5
69.93127	3.9
71.04984	7.1
71.08616	9.8
79.05476	46.7
81.03408	8.1
81.07041	82.9
83.04977	18.2
83.08608	30.5
85.02921	5.9
85.06519	10.1
85.10164	7.0
91.05465	44.4
93.07032	62.4
95.04964	26.6
95.08581	49.1
97.06519	13.1
97.10172	14.5
99.04420	3.5
99.08071	8.4
105.07010	50.3
107.04961	12.9
107.08575	62.2
107.09258	5.7
109.06518	12.9
109.10139	50.3
111.04418	7.2
111.08072	13.1
113.09615	6.9
117.07001	10.7
119.08597	21.3
121.06462	19.3
121.10126	24.2
123.08052	10.9
123.11708	13.8
125.09589	12.1
131.07698	3.9
131.08533	22.9
133.06543	3.9
133.10107	58.9
135.11670	24.2
137.09615	11.0
139.07512	4.6
141.09077	6.3
143.08504	5.7
145.10088	25.6
147.07982	4.4
147.11679	9.9
149.09593	13.6
149.13225	5.5
151.11153	67.2
153.12726	5.4
157.10124	5.0
159.11711	13.4
159.84836	3.5
161.09665	4.7
161.13161	4.4
163.11154	20.5
165.12836	4.6
167.10683	5.5
169.12286	6.4
173.09549	3.8
173.13329	7.6
177.12766	8.9
179.10670	11.2
181.12190	13.0
183.12308	3.1
183.13725	22.1
191.10594	3.9
191.14284	5.6
195.13737	7.6
206.56422	3.5
209.11769	3.4
211.13235	3.9
219.13881	5.3
229.14333	4.2
229.19499	6.1
237.14911	4.2
240.75133	4.3
247.20502	24.7
257.19009	15.4
265.21637	21.2
275.20020	88.0
276.20230	4.9
278.15836	4.0
280.58212	3.2
293.21060	100.0
307.22556	33.8
325.23834	15.3
325.27225	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	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.5
55.01865	19.2
55.05505	59.7
57.03423	8.8
57.07059	7.8
65.03928	5.5
67.05492	91.0
69.03437	4.0
69.07064	61.0
71.04974	10.7
72.43758	3.0
76.49435	3.5
78.97935	3.2
79.05479	60.1
81.03397	9.2
81.07043	87.0
83.04973	24.0
83.08602	47.2
85.02892	4.3
85.06536	12.4
91.05470	52.6
93.07030	71.3
95.04955	46.9
95.08593	67.8
97.02856	4.8
97.06511	27.4
97.10147	17.7
99.04447	3.8
99.08060	5.0
105.07007	42.8
107.04947	10.8
107.08588	69.0
109.06532	17.0
109.10133	38.7
111.04415	19.6
111.08060	21.5
111.11694	3.7
113.06004	5.2
117.07007	14.5
119.08580	35.6
121.06493	10.3
121.10137	27.5
123.08029	11.4
123.11680	11.3
125.09611	20.9
129.06981	6.3
131.08562	26.0
133.10107	34.1
135.08064	11.6
135.11671	37.8
137.09595	15.0
139.11159	6.6
141.06966	5.7
143.08580	6.0
145.10118	37.8
147.08060	4.4
147.11674	17.2
148.29068	3.3
149.09590	33.6
149.13243	3.8
151.11177	13.5
153.09123	5.2
153.12706	11.2
157.10129	6.1
159.11646	19.5
161.09596	4.1
161.13208	6.4
163.11163	29.7
165.12769	6.4
167.10701	4.6
169.10095	5.8
171.11678	6.1
173.13260	10.3
173.63942	3.5
177.12688	7.8
181.12196	6.6
183.11630	4.4
189.11119	5.9
191.10756	4.8
191.14302	8.0
205.12253	5.3
223.13283	21.9
229.19533	9.7
237.14879	5.4
239.17892	7.1
247.20541	9.3
257.18814	18.3
265.21689	8.6
273.40445	3.7
275.20023	100.0
276.20547	6.0
293.17755	5.1
293.21051	77.6
307.22534	18.6
325.23727	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	325.2367
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03919	4.8
55.01857	22.2
55.05501	25.8
57.03423	15.7
67.05496	59.7
67.58827	4.5
68.79652	4.0
69.07064	36.4
71.04975	10.4
71.08629	9.7
71.20219	12.6
79.05479	38.5
81.03429	6.6
81.06603	8.3
81.07045	100.0
83.04979	7.3
83.08614	14.4
85.06531	6.0
91.05459	37.8
92.05083	3.8
93.07043	34.0
95.04949	30.4
95.08595	50.6
97.06516	28.6
97.10152	8.3
99.08083	15.8
105.07004	35.7
107.04933	9.7
107.08556	27.8
109.06473	22.5
109.10149	15.6
111.08081	5.9
115.05400	6.7
117.07024	11.1
119.08581	22.7
121.06455	6.6
121.10134	14.3
123.08039	24.8
123.11681	8.3
125.09639	6.5
131.08562	11.1
133.10120	22.3
135.11664	13.2
137.09599	10.8
145.10118	16.5
147.11664	20.4
149.09636	9.0
149.13243	13.0
151.11194	9.5
155.08589	4.7
157.10150	4.4
159.11678	14.7
160.13921	4.6
161.13159	4.9
163.11189	11.9
163.81874	4.4
165.12790	7.1
167.14265	5.4
169.26677	4.5
173.13293	8.3
177.12770	15.2
183.11609	5.0
189.28244	4.4
193.09723	4.1
209.36217	4.2
223.96793	4.5
239.17892	8.6
247.20656	8.0
251.16380	6.0
257.19061	12.8
275.20035	72.8
276.20453	6.0
290.64450	4.2
293.21109	29.3
307.22665	19.2
328.02545	4.5
333.09760	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	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	28.1
55.05493	37.5
63.71394	12.4
67.05495	80.4
68.94948	9.3
69.03432	11.7
69.07047	50.8
79.05489	48.0
81.07042	100.0
83.04987	18.3
83.08611	15.3
91.05469	40.9
92.57052	10.8
93.07030	58.2
95.04965	15.2
95.08578	67.3
97.06524	27.7
105.07024	44.9
107.08553	47.8
109.10155	22.7
116.66326	10.6
117.06973	24.8
119.08559	36.0
121.10133	33.7
123.08037	10.6
123.11703	12.2
131.08543	16.1
133.10110	36.7
135.08040	13.6
135.11685	24.4
137.09605	13.3
145.10127	26.3
147.11664	31.4
149.09601	24.2
159.11688	15.5
163.11234	13.4
165.12833	11.7
169.10007	11.2
204.39667	11.2
223.13383	12.4
229.45265	13.7
247.20636	10.9
257.19016	17.4
263.20044	30.8
275.20010	80.5
293.21042	30.6
307.22763	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	325.2367
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.68103	5.8
53.32437	5.0
55.01844	15.5
55.05499	28.4
56.78048	4.1
57.03428	7.0
67.05494	57.5
67.62154	5.0
69.03402	8.9
69.07059	37.1
70.82603	16.0
71.04968	6.9
79.05486	39.4
81.03417	6.2
81.07041	100.0
83.04953	11.3
83.08582	19.6
91.05467	37.0
93.07028	36.6
95.04945	15.3
95.08583	45.7
97.06503	21.5
99.08084	4.5
104.66737	4.5
105.07011	36.9
107.04942	6.7
107.08578	29.9
108.71657	5.3
109.06525	11.8
109.10122	21.1
111.04404	4.9
111.08052	8.5
117.06980	10.2
119.08549	27.9
121.10109	22.8
123.08041	6.8
123.11681	12.8
125.09618	5.2
128.75945	4.7
129.07039	4.6
131.08540	8.6
133.10115	22.5
135.08076	9.8
135.11673	18.4
137.09563	7.2
145.10071	17.7
147.11690	29.1
149.09583	10.9
149.13190	8.0
151.11110	8.7
157.10011	5.1
159.11578	5.2
163.11142	15.0
165.12741	8.8
168.61798	3.9
171.11621	4.1
175.14671	4.3
191.10704	5.0
223.13228	8.3
247.20628	6.0
257.18970	9.2
263.20053	20.4
275.20026	66.4
276.20319	6.2
293.20999	18.0
307.22668	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	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86584	3.7
53.03933	8.1
55.01864	12.0
55.05496	41.8
57.07030	4.7
62.33971	3.3
65.03922	5.5
67.05498	69.1
69.07058	49.6
71.04975	8.3
71.08617	4.1
79.05472	34.0
81.03407	7.8
81.07042	100.0
83.04968	16.6
83.08602	25.4
83.09045	5.4
85.06562	6.4
91.05480	33.7
93.07047	45.6
95.04954	38.6
95.08591	56.9
97.06506	19.1
97.10115	5.9
98.21480	7.4
99.08097	6.6
102.23391	3.7
105.07007	38.6
107.04936	14.4
107.08586	34.4
109.06512	13.8
109.10155	28.6
111.04428	12.1
111.08057	10.3
117.07050	9.0
119.08559	23.5
121.06494	7.9
121.10118	29.0
123.08056	18.1
123.11739	14.8
125.09621	9.3
129.06979	6.3
131.08553	9.5
133.10109	19.7
135.08038	9.9
135.11670	17.1
137.09573	7.0
143.08534	4.4
145.10136	15.2
146.93823	4.3
147.11664	25.1
149.09628	15.1
149.13258	7.9
151.11086	5.4
159.11688	17.8
161.13176	8.0
163.11143	21.1
165.12718	8.4
173.13257	8.3
177.12764	11.9
187.11191	5.6
189.11122	5.5
191.14333	4.3
201.12776	4.9
205.12248	4.8
207.13789	6.3
221.15337	5.0
223.13271	12.8
239.17854	5.8
247.20610	7.7
247.24913	4.5
257.18958	9.5
275.20023	91.5
276.20355	4.5
293.21063	39.4
307.22614	42.1
322.29269	4.2
325.17810	4.7
325.23639	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	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03932	4.4
55.01864	9.7
55.05502	17.9
57.03425	11.0
57.07061	2.2
58.05626	1.7
67.05499	49.0
69.03416	5.4
69.07056	19.8
70.91386	4.5
71.04996	10.2
72.59217	1.7
79.05482	39.3
81.03402	7.0
81.07046	66.1
83.04969	9.4
83.08588	4.4
85.06561	8.9
88.58530	1.8
91.05468	34.5
93.07034	30.7
93.07584	3.0
95.04952	23.1
95.08598	24.6
97.06524	100.0
97.10163	4.7
98.06830	2.1
99.04476	3.0
99.08083	3.9
105.07023	31.3
107.04970	4.6
107.08587	23.2
109.06506	37.2
109.10140	31.8
111.04430	4.0
111.08061	13.3
113.05989	13.1
115.07549	1.9
117.07008	7.4
119.08572	14.3
121.06493	9.1
121.10148	13.1
123.04424	2.7
123.08059	8.9
123.11693	5.5
125.09663	2.4
129.06993	5.3
131.08524	11.9
133.06488	4.6
133.10107	34.5
135.08107	8.2
135.11667	5.9
137.05989	3.7
137.09581	3.8
139.11186	3.4
139.36400	2.0
141.06973	4.3
141.09000	2.8
142.07756	3.0
143.08562	7.4
145.06479	2.0
145.10130	8.6
147.08049	1.9
147.11682	3.4
149.09544	9.6
151.11180	14.1
153.07031	2.1
153.09090	2.5
155.08553	3.1
156.09203	2.1
157.10120	7.8
159.08002	3.7
159.11687	7.3
161.09631	5.2
161.13211	1.8
163.07332	1.7
163.11198	2.2
165.07008	2.0
165.09076	1.8
165.12770	2.4
167.08572	2.8
167.10637	2.5
169.10133	4.9
169.12146	2.8
171.08139	1.9
171.11739	3.6
173.09593	3.9
173.11780	2.3
173.13271	5.1
175.11208	2.5
177.09178	2.6
177.12785	2.9
179.08562	2.2
179.10687	2.7
181.10114	4.6
183.10204	2.1
183.11670	4.4
185.09610	4.4
185.13213	2.0
187.11108	2.0
189.12833	2.1
193.10083	2.8
194.10939	1.9
195.11601	3.2
195.13684	1.7
197.13264	3.8
201.12718	3.0
203.10736	2.8
207.11716	1.8
208.12524	2.9
209.13184	3.7
211.14879	2.4
215.14421	2.2
221.11621	4.3
223.14766	2.4
227.14313	2.3
233.15440	4.4
233.19031	3.3
243.17406	4.0
251.14357	3.1
261.18539	6.4
265.49930	1.9
271.16806	4.7
275.19971	3.4
289.17844	23.8
292.06946	1.7
293.21045	3.8
307.18845	11.1
325.21484	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	325.2003
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.54275	4.1
53.03938	10.1
55.01861	43.0
55.05500	43.2
57.03431	32.1
57.22188	3.9
65.03916	9.3
67.05495	91.0
69.03417	5.3
69.07060	31.5
70.21866	22.4
71.04977	8.8
75.81826	3.9
79.05483	76.8
81.03385	13.8
81.07047	92.6
83.04964	42.3
83.08613	16.5
91.05473	86.7
91.58125	4.9
93.07031	64.8
95.04958	89.8
95.08591	48.2
96.05733	5.0
97.02872	10.0
97.06510	10.6
97.10132	9.9
98.07281	9.6
105.07002	54.1
107.04941	100.0
107.08573	32.2
108.05746	7.2
109.06505	57.7
109.10139	23.3
110.07300	6.0
111.04389	7.8
111.08073	5.5
112.05229	15.8
113.06018	5.9
115.05450	10.4
117.06997	37.3
119.08578	41.5
121.06480	22.7
121.10145	11.6
122.07284	40.8
123.04415	9.1
123.08016	11.8
123.11687	6.5
125.09599	6.4
128.06224	11.3
129.06990	22.5
131.08563	39.3
131.61604	4.7
133.06493	29.5
133.10123	14.8
135.08031	20.8
135.11693	7.3
137.09583	33.9
141.07053	7.7
143.08560	13.8
145.06444	26.5
145.10109	16.0
147.08023	36.4
149.09708	5.7
151.07568	9.0
155.08545	8.8
157.10118	5.8
159.11687	8.8
161.09572	29.9
163.11127	13.9
165.09093	14.0
169.10103	6.2
171.11646	9.2
173.13269	18.1
175.11169	11.6
177.12776	7.8
187.11163	6.0
187.14807	11.0
197.13184	7.0
205.15866	16.6
215.14282	12.8
233.15317	87.8
245.25807	5.3
251.16441	17.2
273.18497	8.4
281.86584	4.6
290.18658	14.6
312.62216	4.9
319.14392	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	325.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	24.6
53.04142	4.1
55.01867	24.9
55.05504	43.4
57.03416	14.9
57.07043	5.0
59.04979	5.1
67.05491	97.3
69.03405	9.0
69.07056	29.2
70.67966	5.5
70.68293	9.5
71.04980	34.5
72.83894	4.1
79.05476	69.7
81.03404	54.4
81.06606	6.5
81.07043	81.7
82.15732	4.4
83.04507	7.7
83.04963	100.0
83.08584	17.2
85.06526	10.7
86.66473	4.0
91.05463	57.0
93.07030	59.2
95.04948	46.9
95.08585	46.3
97.06538	24.8
97.10116	10.5
99.04426	5.5
103.05508	5.8
105.06996	55.6
107.04945	31.2
107.08573	37.4
109.06474	21.6
109.10129	12.6
111.04431	10.1
111.08061	9.3
114.23457	3.9
115.05456	6.1
117.07008	23.6
119.08588	30.8
121.06478	27.4
121.10102	14.4
123.04433	7.1
123.08046	20.1
123.11694	5.4
125.05959	11.1
125.09580	6.9
129.07010	12.9
131.04898	4.5
131.08543	28.8
133.06454	13.1
133.10100	27.1
135.08015	18.1
135.11682	23.2
137.09608	4.6
141.06938	7.6
143.08522	16.9
145.06465	18.0
145.10110	22.7
147.08000	9.6
147.11652	16.4
149.05869	4.6
149.09630	9.7
149.13214	13.2
151.11249	4.4
155.08505	7.3
157.10106	13.1
159.08031	19.1
159.11676	26.3
161.09605	10.8
161.13196	6.4
163.07492	12.2
163.11156	16.3
167.08447	8.5
169.10049	13.4
171.11665	12.8
173.09657	7.9
173.13266	8.9
175.11208	6.0
177.12677	7.1
180.64061	4.5
181.10010	8.3
183.10091	10.8
183.11638	7.0
185.09578	12.1
185.13226	6.0
187.11183	8.3
187.14714	4.4
189.12741	8.3
197.13011	5.3
219.13652	7.0
229.22028	4.9
233.13252	5.9
233.15346	18.5
237.14752	7.4
243.17430	7.4
261.18497	19.5
269.10364	4.6
271.16898	22.0
275.20056	6.2
289.17871	73.9
293.20950	9.2
307.19223	20.3
325.11111	5.2
325.21423	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1429
Annotation	Eryvarin C
Peak:m/z	Relative Intensity
55.01848	1.9
55.05499	2.4
57.03410	1.1
58.23820	1.0
65.03912	1.0
65.56866	0.9
67.05490	5.6
69.07036	3.1
69.47326	8.6
69.47733	1.3
70.06570	1.7
71.04969	1.6
71.08613	1.0
78.98227	0.9
79.05485	6.6
81.03378	2.9
81.07039	8.8
83.04967	1.8
83.08592	1.8
85.02878	2.3
85.06500	1.4
86.13834	1.0
89.03903	1.1
91.05463	12.3
93.07010	3.5
94.04128	2.6
95.04932	2.5
95.08579	6.9
97.02879	1.6
97.06492	1.1
103.05437	10.3
105.07048	5.8
107.04921	3.8
107.08538	3.9
107.37472	0.9
109.02857	1.2
109.06494	1.6
109.10129	3.0
112.54475	0.9
115.05440	9.4
117.03403	1.5
117.07007	7.4
119.08550	8.7
121.02814	2.7
121.06524	1.2
121.10104	2.5
122.03664	6.2
123.11683	1.4
128.06210	4.9
129.06985	8.8
131.04913	17.6
131.08514	1.4
132.05711	5.8
133.06445	1.7
133.10065	1.9
135.04353	3.5
135.07979	1.1
135.11670	2.2
137.05957	89.0
138.06255	1.7
141.06973	14.1
145.02818	1.6
145.06433	4.1
145.10059	1.6
146.03658	1.3
147.04391	1.5
147.08018	23.8
147.11600	1.6
149.05966	1.3
151.07492	2.1
157.06438	3.5
159.07971	1.8
160.05190	5.9
161.05927	6.7
163.03883	15.1
163.07516	16.8
165.06903	1.1
169.05107	1.5
169.06467	24.7
171.11694	1.2
175.07526	100.0
176.07793	3.1
186.06766	2.5
187.07449	3.2
189.09065	8.7
193.08594	2.0
194.07266	1.1
201.05351	1.7
201.09076	12.9
205.06400	3.8
205.10130	1.7
218.07155	1.2
219.08092	1.5
222.06664	3.2
223.07146	1.0
233.05881	1.4
233.09650	5.3
234.06589	1.1
237.09100	2.6
250.06201	1.6
250.09753	1.1
253.08626	1.5
261.08936	3.6
264.07837	1.8
265.08517	3.2
265.12302	2.6
267.06534	1.2
277.08646	1.1
279.10165	1.2
282.08914	1.0
292.07376	1.7
293.07962	5.4
293.11533	5.6
295.09714	1.5
297.11230	1.6
307.09366	3.9
310.11914	1.5
311.05331	1.1
325.06973	2.3
325.10593	9.3
325.14215	58.8
325.23322	1.9
326.10989	2.0
326.14578	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	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01862	2.6
55.05504	0.4
57.03432	2.1
59.04993	0.4
61.02902	1.1
62.62854	0.4
69.03422	15.0
69.07061	0.4
70.98222	1.0
71.01325	1.0
71.04981	4.4
73.02898	0.9
76.65399	0.3
81.03407	16.3
84.08145	0.4
87.04448	0.5
87.23083	0.3
91.05468	1.2
99.04441	6.1
116.04940	0.6
117.05509	1.8
118.06534	5.4
133.67725	0.4
136.58080	0.3
145.07596	7.3
147.08043	0.6
147.09163	8.0
149.28354	0.3
159.09283	0.4
162.07860	1.3
163.08617	1.4
173.07086	11.6
174.07420	0.4
175.08646	6.4
187.08669	0.4
190.07404	0.4
191.08128	100.0
192.08444	2.9
199.08514	0.4
205.09627	0.7
215.11807	0.7
231.11244	0.7
233.09265	1.2
269.04398	0.4
271.10718	0.5
289.11780	2.0
297.03986	0.5
307.12839	30.6
308.13095	1.4
325.03357	1.5
325.07172	1.0
325.13892	19.8
326.03607	0.4
326.14270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28711	1.3
53.03931	5.4
55.01853	4.2
55.05495	4.8
57.03418	3.2
57.07072	1.6
65.03916	2.1
67.05486	6.8
69.03417	9.6
69.07050	3.2
69.48226	14.1
70.06594	1.8
71.04984	5.0
73.02889	1.5
79.05478	8.0
81.03407	15.1
81.07033	16.2
81.22796	1.5
83.04980	3.4
84.08141	1.8
85.02898	10.0
85.06519	2.4
89.03907	6.2
91.05460	29.6
93.07029	29.6
94.07874	1.4
95.04956	8.2
95.08582	8.3
97.02887	3.1
98.97622	1.5
101.72282	1.3
103.05436	1.6
105.04511	1.5
105.07014	23.6
107.04963	5.1
107.08579	22.2
109.02866	6.6
109.05839	1.5
109.06470	7.8
109.10134	6.0
111.04450	1.6
111.08063	2.5
117.03382	8.3
117.06982	2.0
119.04929	15.6
119.08568	11.9
121.02865	2.6
121.06468	12.9
121.10140	6.0
123.08041	14.8
123.11712	2.2
125.89906	1.4
126.29314	1.3
127.03902	2.1
129.06992	3.4
131.08575	4.7
133.02829	2.0
133.06497	5.1
133.10107	48.7
135.04398	20.2
135.08090	2.1
135.11650	6.4
136.08853	1.9
137.05988	7.7
137.09641	4.3
138.10394	5.9
142.07782	4.0
144.09291	1.5
145.02823	11.1
145.06519	4.0
145.10056	3.1
147.04387	28.6
147.07991	1.6
147.11659	11.6
151.04018	1.2
151.07520	1.7
151.11110	2.2
157.10124	18.7
159.11642	6.9
160.08835	6.2
161.05992	4.2
161.09586	30.4
163.03879	100.0
164.04208	2.0
165.05472	18.0
175.07576	2.1
175.11154	67.2
176.11490	1.7
177.12711	2.3
179.10648	34.4
181.04970	2.7
185.09636	1.8
188.08342	2.3
191.22592	1.4
193.10469	1.3
193.12256	3.4
203.10619	21.7
221.11708	24.6
237.02609	1.5
279.06400	1.4
293.07996	2.5
297.04001	2.8
307.08124	11.1
325.03528	2.4
325.06992	5.1
325.10574	4.6
326.06619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
56.96559	2.1
57.03426	9.0
69.03417	4.7
71.01325	2.6
71.67961	2.4
71.68308	3.6
72.08169	1.9
73.02911	3.3
79.51294	2.1
84.05638	2.5
84.08152	1.9
85.02901	8.8
85.89336	1.7
96.05589	6.2
97.02863	3.2
98.03528	8.2
106.04032	2.3
109.05123	3.7
110.03502	2.5
112.05042	2.2
121.02793	2.4
121.05101	15.4
123.06667	4.5
124.05076	1.9
125.04608	4.5
125.06942	11.5
126.05360	14.0
127.06158	5.4
133.05013	7.2
136.06186	27.2
137.04514	3.0
138.07690	5.1
140.04633	2.1
148.06177	29.9
149.04588	5.9
150.07744	5.1
151.06137	10.2
151.07187	1.7
152.05716	2.4
153.06419	18.9
154.07210	3.0
160.06174	2.5
165.08810	15.8
166.07269	11.6
167.05649	2.3
175.07318	4.0
176.05655	18.4
177.08804	2.9
178.07248	2.5
193.08311	100.0
231.02873	2.4
234.59607	1.8
289.10443	2.2
297.13046	5.2
307.11310	3.1
325.12576	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1953
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03933	0.6
54.57808	0.2
57.27000	0.3
67.05482	0.4
70.89027	0.9
77.03909	0.3
79.05480	19.2
80.05808	0.4
81.07006	0.5
91.05467	0.6
93.07034	1.4
95.04946	0.9
101.64420	0.3
103.05451	37.0
104.05750	0.9
105.07017	2.6
107.04938	19.4
107.08537	0.4
118.06527	6.3
121.06484	1.4
130.06511	0.3
131.04910	11.0
131.05890	0.6
131.74664	0.3
132.08070	2.5
133.08830	1.2
133.09854	0.3
134.09618	0.3
146.09621	1.8
149.05942	0.9
160.11237	0.7
176.14320	45.5
177.14636	0.8
183.11742	0.3
189.15155	0.5
190.08740	0.4
233.14014	0.5
280.13260	0.4
324.19531	100.0
325.19858	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	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.5
55.05500	8.6
57.03432	20.1
59.04980	4.2
61.02915	3.1
67.05479	9.2
69.03409	7.0
69.07042	6.6
70.06587	3.7
71.01334	8.1
71.04610	3.7
71.04979	42.6
71.08615	3.7
71.37499	3.5
71.37825	3.8
73.02895	7.1
79.05474	9.9
81.03387	8.5
81.07041	17.5
81.46460	2.4
82.07374	3.2
83.01347	4.5
83.04959	5.3
83.08587	6.1
85.02892	4.4
87.04467	11.9
89.02355	6.7
91.05470	7.3
93.07023	10.2
95.04976	5.6
95.08583	11.1
97.02934	2.5
97.06521	7.4
99.08070	5.7
101.02367	15.1
103.03949	5.0
105.03384	3.1
105.07001	6.1
107.04918	4.3
107.08561	8.4
109.10138	4.2
112.16309	2.3
114.69645	3.0
115.03912	35.0
117.06992	3.9
117.90199	2.5
119.08559	3.4
121.02805	3.2
121.06510	3.3
121.10146	4.9
127.03936	2.8
129.01810	20.1
131.08519	2.8
133.04956	5.4
133.06424	3.3
135.04327	2.6
135.07979	4.4
137.05972	2.4
137.09648	3.6
139.11169	17.6
143.03384	34.3
145.06372	3.0
151.07501	3.0
153.05487	2.9
157.01300	36.1
159.02879	3.2
159.10202	3.3
161.04442	25.3
161.05775	4.9
163.03865	9.0
167.10674	3.5
171.02870	5.2
173.04475	2.6
175.02364	6.7
175.07475	5.0
182.20520	2.5
189.03931	100.0
190.04231	2.4
193.08521	2.6
195.10173	3.9
195.35910	2.9
205.06450	2.6
207.05013	18.9
221.06012	2.8
222.06795	2.4
229.12277	3.2
232.08496	3.8
233.06017	2.4
253.10704	26.2
264.10959	2.6
265.08438	4.3
271.11722	33.3
272.11945	3.0
277.08261	3.2
289.12698	17.5
292.07312	2.9
292.10535	6.7
293.08200	3.2
307.09778	3.7
324.13150	6.6
324.26413	4.0
325.10617	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79108	1.6
53.03921	5.5
55.01863	12.1
55.05504	37.9
57.03438	8.7
57.07063	2.5
59.04971	3.1
65.03926	3.3
67.05493	64.9
68.16821	1.9
69.03410	7.9
69.06732	2.3
69.07064	24.0
70.00797	11.3
71.04974	4.1
73.06538	1.8
77.03910	2.4
79.05483	51.5
81.03392	2.8
81.07043	78.5
82.13205	1.8
83.01324	6.4
83.04972	22.3
83.08604	11.6
85.02890	3.2
85.06529	8.3
91.04922	3.8
91.05464	54.8
91.24460	1.7
93.06432	3.7
93.07028	66.9
95.04959	17.3
95.08003	2.8
95.08590	38.5
97.02863	2.4
97.06517	13.4
97.10165	8.7
99.08092	3.7
105.06328	3.4
105.07015	50.0
107.04935	17.3
107.08575	43.1
109.02851	2.4
109.06511	14.8
109.10139	41.3
111.04435	11.2
111.08061	14.5
115.05432	2.1
117.06992	10.7
119.04906	2.4
119.08564	25.4
121.06490	19.2
121.10126	18.6
123.04398	6.7
123.08025	9.6
123.11673	10.0
125.05958	4.6
125.09612	4.0
128.06197	4.0
129.06984	9.9
131.08549	18.8
133.06476	15.3
133.10110	67.1
135.08040	9.8
135.11667	9.6
137.05992	9.2
137.09546	5.7
139.07536	11.7
139.11174	3.1
143.08542	7.5
145.06509	3.0
145.10106	10.1
147.08038	14.3
147.11661	9.3
149.09569	10.5
149.13266	1.7
151.07585	2.8
151.11159	60.0
152.11552	2.8
153.09081	2.0
155.08505	2.1
156.09259	1.7
157.10097	5.2
159.08075	4.6
159.11673	7.0
161.09581	13.9
161.13243	3.8
163.11145	5.0
165.09152	3.5
165.12712	3.1
167.10640	3.5
171.11639	9.7
173.09676	1.7
173.13240	4.2
175.11127	10.1
177.09090	6.7
177.12682	3.5
179.10703	11.7
181.08525	4.2
183.13789	19.1
185.13245	3.8
189.12784	8.8
195.11664	2.3
199.11140	4.9
203.14319	3.8
207.13753	7.4
217.12152	5.5
217.19582	2.1
219.13824	2.1
223.13182	2.7
223.74779	2.4
227.17943	3.2
229.14250	2.7
235.13179	1.8
235.16844	1.8
245.18997	16.0
255.17455	5.5
263.20016	25.6
273.18457	48.7
274.18793	3.5
291.19501	100.0
292.19839	5.6
305.21106	6.6
323.22141	40.7
324.22409	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	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.6
55.01852	21.0
55.05503	41.4
56.54322	3.5
57.03411	8.7
57.07051	4.8
67.05489	71.7
69.03416	4.6
69.07053	32.7
70.00146	18.4
71.04976	4.4
72.81657	2.9
79.05482	55.3
81.03402	9.5
81.07040	100.0
83.01337	4.8
83.04952	26.6
83.08609	16.8
85.06523	8.6
86.86643	3.0
91.05462	66.1
93.07023	70.0
95.04951	17.5
95.08589	35.4
97.06512	10.9
97.10152	7.1
105.07013	58.2
107.04936	12.8
107.08571	55.7
109.06481	13.0
109.10129	52.1
111.04451	6.7
111.08054	13.6
117.06986	10.5
119.08558	24.2
121.06507	16.3
121.10152	15.4
123.04414	4.7
123.08070	8.7
123.11720	13.3
125.06044	4.2
129.06973	9.1
131.08540	21.6
133.06465	13.9
133.10106	95.3
134.10435	3.8
135.07994	7.2
135.11655	8.4
137.05936	4.4
137.09612	7.9
139.07513	10.9
143.08530	8.5
145.10109	15.3
147.07994	12.7
147.11652	10.0
149.09608	14.8
151.11147	79.3
152.11395	5.5
157.10085	8.0
159.11642	7.1
161.09589	13.1
161.13170	5.1
162.11151	3.8
163.11201	8.9
171.11633	10.3
175.11127	6.0
177.09096	10.1
177.12608	4.4
179.10645	10.2
181.12129	3.9
183.13759	26.0
189.12607	8.9
191.14337	3.2
193.12268	6.6
197.03735	3.5
199.11139	5.1
207.13661	4.0
227.17929	5.4
245.18980	21.1
255.17490	6.0
257.20004	3.7
263.19940	18.0
273.18436	45.0
274.18805	4.2
291.19501	78.7
305.21048	12.4
323.22174	47.6
323.25873	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46501	0.9
53.03938	1.2
55.01866	5.2
55.05506	25.8
57.03424	1.6
65.03938	1.1
67.05499	16.1
69.03415	3.5
69.07063	14.2
69.91315	1.9
69.91734	4.1
79.05487	17.1
81.03399	3.6
81.07043	15.3
82.07350	1.1
83.04973	3.4
83.08603	12.2
91.05453	9.8
93.07032	12.8
95.01263	1.2
95.04964	6.5
95.08584	8.3
97.02883	2.9
97.06493	2.7
97.10159	23.5
105.07024	8.5
107.04945	3.0
107.08588	15.2
109.02876	1.5
109.06499	1.7
109.10145	3.4
110.76019	1.1
111.08067	1.9
111.22616	0.9
117.06987	5.2
119.04961	1.8
119.08548	6.6
121.06479	2.5
121.10107	3.8
123.08060	6.9
125.09611	21.6
129.06992	2.6
130.07787	1.4
131.08531	5.8
133.06471	2.1
133.10110	2.5
133.68279	1.0
135.08037	7.3
135.11693	1.6
137.09641	2.3
139.27884	1.0
143.08556	2.6
145.10109	4.1
147.08012	4.7
147.11688	1.8
149.09540	1.4
153.09099	3.4
157.12215	1.9
159.11610	1.4
161.09659	1.6
162.10306	1.0
163.11133	1.3
164.43491	1.0
165.09038	2.9
167.08542	1.1
175.11157	2.6
189.11212	1.2
189.12773	1.7
203.12782	10.1
205.12323	1.1
220.54495	1.0
223.13237	10.3
237.14861	1.4
245.19014	1.8
249.14891	1.3
255.17491	1.7
263.19861	1.3
273.18509	9.2
291.19501	100.0
292.19827	8.5
305.21094	27.0
306.21347	2.1
323.22110	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	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.6
55.05476	2.9
57.03427	28.3
65.03936	2.5
67.05500	22.6
69.07045	2.6
70.01527	7.8
70.01946	2.9
71.04980	2.7
79.05482	13.0
81.07053	13.2
83.04982	2.5
85.06535	26.1
89.46937	1.7
89.97272	1.8
91.05473	9.4
91.84409	1.7
93.07021	11.1
95.04952	32.2
95.08607	6.1
98.20746	1.7
105.07001	8.0
107.04924	3.2
107.08598	8.9
109.06496	30.9
109.10111	2.3
111.04426	5.3
113.05988	100.0
114.06366	1.8
117.06998	3.6
119.08562	5.7
121.10150	4.2
129.07004	2.6
131.08577	5.0
135.08040	21.9
135.11670	3.4
143.08525	3.8
145.10083	5.3
147.07976	1.8
149.09601	4.3
153.12640	1.7
155.29248	1.9
157.10054	3.7
159.08008	1.7
159.11636	2.9
161.09560	3.9
161.13008	1.8
163.11229	3.5
171.11731	2.0
174.20746	2.4
199.14749	2.2
217.15817	9.4
273.18427	15.0
291.19519	42.7
292.19836	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33046	3.9
53.03933	8.1
55.01857	11.5
55.05508	22.4
57.03425	26.2
57.07052	4.7
65.03931	6.4
67.05493	55.9
69.03398	5.7
69.07045	11.7
71.04967	7.0
71.67036	7.5
79.05471	46.1
81.03405	11.4
81.07043	100.0
83.04958	16.7
83.08603	6.3
85.06528	27.3
91.05461	29.6
93.07030	35.2
94.07317	4.6
95.04945	39.4
95.08593	24.2
97.06543	12.9
97.10169	6.0
103.05539	4.3
105.07016	26.0
106.51367	4.3
107.04932	5.5
107.08573	22.4
109.06495	60.1
109.10146	11.2
111.04428	11.5
113.05980	57.4
117.06998	16.5
119.08549	20.8
121.06489	11.9
121.10132	16.6
122.38010	4.0
123.04382	4.8
123.08067	11.9
125.05997	5.9
125.09564	5.3
129.06990	6.9
131.08563	14.7
133.10120	14.0
135.08017	25.5
135.11687	15.6
135.75929	3.8
137.09671	6.3
143.08554	9.0
145.06519	5.6
145.10132	11.0
147.08141	8.1
147.11668	6.5
149.09586	10.4
151.11171	6.3
157.10127	7.2
159.11678	5.7
161.09589	15.0
161.13237	4.6
163.11172	11.9
165.09111	5.4
169.09984	4.7
171.11644	4.8
175.11197	4.9
177.12721	5.6
217.15950	6.0
221.15413	4.7
227.12808	5.0
255.17491	7.1
263.20059	3.7
273.18427	38.6
291.19461	61.6
305.20966	18.6
323.22098	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	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.5
55.01852	13.5
55.05503	47.0
57.03166	6.0
57.03430	98.6
57.07051	3.8
58.31192	3.2
59.61267	3.7
63.23275	3.0
67.05498	100.0
69.03408	11.4
69.07052	32.8
69.92680	12.4
69.93090	10.1
71.01319	3.3
71.04969	22.3
79.05483	90.2
81.03394	12.7
81.07041	96.7
83.04982	22.1
83.05394	4.2
83.08630	17.6
85.06512	17.4
91.04917	6.4
91.05460	81.0
93.07032	94.6
95.04952	37.0
95.08007	5.4
95.08590	80.3
97.06521	24.3
97.10141	12.0
98.20750	3.9
99.08080	31.8
105.07014	82.8
106.07328	4.2
107.04927	23.5
107.08574	63.0
109.06495	23.2
109.10132	29.5
111.04408	4.2
111.08054	14.7
113.06004	7.2
115.05463	4.2
117.06995	37.1
119.04893	3.7
119.08557	49.8
121.06497	14.4
121.10135	32.4
123.08046	21.1
123.11691	8.2
125.09611	14.9
127.07523	11.5
129.07019	28.1
131.08557	46.6
133.06468	10.1
133.10110	63.2
135.08035	28.8
135.11670	24.2
137.09573	11.0
138.23309	3.7
141.06949	5.8
143.08522	17.3
145.06462	7.0
145.10089	48.3
146.10374	3.3
147.08018	16.0
147.11658	16.0
149.05820	4.1
149.09566	25.6
149.13214	5.2
151.11148	27.2
153.09122	4.6
154.07814	3.7
155.08485	7.4
157.10114	22.7
159.11632	27.0
161.09550	23.5
161.13194	6.6
163.11186	9.1
169.10092	7.5
171.11629	17.6
173.13255	15.4
175.11159	16.0
177.12720	9.1
179.10667	6.1
179.14345	4.7
181.12158	4.0
183.11673	8.7
183.13791	5.9
185.13203	10.0
187.11075	4.3
191.14331	4.3
195.11703	4.6
197.13371	4.3
199.14809	17.4
201.12787	12.4
203.14223	7.1
217.15894	35.3
219.13756	12.7
221.15364	8.4
227.17844	6.8
233.15318	16.6
237.16333	6.2
245.19032	16.8
247.16754	3.9
249.18449	8.4
255.17416	11.4
263.16412	3.4
263.19913	4.3
273.18460	57.5
287.20145	5.4
291.19513	50.6
292.19754	4.7
305.21185	22.8
323.22116	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	323.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05484	3.4
57.03425	14.1
59.04975	3.6
66.44431	2.2
69.57036	20.8
70.06573	4.3
71.04978	29.1
71.08617	19.8
71.74165	1.9
72.84869	2.2
75.04470	5.3
79.05482	2.1
81.07035	11.8
83.04956	6.0
85.02896	48.3
85.06517	5.9
88.44744	2.4
93.07034	3.3
99.08063	16.3
101.06017	2.5
101.44745	2.2
105.03341	2.9
105.07050	3.5
109.06501	3.4
116.92790	2.3
117.09116	100.0
118.09475	2.4
119.08589	2.0
124.07568	2.9
129.05441	5.6
137.05959	6.7
141.09093	22.6
145.08582	8.4
146.74261	2.1
149.06094	2.7
150.74826	2.2
159.10118	5.7
161.05968	8.9
177.11232	18.8
202.07756	2.5
203.08536	5.4
231.08063	7.6
232.08676	2.4
248.08310	6.5
259.07571	3.4
263.10672	4.0
276.07657	5.0
277.08606	2.5
281.30154	2.2
291.10236	15.2
292.10550	3.2
308.10205	3.8
323.05515	5.3
323.12793	17.9
324.13376	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	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.58876	0.7
52.24319	0.6
55.01866	1.8
55.05499	2.8
57.03431	0.7
57.04621	0.6
67.05500	4.1
69.03422	2.2
69.07062	3.0
69.70023	2.3
69.70457	3.4
70.06580	1.8
70.47243	0.6
79.05048	1.0
79.05477	5.5
79.38170	0.6
81.03395	0.9
81.07049	5.9
83.04951	1.2
83.08615	1.3
84.08128	1.7
91.05468	4.0
93.07033	3.0
94.04169	1.5
95.04948	1.9
95.08592	3.2
95.33212	0.7
97.10145	1.8
99.08086	0.8
103.05455	2.5
105.07019	11.0
107.04952	1.6
107.08579	2.9
109.06511	1.6
109.10117	2.3
111.08071	2.0
115.05436	4.9
117.06994	0.7
118.04173	1.1
119.08554	1.9
121.10107	2.0
122.03631	2.3
123.04418	0.8
123.11639	1.8
125.09598	0.9
127.62659	0.7
128.06230	1.4
129.06998	1.1
131.04868	1.8
131.08511	1.1
133.06487	6.7
133.10088	1.3
135.04330	0.7
135.11673	1.3
137.05954	28.1
137.07007	1.6
139.05377	1.3
139.07498	0.7
145.06473	0.9
145.10078	0.8
146.03604	4.5
149.05971	3.0
149.13245	1.3
151.07532	0.7
155.04903	0.8
159.08067	1.0
161.05956	69.4
162.06380	1.4
165.06955	1.3
171.08049	1.2
175.07539	1.0
184.05222	1.3
185.06015	0.8
187.07471	0.8
189.06978	0.9
190.07649	1.1
191.08467	4.3
192.09303	2.8
199.07518	9.3
202.07750	17.4
203.08505	28.9
204.09212	2.0
205.06467	2.8
213.07111	1.3
215.08537	2.0
217.06546	0.9
219.08040	11.4
220.08768	11.3
221.09557	1.1
222.06670	0.8
229.06424	1.6
230.07253	4.0
231.08011	48.0
232.08723	8.8
233.06042	1.0
234.06642	1.2
235.07533	1.5
235.11150	2.4
237.09119	1.1
241.06400	1.3
245.09584	1.7
247.07501	9.2
248.08281	26.9
249.09047	3.4
258.06790	4.0
259.07516	36.2
260.08289	25.6
261.08820	2.8
262.09781	1.9
263.10663	22.0
263.13449	1.1
265.08527	2.6
273.08969	1.2
275.07092	5.1
276.07764	19.3
277.08505	5.8
280.10913	1.6
291.10104	100.0
292.10641	6.3
293.08157	4.4
295.09882	1.1
295.13232	1.9
305.24734	0.9
308.10434	4.4
323.12714	62.6
324.12985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.05508	3.7
56.05027	0.5
57.38599	0.3
67.05483	1.3
68.05015	1.0
69.07057	0.7
69.50076	3.3
70.06581	11.0
71.01313	0.3
71.08623	3.7
72.08144	7.6
75.38490	0.3
76.02220	0.4
79.05473	1.1
80.05014	0.9
81.05790	0.4
81.07041	3.2
82.06570	5.6
83.08599	1.0
83.81242	0.3
84.08131	6.3
91.05465	1.0
93.07038	1.2
95.04964	0.5
95.08595	0.8
99.08082	5.6
101.05005	0.3
105.07017	0.9
107.04970	0.5
107.07291	0.9
107.08587	0.4
108.08105	6.6
109.06492	0.4
109.10146	0.7
110.09664	100.0
111.09985	0.4
112.11228	6.9
113.00002	0.6
116.10708	1.0
119.04859	0.3
121.10114	0.6
123.11745	0.3
124.11181	0.8
128.10736	0.9
130.07292	0.4
136.11195	10.7
136.12234	0.6
137.05937	0.7
149.05891	0.4
161.05972	1.2
161.13261	0.4
168.13853	0.4
169.02557	0.8
170.15381	12.6
170.51736	0.3
199.07442	0.5
199.18010	0.9
202.07788	0.5
203.08562	1.1
207.18521	0.6
208.17046	0.5
219.08005	0.4
227.21129	2.3
231.07970	1.1
231.13861	0.4
232.08730	0.3
233.05896	0.4
247.07352	0.5
248.08311	1.2
259.07495	0.7
260.08273	0.5
263.10803	0.6
265.08536	0.6
276.07800	0.7
277.08609	0.7
279.09839	0.5
287.69308	0.4
290.08954	0.9
291.10190	2.5
293.07895	0.4
295.22919	0.4
299.05859	0.6
305.85947	0.3
307.09430	0.5
308.10306	0.4
322.11441	1.2
322.28485	75.9
323.09183	0.8
323.12708	4.3
323.28735	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	322.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05503	5.6
57.03421	1.5
57.07063	1.7
59.04999	1.3
60.04522	2.2
62.06081	100.0
67.05497	19.3
68.05820	1.0
69.07054	6.1
71.04976	1.7
71.08625	1.1
71.44131	1.3
71.51587	0.7
79.05486	12.9
80.05833	0.9
81.03374	1.0
81.07045	22.0
82.07396	0.7
82.39867	0.7
83.04972	1.9
83.08625	3.1
85.06535	2.0
91.05459	8.3
92.05803	0.7
93.07032	15.5
95.04951	3.6
95.08591	16.1
95.09206	1.1
97.06525	2.2
97.10168	1.3
99.08086	1.0
105.07011	6.8
106.07387	1.3
107.04932	1.6
107.08581	11.4
109.06494	4.0
109.10136	7.6
111.08093	1.0
113.06010	0.8
113.09665	1.6
117.07011	1.9
119.08580	5.1
120.08945	1.1
121.10130	5.8
122.07322	1.2
123.08079	1.9
123.11703	3.1
125.09630	0.8
130.08678	1.5
131.08559	5.5
133.10161	3.9
135.08049	1.6
135.11671	4.6
137.09599	2.4
137.13277	1.2
139.07526	0.9
140.03748	3.6
144.10205	0.8
145.10083	3.4
147.11687	1.7
149.09648	1.5
149.13246	2.9
151.11256	1.1
151.14854	1.1
152.11574	1.1
156.10350	0.7
159.11755	1.7
161.09679	1.3
161.13231	1.3
163.07524	0.7
163.11230	1.1
163.14816	1.9
165.09038	0.7
169.10089	1.0
172.13396	0.9
173.13284	2.4
175.14865	1.0
177.12724	1.1
177.16376	3.1
186.14886	1.2
187.14848	1.2
193.62817	0.7
200.16306	0.8
214.18065	0.8
243.21034	5.2
245.22572	0.8
261.22128	6.1
273.18671	1.6
290.22058	1.0
291.19598	2.1
304.26410	3.3
305.24731	1.7
317.10654	0.7
322.24506	8.6
322.27557	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	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
54.09415	1.5
55.01849	4.6
55.05489	5.9
57.03418	9.3
67.05499	10.6
67.98071	1.4
69.03413	8.7
69.07056	5.9
69.85095	8.6
69.85508	2.8
70.06575	8.2
71.01334	3.8
71.04948	1.6
72.08131	2.7
79.05482	29.7
81.03391	3.6
81.07043	42.4
83.04942	5.5
84.04495	10.0
84.08143	2.3
85.02904	8.9
91.05470	14.3
93.03430	1.8
93.07039	10.6
95.01322	10.4
95.04946	9.0
95.08571	2.5
97.02863	2.6
97.06524	18.6
98.20742	2.4
99.08093	4.0
101.02339	2.0
102.08571	2.0
105.06997	5.7
107.04930	5.6
107.08575	5.4
109.06509	25.2
110.09686	1.8
111.04432	4.5
111.08062	2.3
113.02309	4.1
115.05373	1.9
117.06997	5.3
119.04917	5.5
119.08565	8.6
121.02852	2.4
121.06484	4.0
121.10094	2.0
122.06046	2.1
123.04403	3.4
123.08048	3.2
125.05940	3.5
129.06952	2.9
130.04974	3.6
130.06483	1.5
131.08540	3.6
133.06499	2.7
135.08020	6.9
136.07536	1.8
137.05902	8.5
137.09497	1.8
139.03856	6.6
139.07507	4.4
141.01802	5.7
145.06458	3.3
147.08017	9.8
149.05980	3.2
151.07568	3.6
153.05388	2.5
155.07025	8.2
159.02861	2.1
161.05960	4.6
163.07509	10.7
165.05437	2.1
165.09088	25.2
167.06999	3.1
173.05992	1.9
175.07486	5.5
181.08525	5.4
183.10149	5.1
191.07034	4.4
193.08588	27.6
197.04437	6.2
199.09627	16.7
209.07965	11.5
211.09644	12.1
227.09142	12.9
233.26854	1.7
237.07471	6.2
255.08597	100.0
256.08957	4.5
262.09177	2.2
269.10373	2.4
273.09689	5.9
276.07776	1.8
291.10101	4.2
322.11658	1.9
322.16382	2.3
322.24689	2.2
323.05630	2.3
323.09180	2.8
323.12827	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	321.2417
Annotation	Vittadinal
Peak:m/z	Relative Intensity
53.03931	0.9
55.01865	1.6
55.05283	0.6
55.05504	8.9
57.03430	0.7
57.07060	6.3
57.66109	0.6
59.04976	0.6
67.05496	9.8
69.03409	1.8
69.07053	7.7
70.50905	0.7
71.04979	1.2
71.08618	8.1
79.05479	7.7
81.07040	12.7
83.04953	1.0
83.08587	2.1
85.06528	4.0
91.05460	6.0
91.44324	0.6
93.07030	12.3
95.04951	21.2
95.08587	13.7
95.91630	0.6
97.06503	2.7
97.10146	1.5
99.08071	7.0
105.07022	9.7
107.08573	7.8
109.06503	30.3
109.10125	5.0
110.06824	0.7
111.08036	2.0
115.05391	0.7
117.07009	1.6
119.08552	8.2
121.06492	9.3
121.10108	4.1
123.08043	3.4
123.11678	0.9
125.09602	0.8
125.46815	0.6
129.06973	0.9
131.08534	5.3
133.10101	4.3
135.08037	4.6
135.11642	1.6
137.09612	3.9
143.08559	1.1
145.10078	3.6
147.11700	3.1
149.09576	2.2
149.13139	1.5
151.14827	1.9
153.12746	1.4
157.10033	1.1
159.11664	2.4
161.09558	0.7
161.13237	2.7
163.11124	3.4
163.14769	1.0
165.12727	100.0
166.13058	4.5
171.11624	1.0
173.13281	3.2
175.11140	2.0
177.12752	6.3
179.14264	2.9
183.11697	0.8
187.14809	1.8
189.12712	1.1
191.14232	3.7
197.13206	1.1
201.12715	1.1
205.15866	1.4
215.14349	1.3
233.15431	0.9
243.20992	1.1
247.16953	0.8
247.20618	1.1
261.22137	7.9
265.17792	3.0
271.20468	3.3
289.21570	42.3
290.21869	4.2
303.23096	1.5
321.24182	55.3
322.24487	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	321.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05502	9.6
57.07071	1.5
65.03938	3.3
67.05492	94.9
69.07052	12.6
71.71595	1.1
71.72021	0.6
79.05480	12.8
81.07042	100.0
82.07379	0.9
83.04984	0.8
83.08602	9.1
85.06530	1.1
91.05453	5.6
93.07030	10.5
93.31835	0.6
95.04971	0.7
95.08588	94.2
96.08929	0.7
97.06504	2.3
97.10157	5.5
99.08114	0.8
105.07005	4.2
107.08572	8.0
109.10136	42.3
110.10435	0.7
111.08092	1.1
111.11701	1.0
117.07008	1.1
119.08559	3.4
121.10110	8.0
123.08050	2.2
123.11682	20.6
125.09567	0.7
129.09108	0.8
131.08528	3.8
133.10121	3.5
133.26192	0.6
135.08028	0.7
135.11685	4.9
137.09598	2.7
137.13235	9.5
139.11166	1.4
145.10109	2.5
147.11639	3.3
149.09557	1.2
149.13226	2.9
151.11163	2.3
151.14845	3.4
153.12868	0.8
159.11638	2.6
161.13232	2.1
163.14809	1.3
165.12657	1.3
165.16338	2.1
167.14232	0.8
173.13222	4.0
175.14830	1.7
177.12653	1.1
177.16345	0.8
179.14310	1.2
187.14795	4.0
189.16385	1.4
191.14256	1.1
193.15828	0.8
201.16295	2.4
205.15857	0.8
205.19458	1.4
207.17413	0.9
209.15309	0.9
215.17899	1.2
219.17352	1.2
223.16933	0.8
239.03343	0.7
251.19815	1.0
271.24075	2.4
289.25208	6.4
321.24481	1.0
321.27798	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	321.242
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03927	1.2
55.01852	1.3
55.05278	0.7
55.05504	9.4
57.03409	1.8
57.07042	0.7
59.04999	4.1
62.06081	3.3
67.05497	12.5
69.07059	8.3
70.27036	2.7
71.04987	4.9
73.06520	1.6
79.05478	14.0
80.68017	0.5
81.03378	1.1
81.07043	15.6
82.34184	0.6
83.04930	0.9
83.08617	3.9
85.06533	2.9
91.05469	20.6
91.19593	0.5
93.07033	15.0
94.04160	0.7
95.04948	3.4
95.08595	10.6
97.06526	3.8
97.10179	2.6
98.20737	0.7
99.08086	1.4
103.05444	1.0
105.07014	23.6
107.04927	0.9
107.07914	0.7
107.08578	9.4
107.88000	0.5
109.06505	10.5
109.10143	4.8
110.07271	1.0
111.08068	4.2
115.05434	0.7
117.06998	4.5
119.08568	17.7
121.06505	3.0
121.10115	5.1
122.07253	0.8
123.08056	10.2
123.11677	1.0
125.09609	1.6
129.06964	1.3
131.08548	6.7
133.10106	11.9
135.08012	5.6
135.11662	2.7
137.09599	6.2
139.11163	0.9
140.03723	1.0
141.06944	0.6
143.08517	1.7
145.10103	7.0
147.08026	0.8
147.11659	7.6
149.09607	4.5
151.11163	14.7
155.08536	0.6
157.10036	1.5
159.11687	4.5
161.09579	0.7
161.13242	2.2
163.11218	2.8
165.12733	4.0
169.10052	0.8
171.11665	1.5
173.13206	3.2
174.94714	0.5
175.11084	0.6
175.14783	0.8
177.12679	1.5
179.14296	1.1
183.11668	1.3
187.11121	0.7
187.14755	0.9
189.12857	0.6
197.13268	1.5
211.14873	0.6
213.16289	0.7
215.17838	0.6
229.19495	0.8
239.17882	1.8
239.52771	0.6
257.18881	1.6
263.20007	1.6
289.18063	2.0
289.21521	12.9
290.21945	0.7
321.24194	100.0
322.24466	6.0
322.27713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2419
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01846	1.5
55.05273	0.7
55.05504	8.9
57.03424	4.1
57.07064	4.9
57.14716	0.5
57.86420	0.5
59.94744	0.5
67.05490	6.2
69.03393	0.8
69.07055	5.3
69.94751	2.7
71.04990	0.9
71.08612	1.5
79.05478	4.9
80.99606	0.5
81.07045	10.3
83.04957	4.4
83.08614	3.5
83.12324	0.5
85.06530	2.5
91.05466	4.2
93.07033	7.3
95.04932	1.9
95.08585	10.5
97.06509	1.7
97.10146	1.3
97.43395	0.6
98.21447	0.6
99.08052	1.7
105.07008	3.9
107.04946	4.1
107.08575	5.5
109.06505	17.9
109.10136	3.7
111.04430	1.3
111.08067	2.2
117.06992	1.4
119.08547	4.6
121.06445	1.9
121.10112	3.6
122.07268	1.1
123.08049	56.9
123.11681	1.5
124.08334	1.4
125.09547	0.7
129.06975	0.9
131.08559	2.5
133.10112	2.8
135.08023	7.8
135.11671	1.5
136.08809	0.7
137.09590	3.8
139.11200	0.6
143.08513	0.9
145.06500	0.6
145.10132	3.2
147.08020	1.1
147.11671	1.4
149.06007	0.7
149.09573	1.6
149.13292	0.9
151.07533	0.7
157.10068	1.0
159.08046	1.0
159.11688	1.5
161.09592	0.9
161.13251	1.1
163.11137	1.3
165.12730	1.2
167.14182	0.6
169.10127	0.8
173.09572	0.8
173.13251	1.1
177.12758	1.0
177.16498	0.6
179.14282	56.2
180.14609	3.0
187.14824	1.2
193.15857	1.5
203.12769	0.8
205.15842	1.4
215.14333	1.1
233.15350	3.4
243.17380	0.6
247.16924	1.1
261.18481	1.2
261.22073	0.7
265.17963	13.5
266.18246	1.0
271.16855	1.3
279.19601	0.5
289.17896	3.7
303.23157	5.6
321.24188	100.0
322.24536	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	321.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01865	8.6
55.05499	27.3
56.84288	1.4
57.03429	12.8
59.04979	2.4
67.05495	30.0
69.03418	5.9
69.07054	10.7
71.04975	2.9
79.05480	27.1
81.03407	6.0
81.07045	27.6
83.04969	46.9
83.08602	6.6
85.06540	2.3
91.05457	31.5
93.07031	31.8
93.07584	2.5
95.04945	11.0
95.08589	23.3
97.06516	7.4
97.10160	5.2
99.04443	10.5
99.08064	1.4
103.05493	2.1
105.07012	23.8
107.04938	12.2
107.08576	17.3
109.06493	11.0
109.10151	6.9
111.04441	5.0
111.08081	3.9
115.05442	1.5
117.06998	14.9
119.08569	17.0
121.06489	11.8
121.10157	9.3
123.04427	5.4
123.08051	6.6
123.11736	1.8
125.05996	11.1
125.07843	1.5
125.09621	4.2
127.07662	1.5
129.06985	6.1
131.04910	2.0
131.08542	19.4
133.06450	8.1
133.10130	11.0
135.04405	5.5
135.08012	13.0
135.11668	4.6
137.05978	5.8
137.09595	4.8
143.08559	4.8
145.06482	5.8
145.10098	12.9
147.08031	5.4
147.11664	3.2
149.05980	8.7
149.09604	14.4
151.07491	13.3
151.11157	4.1
155.08482	2.5
157.10159	4.8
159.08032	12.4
159.11674	6.5
161.09575	8.9
163.07535	8.8
163.11168	9.6
165.09119	2.8
169.10143	4.4
171.11696	4.3
173.09618	14.2
173.13211	3.8
175.07593	2.8
175.11166	4.7
177.09093	25.4
177.12723	3.6
179.10683	2.5
183.11606	2.0
187.11226	4.9
187.14742	2.4
189.09056	3.5
189.12744	3.0
191.10625	5.7
193.12222	1.7
199.11064	2.3
201.12910	2.1
201.16380	1.9
205.12265	2.7
205.15883	2.4
211.10988	1.9
215.14352	4.7
215.17880	3.1
217.12228	2.6
219.13805	2.7
225.16383	4.6
229.15831	2.2
229.39854	1.6
233.15338	11.9
243.17439	6.0
247.16934	2.3
253.15840	3.2
261.18484	12.5
264.37970	1.6
264.62634	1.8
271.16873	16.8
289.17938	100.0
290.18277	4.7
299.78751	1.7
303.19580	2.9
303.23145	1.9
319.66287	1.7
321.17087	3.0
321.20575	19.5
321.24298	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	321.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.9
54.16146	1.9
54.73715	1.8
54.85550	2.2
55.01861	16.0
55.05500	46.4
57.03423	21.0
59.04978	3.6
65.03923	3.0
67.05495	42.4
69.03403	6.1
69.07059	17.5
71.04971	9.5
71.71668	2.5
79.05481	38.9
81.03400	7.5
81.07047	32.8
81.66444	1.9
83.04977	11.3
83.08593	22.7
85.02852	2.8
85.06519	2.5
91.05463	32.7
93.07030	23.9
95.04951	24.2
95.08587	17.5
97.06498	9.3
97.10155	35.4
99.08084	2.9
105.07026	19.8
107.04940	26.3
107.08578	32.4
109.06504	14.1
109.10126	12.4
111.08030	2.9
113.05994	3.9
115.05429	3.8
117.07017	18.6
119.04893	2.7
119.08559	16.6
121.02804	4.2
121.06496	61.6
121.10145	5.5
123.04369	4.4
123.08051	8.4
125.09621	35.4
128.06171	2.7
129.06958	5.5
131.08511	10.0
133.06482	3.6
133.10075	7.8
135.08015	29.9
135.11659	4.8
137.05960	2.6
137.09572	9.2
143.08510	4.7
144.05707	2.5
145.06490	4.5
145.10065	8.0
147.08006	8.9
147.11653	6.4
149.09592	6.6
151.07498	3.9
151.11111	2.2
153.09109	7.5
155.08609	2.4
157.10126	5.8
159.08038	67.1
159.11728	5.6
161.09573	6.2
163.07521	53.6
163.11159	4.5
169.10124	4.1
171.10239	2.7
171.11685	3.6
173.09570	7.7
173.13248	3.1
175.07529	3.9
175.11159	6.2
177.09021	7.3
183.11679	3.7
185.09581	9.8
193.12064	4.3
199.11116	4.0
203.12744	19.2
215.14250	4.9
219.13760	16.9
233.15317	7.4
243.17400	7.4
247.16925	2.6
251.16336	5.2
253.15826	16.0
261.18445	6.8
271.16891	28.2
289.17938	100.0
290.18222	4.4
303.19565	4.6
314.77798	1.9
321.20605	39.2
321.24182	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	321.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05503	4.0
59.84975	1.5
67.05489	6.0
69.03416	3.6
69.07059	5.3
70.06597	1.3
71.04985	2.3
71.70673	1.8
71.71076	1.9
72.04485	2.5
79.05487	4.6
81.03401	6.0
81.07040	11.9
83.04958	2.7
86.09695	97.9
91.05464	6.0
93.07034	7.7
94.40029	1.5
95.01330	1.5
95.04948	5.3
95.08587	11.3
97.06528	2.9
97.10143	2.8
103.05464	3.3
105.07008	6.5
107.04909	3.0
107.08584	8.4
109.02824	2.8
109.06507	3.2
109.10126	7.2
110.75629	1.6
111.08098	1.6
119.08584	8.0
120.08089	100.0
121.08404	2.5
121.10111	7.4
123.11729	2.6
128.10707	53.0
129.11046	1.8
131.04895	1.6
131.08549	4.8
133.10077	5.1
135.08064	2.6
135.11685	4.4
145.02792	3.3
145.10088	3.8
147.11661	3.6
149.05956	2.8
149.13226	3.9
151.11172	2.7
156.10202	11.2
159.11671	3.1
166.08620	56.3
177.05431	4.4
218.07256	2.5
246.06754	2.2
261.09033	2.3
261.14944	2.4
278.09064	1.7
289.08472	4.3
303.23199	3.6
306.08737	2.9
321.11298	8.5
321.17093	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
55.05490	3.8
57.03411	1.6
57.07049	3.9
59.04999	2.9
67.05485	9.4
69.03408	3.0
69.07043	5.0
69.51538	1.3
70.06559	2.4
71.04980	1.5
71.69727	1.2
71.70155	1.8
79.05480	6.3
81.03418	2.9
81.07042	13.0
83.04962	2.2
83.08600	2.3
85.02879	1.5
85.06527	3.6
91.05470	7.1
93.07040	9.8
95.04942	4.8
95.08591	20.3
97.06508	5.5
97.10218	1.8
105.07013	11.6
107.04955	2.3
107.08571	10.7
109.06494	5.6
109.10141	6.0
117.07001	2.6
119.08545	10.2
121.06485	3.7
121.10116	6.8
122.07275	1.7
123.08044	44.0
123.11670	2.5
129.06979	1.9
131.08553	3.8
133.06459	3.2
133.10109	5.6
135.08028	2.5
135.11682	2.4
137.05951	10.9
137.09593	2.5
141.09077	4.4
142.07805	1.5
143.08455	2.5
145.02786	1.6
145.06586	1.5
145.10083	6.1
147.08014	2.6
147.11684	4.1
149.09607	5.2
151.07512	100.0
151.11169	2.3
152.07834	3.5
156.09338	1.6
157.10083	4.5
159.08061	3.1
159.11681	4.1
161.09647	2.5
163.11176	1.6
171.11682	3.6
173.09604	2.2
173.13249	2.5
174.10388	2.0
175.11171	3.7
177.05573	2.4
177.09082	1.9
177.12819	1.4
179.10742	1.6
183.11633	1.9
189.07037	1.6
189.12703	26.7
192.11412	5.2
197.11729	4.8
204.02820	1.2
207.13766	70.1
207.51030	1.3
208.13994	1.7
211.14839	1.6
215.14276	2.8
217.12411	1.2
218.07341	1.5
233.09584	2.0
233.15227	2.3
241.16061	1.7
245.15474	1.4
247.07324	1.4
247.13306	2.2
261.09070	1.6
265.14233	1.3
278.09235	1.6
285.18503	2.8
289.08682	3.2
290.09058	1.3
303.19467	4.9
306.08755	1.8
321.11145	5.0
321.20584	40.5
321.23981	1.5
322.16238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.6
57.73426	0.7
59.13119	0.8
67.05484	3.1
69.07060	2.2
70.06568	1.2
71.70328	1.5
79.05476	2.7
81.03404	1.1
81.07028	3.5
83.04986	1.3
91.05463	2.9
93.07030	2.0
95.04942	1.9
95.08588	4.3
97.10139	1.0
97.79790	0.8
104.28899	0.8
105.07002	3.2
107.04952	1.4
107.08562	2.4
109.06487	1.2
109.10139	1.5
119.08559	1.8
121.06453	1.9
121.10120	1.2
123.08028	6.0
125.09630	0.9
131.08569	1.5
133.10121	1.5
135.08054	0.9
137.56192	0.8
147.11714	0.8
149.09650	1.0
151.07513	12.5
172.65947	1.0
175.11305	1.3
189.12700	4.3
207.13756	7.4
283.13928	0.9
321.16702	100.0
321.20288	4.7
321.26196	2.5
322.17072	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	320.2327
Annotation	Lycoposerramine A
Peak:m/z	Relative Intensity
53.03933	1.0
57.23179	0.3
58.06585	0.5
58.19628	0.3
60.62533	0.3
71.04975	2.5
71.26405	0.5
71.26726	0.6
72.08142	6.5
74.06992	0.3
77.03904	0.9
79.05480	0.6
84.08122	1.2
91.03612	0.4
95.04940	1.2
100.07600	2.9
100.33933	0.3
105.03374	92.0
106.03722	1.0
109.43600	0.3
112.11229	1.6
116.70963	0.4
122.05965	0.5
127.12209	0.4
128.10699	18.8
134.05983	6.3
142.12256	7.3
146.06078	0.5
159.14911	0.4
161.10773	1.0
162.09117	100.0
163.09460	1.4
176.10651	1.1
233.16458	1.3
292.23541	0.5
302.22305	0.7
303.20584	1.1
320.23270	78.4
321.23602	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	321.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87841	1.7
56.96547	10.7
61.02906	3.5
67.31294	1.6
69.49521	19.1
70.98116	1.9
76.75838	2.0
87.92632	1.9
91.02396	1.9
97.41759	1.6
98.97618	3.6
100.99123	2.9
101.00862	28.9
113.00847	4.1
115.02425	8.5
116.98632	3.7
119.01904	100.0
120.01992	3.1
120.96714	1.9
121.01675	2.8
128.98570	3.5
129.04031	2.8
131.01877	23.2
133.03447	28.9
137.02942	22.3
142.03508	3.1
143.01898	5.9
144.98062	3.8
144.99835	3.3
145.03445	6.7
146.99559	2.0
147.05013	4.1
149.02968	9.8
151.04539	8.1
155.01897	7.3
157.03426	3.8
158.99646	2.3
159.01476	2.9
161.02908	16.0
162.99185	2.2
163.04646	2.3
168.99785	11.6
169.16119	1.9
171.01343	4.6
173.02953	30.2
175.04527	7.4
177.00848	3.1
177.02446	6.4
179.04028	2.1
185.02928	5.8
187.00835	27.8
189.02411	17.4
191.03996	21.6
195.03459	2.5
196.99290	5.1
198.20047	1.9
199.00948	2.7
201.00688	3.5
201.02423	27.0
203.03964	4.8
205.00270	4.1
205.01942	10.3
213.02467	7.3
215.00314	33.1
217.01955	2.3
217.05582	2.8
219.01640	4.1
219.03473	51.7
221.05028	2.5
223.01256	7.4
227.54500	2.2
229.01932	16.7
231.03510	13.2
233.01314	3.0
233.05080	17.0
237.04655	2.7
239.05891	2.4
242.04988	2.5
243.15340	1.9
246.02719	1.8
247.02960	51.2
248.03145	2.4
249.04709	9.0
261.04639	4.5
265.04028	10.0
270.04605	2.9
279.05630	2.7
289.04068	10.8
307.05103	2.3
321.06607	11.0
321.09671	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	319.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20886	0.7
56.05018	4.3
57.05804	1.4
60.05629	2.6
64.81404	0.7
69.00321	0.7
69.04529	1.9
70.06577	3.5
70.66830	2.8
79.05493	0.8
83.06076	3.3
87.05585	1.0
95.06085	3.3
99.07942	1.1
105.03332	0.9
106.06516	0.8
110.97276	0.9
111.05541	7.8
112.08704	1.5
113.07101	4.0
118.06519	0.9
120.04447	3.5
123.05462	1.0
126.06590	3.9
127.07404	2.4
132.04419	15.0
132.08078	1.8
134.06003	6.0
137.04720	2.0
140.08168	3.2
148.03979	1.7
150.05482	8.6
151.06116	8.5
162.62173	0.9
165.06522	1.1
174.05487	0.8
176.07057	2.3
187.08583	4.9
189.06596	1.9
202.09619	4.5
203.08121	5.8
230.09235	3.2
231.05257	1.6
231.07605	31.1
232.07906	1.0
232.10802	1.0
233.09190	1.0
233.13933	6.9
234.12363	1.9
235.80685	0.8
242.09201	2.5
246.08670	1.4
249.13524	1.0
257.10312	4.4
259.11862	27.8
260.10181	0.9
273.03851	4.0
277.12915	98.2
278.13208	4.2
284.11343	5.4
300.59003	0.9
301.03336	0.9
301.14038	1.7
302.12418	60.0
303.12848	1.9
319.04709	4.7
319.15082	100.0
320.15323	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	319.2626
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03942	4.5
53.16837	0.8
53.51596	0.9
55.01867	1.5
55.05272	1.1
55.05503	15.0
57.07055	2.4
65.03915	1.9
67.05496	41.4
69.07057	18.0
70.89741	2.4
70.94385	0.8
73.81864	0.9
75.81048	1.0
77.03954	1.2
79.05482	69.6
80.05810	1.5
81.07045	49.1
83.04951	1.4
83.08614	8.3
85.06520	1.9
91.05464	23.6
93.07030	100.0
94.07359	2.2
95.04964	7.4
95.08593	37.0
97.06514	3.0
97.10124	1.9
105.07017	12.4
107.08576	57.1
108.08900	1.4
109.06509	1.7
109.10136	15.5
111.08060	1.5
117.06995	2.9
119.08555	9.3
121.10126	50.0
122.10459	1.8
123.08031	1.2
123.11701	4.7
125.09650	1.4
131.08525	5.1
133.10120	8.6
135.08107	1.1
135.11674	51.2
136.12039	1.9
137.13220	1.4
139.11192	1.2
143.08485	1.7
145.10120	5.9
147.11694	6.0
149.09537	1.2
149.13234	32.4
151.11166	2.0
157.10173	1.5
159.11652	4.1
161.13174	2.7
163.11174	1.6
163.14790	17.2
171.11650	2.2
173.13245	3.4
175.14766	2.5
177.12688	1.3
177.16377	4.5
185.13226	1.6
187.14740	1.8
191.17834	1.1
199.14835	2.0
237.18436	1.2
249.18440	1.5
259.20508	1.3
263.19949	2.1
277.21677	1.8
287.20639	1.6
287.23624	8.2
302.24814	2.0
319.26270	56.1
320.25873	16.2
333.85919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05507	1.6
55.81937	0.6
56.05033	3.4
57.54586	0.6
58.99571	4.5
61.01127	1.1
67.05499	1.1
68.05032	1.0
69.07038	0.9
70.06587	1.0
70.75530	1.1
70.75867	1.2
72.08133	1.5
74.00640	3.5
76.02212	2.5
79.05482	2.3
80.04999	0.7
81.07050	5.1
84.04488	1.0
84.08124	1.3
85.01105	3.9
85.02886	0.9
86.00640	26.6
86.09690	2.3
87.02711	1.2
88.02224	2.4
89.03925	1.1
90.83009	0.7
93.07024	0.9
94.06567	0.8
95.04950	5.0
95.08580	3.9
96.08120	0.8
98.09657	6.4
100.02178	1.0
101.04221	0.9
102.05543	1.7
105.07006	1.3
110.09669	2.3
112.03951	1.4
113.04212	12.7
116.01657	2.6
117.03384	1.4
122.09637	4.9
123.08032	3.0
129.07315	3.5
130.04976	1.1
130.06818	1.0
135.04376	3.1
139.05757	2.0
143.02687	1.2
145.02815	2.0
156.08403	74.0
156.10188	4.4
157.08745	1.6
162.02174	1.0
163.03880	15.0
164.04195	1.1
189.03242	1.4
198.07567	0.8
198.07846	0.4
198.09444	19.1
213.10519	4.7
216.10501	100.0
217.10718	3.1
226.08995	2.0
231.39227	0.7
255.11705	1.3
259.11075	47.4
260.11371	2.5
267.44763	0.8
273.03760	0.8
277.12958	2.2
283.10995	1.5
301.12103	4.9
302.12527	1.0
319.04279	2.5
319.07727	1.6
319.13138	34.0
320.13464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
55.05498	2.8
56.05029	7.1
58.99571	13.3
61.01117	1.1
67.05487	4.9
68.04991	1.4
68.07413	1.1
69.07045	1.1
69.87889	7.0
70.06576	1.7
72.08133	1.9
74.00639	3.0
74.59388	1.0
75.94933	1.0
76.02211	6.2
76.03988	1.6
79.05460	2.9
80.05006	1.5
81.03394	1.2
81.07044	7.9
84.04479	2.0
84.08100	1.5
85.01113	8.8
85.02908	9.4
85.54137	1.0
86.00635	31.8
86.09695	1.9
87.02667	3.4
88.02174	4.5
93.07014	1.9
94.06496	1.3
95.08592	10.7
96.08098	2.6
97.01070	1.5
98.09668	15.1
101.04236	5.6
102.03764	1.2
102.05513	2.9
105.07007	2.0
110.09652	4.2
112.03963	2.0
112.34659	1.2
113.04202	15.8
116.01662	5.4
120.08124	1.1
122.09624	5.6
123.08060	7.2
129.07318	25.5
130.04932	2.8
130.06830	2.3
130.08623	1.8
132.01070	1.1
139.05717	3.4
143.02719	4.2
144.01100	2.1
145.06059	2.2
146.02666	2.9
153.01837	2.3
156.08403	91.2
156.10153	12.3
157.08701	2.9
162.02208	2.8
170.99088	1.0
184.46942	1.2
189.03238	8.1
198.09457	20.8
213.10477	1.9
216.06946	4.4
216.10495	100.0
217.10924	1.9
226.08897	3.0
242.08435	2.0
259.11075	94.7
260.11395	2.3
273.03738	1.8
273.12686	1.5
277.12927	2.4
283.10675	1.9
301.11816	3.1
302.12497	1.9
319.04715	11.2
319.13129	91.4
320.13486	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	318.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	5.0
56.04999	1.1
60.04512	22.1
70.02921	1.4
70.06580	3.7
71.69335	1.0
72.08140	58.2
74.06085	0.9
75.86784	0.9
84.04515	1.6
84.08121	1.2
86.09690	35.4
87.05575	13.9
96.08092	1.6
98.09661	1.2
114.09145	15.9
118.08607	1.8
128.10684	1.7
130.06525	1.9
132.10168	6.3
135.04416	1.3
157.07545	4.4
159.11259	100.0
160.11615	1.8
163.03902	3.6
172.05954	1.1
173.11302	0.6
173.12828	22.9
187.10745	29.3
201.12320	7.7
203.08125	4.2
212.11105	1.2
217.04968	1.8
219.13324	1.1
227.03529	1.0
231.07640	3.0
231.16968	1.7
233.14026	1.0
245.04424	3.7
257.12912	1.3
259.11874	3.1
261.03928	1.0
273.03918	9.9
276.02643	3.7
277.12958	6.7
283.02386	1.2
289.03391	1.8
290.03940	3.5
301.03555	4.6
301.11783	3.0
301.15466	7.6
302.12436	5.7
318.06265	2.5
318.30045	1.4
319.04437	29.0
319.15311	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	319.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	3.6
58.99857	3.4
64.48215	1.2
70.35620	5.5
70.83921	1.2
70.98095	2.1
70.99837	2.2
74.80359	1.4
77.00884	3.5
82.99844	1.5
89.00895	2.1
94.46649	1.1
94.55041	1.3
98.21228	2.6
98.97545	1.6
101.00862	14.5
115.02422	4.4
119.01899	53.9
119.02762	2.7
120.01986	1.8
131.01849	6.3
133.03450	37.4
137.02933	10.8
142.03435	1.5
144.55055	1.4
145.03442	2.8
149.02864	6.7
151.04501	14.0
156.99788	4.2
161.02922	5.5
163.04485	2.7
165.00568	2.2
167.04030	1.6
171.01329	9.6
173.02914	2.4
175.00858	54.2
177.00720	1.6
189.02419	35.0
190.98788	1.7
191.03996	2.0
193.01932	16.8
199.00822	8.8
203.04115	1.4
207.03481	3.6
217.01906	100.0
218.02086	2.8
219.03456	2.7
221.05194	2.3
227.00331	2.2
231.03331	7.3
235.02957	74.9
236.03136	1.9
240.03499	4.2
245.01518	6.3
249.04480	3.1
259.03009	14.5
263.02347	1.6
277.04037	42.6
278.04382	1.8
295.05121	7.2
300.05624	2.2
319.04816	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	318.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75332	3.3
55.05497	3.6
56.96549	14.6
57.03410	11.6
61.02916	4.1
65.49950	3.5
69.03408	4.9
69.04537	3.9
69.07047	11.7
70.04053	11.6
70.06577	5.3
71.01303	4.1
71.02458	13.7
71.04827	3.3
71.68349	3.9
72.08147	47.2
73.02902	9.4
82.04055	6.1
84.04485	10.6
84.08140	8.6
85.02879	13.5
86.09698	100.0
88.03959	3.7
88.05107	4.6
89.03488	7.7
97.02868	10.8
97.05122	9.5
98.03516	36.8
98.05889	8.2
98.97592	6.6
99.04325	4.4
100.05078	9.6
102.05547	5.3
103.54511	3.9
109.05138	4.4
110.03575	3.8
113.04636	4.4
115.03869	6.7
115.06143	34.2
116.07053	6.9
124.03818	8.2
125.04575	11.4
125.06964	78.6
126.05389	27.2
126.07764	16.8
127.03877	4.1
127.06171	4.4
128.60782	4.1
128.98589	4.6
130.04965	4.2
133.04944	8.0
136.06174	38.4
136.09276	3.1
137.04553	7.6
138.05452	6.1
141.06462	19.5
142.07198	5.0
143.05626	50.6
146.99657	6.3
148.06050	6.7
152.05678	8.8
153.04147	3.7
153.06442	62.7
154.07198	33.5
155.99657	5.7
157.04767	3.9
157.13321	17.8
158.06760	6.4
158.99651	8.1
163.03973	4.7
164.05624	8.3
169.05966	7.6
170.06683	6.8
172.13315	9.3
174.00664	6.1
177.00700	19.4
177.08810	6.4
182.06766	6.8
185.12805	6.4
185.16479	20.1
186.06198	32.8
205.08112	4.7
211.07001	6.4
213.15985	8.8
217.00165	5.5
235.01190	8.4
257.11185	12.2
275.09814	5.8
285.10660	13.0
289.03442	3.9
295.59879	3.5
318.23959	23.3
319.04370	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	317.247
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
55.05500	3.9
57.07056	2.6
65.29509	1.0
67.05492	10.8
69.07055	4.0
69.40165	8.2
69.40588	2.2
70.06580	2.3
71.04997	6.6
79.05472	12.5
81.07033	12.9
83.08615	2.7
85.06536	12.5
88.03962	2.3
88.07615	4.1
91.05474	10.8
93.07035	19.6
95.04944	2.5
95.08592	15.8
97.06521	1.5
99.08084	1.8
102.09142	1.4
105.07014	21.3
107.08574	20.7
107.68678	0.8
109.06533	1.5
109.10149	11.1
111.08069	1.0
117.06998	3.8
119.08566	16.3
121.10134	10.9
123.08056	1.2
123.11703	2.7
129.06984	1.7
131.08540	7.6
132.10266	1.5
133.10114	14.8
135.11684	6.8
137.09628	1.7
140.02560	0.9
143.08534	4.6
145.10106	16.2
147.11678	23.0
149.13237	6.2
150.11240	2.6
151.07520	1.0
155.08601	1.1
157.10097	5.0
157.90118	1.0
159.11678	14.6
161.13266	11.5
163.14766	1.8
165.12718	2.7
169.10152	1.9
171.11676	4.2
173.13252	9.0
175.03917	1.4
175.14832	7.3
177.12753	1.2
183.11710	2.0
185.13237	6.2
187.14877	4.4
189.12750	3.8
189.16296	1.1
191.14310	8.2
197.13246	3.9
199.14775	5.5
201.16380	2.7
203.14270	9.4
205.15807	5.5
211.14854	2.6
213.16417	2.7
214.93204	0.9
215.17929	6.2
217.15875	2.5
218.02022	1.1
224.68263	0.9
225.16321	5.2
226.01979	0.8
227.17767	1.2
229.19490	3.3
230.24782	1.9
231.02866	2.2
233.04471	3.2
233.09651	0.9
239.17873	2.1
241.19479	5.6
243.13693	1.1
255.21063	12.7
256.26248	7.7
281.22601	34.0
282.22971	1.8
299.23645	100.0
300.24042	3.5
317.21024	2.9
317.24719	23.1
317.28030	6.9
318.30124	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	317.2106
Annotation	Cespihypotin M
Peak:m/z	Relative Intensity
50.28780	0.3
50.88138	0.4
53.03935	0.7
55.01859	0.8
55.05490	1.2
57.02648	0.3
67.05495	2.8
69.03405	0.8
69.07053	1.5
71.04968	0.4
71.71043	0.5
79.05477	8.8
81.03427	1.6
81.07046	9.9
83.04964	5.4
91.05480	2.6
92.40234	0.4
93.07029	4.1
95.04940	0.9
95.08582	4.3
97.06513	100.0
98.06851	1.5
103.05428	0.4
105.03384	0.8
105.07008	3.6
107.04929	0.7
107.08574	3.4
109.06499	81.7
109.10139	1.7
110.06834	1.9
115.05495	0.4
117.06974	0.8
119.08569	2.6
121.06481	1.0
121.10123	1.5
123.08054	6.6
123.11640	0.4
127.03901	0.6
129.06931	0.5
131.08527	1.4
133.10092	2.1
135.08017	0.6
135.11676	1.2
137.09636	0.6
143.08548	1.3
145.10069	2.0
147.11673	2.5
149.09598	0.8
149.13313	0.7
149.21350	0.4
155.08461	0.5
157.10094	1.6
159.11661	2.8
161.09663	0.5
161.13271	1.7
163.11275	0.8
169.10101	0.6
171.11681	1.4
173.13219	0.9
175.11124	0.4
175.14857	0.6
177.12724	1.9
183.11626	0.4
185.13240	1.1
187.14761	1.4
189.12723	0.6
189.16397	0.9
191.14308	0.6
197.13271	1.2
201.16339	0.4
211.14835	0.5
213.16309	0.8
217.15881	0.5
229.13492	0.5
229.15947	0.4
239.18428	0.3
243.13939	0.4
247.16905	0.5
253.19466	6.3
257.12991	0.6
271.20496	7.0
281.19040	1.0
299.20044	3.3
299.23242	0.6
317.06494	1.1
317.21066	59.5
318.21347	3.6
318.24472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03933	2.0
55.01854	4.2
55.05503	17.3
57.07069	9.6
59.04982	6.8
59.37591	1.7
63.28500	2.1
65.03925	3.1
67.05495	61.8
69.03415	5.7
69.07044	6.0
70.06573	2.3
70.24619	3.3
70.24939	10.8
71.04977	3.7
79.05465	10.4
81.07040	34.5
83.04956	4.6
83.08586	5.4
84.89656	2.0
85.06532	4.2
88.07605	5.0
91.04603	2.2
91.05463	17.2
93.07035	25.5
95.04955	35.3
95.08608	25.5
97.06513	11.5
105.07011	21.0
107.04935	2.4
107.07916	3.6
107.08582	48.3
109.06507	22.7
109.10146	100.0
111.08050	2.7
113.09612	2.7
117.06995	6.8
119.08564	62.6
121.06483	8.6
121.10095	11.3
123.08047	31.9
125.05953	3.5
129.07022	3.2
131.08528	8.8
133.06462	5.5
133.10085	10.4
135.08049	10.7
135.11563	2.7
137.09596	77.7
139.07483	2.7
143.08505	6.5
145.10104	10.0
147.08029	5.9
147.11685	5.9
149.09586	8.2
151.07524	76.6
153.05461	9.7
156.09296	4.2
157.10112	4.6
159.07982	4.6
159.11655	5.5
161.09607	11.2
161.13304	3.0
163.07532	4.2
163.11160	4.5
165.09076	8.9
169.10124	2.8
171.11674	10.2
173.09618	3.6
173.13237	4.1
175.11180	5.2
177.09138	3.5
179.10709	2.2
181.08574	5.7
181.10030	2.6
181.12123	2.3
185.09538	2.7
187.14777	2.8
189.12729	29.7
191.10846	2.5
197.13225	3.5
199.14809	3.0
203.14287	3.4
207.13780	30.9
215.14299	3.7
217.12146	3.5
221.15466	4.7
221.65596	2.1
233.15430	5.1
237.14780	7.5
241.15904	3.1
243.13835	10.3
256.26291	10.4
261.14810	3.4
281.18866	3.7
296.02881	2.0
299.20068	12.8
317.21069	86.0
318.21536	2.8
318.29950	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	317.138
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.03931	5.8
55.01864	9.5
55.05491	2.2
57.03425	1.1
65.03928	5.2
67.05494	19.4
69.03407	3.5
69.07063	10.1
69.93159	6.9
70.06580	1.7
71.04977	1.5
73.02892	1.5
77.01871	1.0
79.05481	81.3
80.05806	2.1
80.75066	1.1
81.03407	59.2
81.07045	7.5
83.04964	2.1
91.05463	44.6
91.06036	2.4
92.05762	1.1
93.03384	4.1
93.07027	34.3
93.61680	1.1
95.01308	2.4
95.04955	37.0
95.08566	3.6
97.06506	4.8
98.21462	1.1
99.04364	1.5
103.05470	5.3
105.04516	1.4
105.07013	40.8
105.07719	1.9
107.04924	6.8
107.08577	53.3
108.08857	1.4
109.06484	4.5
109.10174	2.2
111.04427	1.1
115.05439	3.8
117.07005	11.9
118.07296	1.0
119.04894	4.1
119.08561	19.9
121.02846	21.0
121.06487	41.9
122.06830	1.4
123.04415	2.2
123.08040	1.6
125.05989	2.2
128.06200	7.6
129.06985	12.3
130.07750	2.2
131.04936	5.9
131.08536	16.6
133.06482	7.9
133.10107	28.3
134.10414	1.4
135.04387	1.7
135.08055	2.2
137.05934	3.7
141.06963	6.9
142.07762	3.1
143.08539	25.9
144.08986	1.4
145.06453	13.0
145.10112	14.5
146.07245	1.1
147.04388	6.0
147.08057	7.6
147.11702	1.1
149.05949	12.8
149.09546	1.4
151.07500	4.6
153.06979	4.0
154.07794	1.3
155.08521	9.0
157.06464	4.2
157.10095	13.5
159.08012	21.0
159.11629	4.4
160.08554	1.1
161.04573	2.0
161.05959	80.9
161.09590	100.0
162.06285	2.4
162.09912	4.1
165.06966	5.7
166.07722	2.3
167.07121	1.8
167.08505	8.8
168.09337	2.2
169.06465	3.6
169.10069	6.6
171.08034	10.5
171.11661	2.3
173.06001	1.1
173.09604	6.3
175.07463	5.3
177.09073	5.2
178.07729	2.0
179.08484	4.2
181.06415	1.2
181.10094	6.5
182.10808	3.9
183.08026	6.7
183.11664	6.5
185.05988	1.4
185.09595	8.0
187.07578	2.7
187.11142	1.4
191.08458	2.0
192.09315	8.7
193.10068	4.5
194.10912	1.6
195.08054	7.9
195.11650	1.3
196.08836	2.6
197.09558	3.5
197.13200	6.1
199.07483	3.1
199.11127	3.3
199.14799	1.7
201.09071	1.3
202.07689	3.0
203.10692	2.6
204.09293	1.1
205.06615	1.3
205.08495	5.0
207.11670	11.8
209.09537	3.7
209.13196	2.6
210.10429	2.1
211.07484	2.0
211.11133	9.7
217.10130	3.0
220.08728	4.7
221.09554	1.3
222.10417	1.5
225.09206	1.5
225.12708	25.2
226.13083	1.8
227.10690	3.0
227.14261	3.7
229.08514	1.3
235.11127	23.9
237.09018	2.5
237.12686	11.1
238.09782	2.0
239.07008	1.1
239.10631	1.5
243.13602	1.2
253.12213	27.0
254.12576	2.6
255.10130	1.6
255.13826	5.1
257.11679	2.2
263.10498	1.5
263.44818	1.0
271.13248	52.0
272.13571	3.4
281.11664	19.6
299.12732	51.0
300.13071	3.9
317.06458	2.9
317.13776	48.7
317.21146	2.9
318.14029	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	317.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
56.96551	9.3
57.03429	13.4
57.84882	3.0
58.99854	4.4
61.02923	79.8
67.78415	3.1
69.03407	10.3
70.06577	5.1
72.08134	7.2
73.02901	13.2
77.00889	6.9
79.00636	3.9
84.04474	3.5
84.08144	10.9
85.01385	3.5
85.02900	26.0
86.09711	7.4
91.02470	4.7
95.01933	2.8
95.08578	3.2
97.02880	9.4
98.97582	4.4
101.00856	16.8
103.02440	29.3
105.00368	6.3
110.02201	2.8
111.02931	3.0
113.00883	5.6
116.98591	4.3
117.03981	12.7
119.01901	77.6
120.02056	5.4
120.03452	7.7
121.01653	5.1
121.03477	26.8
127.03915	10.6
128.98526	3.6
129.10133	6.2
131.01871	42.8
133.03442	14.5
135.05023	17.0
136.78877	3.2
137.02919	13.6
140.03140	3.9
143.01877	17.3
144.99792	19.5
145.03448	24.1
145.04967	5.6
146.99553	22.3
147.01338	29.1
147.05019	4.4
149.02924	21.5
151.04544	3.0
154.02928	4.3
155.01875	19.3
155.05499	3.7
156.03571	5.7
156.04913	3.2
157.03464	4.9
161.01134	4.0
161.01512	4.6
161.02905	42.3
162.02943	4.8
162.52472	3.3
163.00887	5.2
163.04565	14.4
165.00668	6.3
165.02449	15.0
168.99886	9.2
169.03502	3.6
171.01352	6.5
172.99323	10.1
173.02936	41.2
174.99059	3.7
175.03404	16.1
176.02512	3.6
177.02483	12.1
179.02126	6.8
183.03442	4.0
184.03986	10.3
184.54060	3.1
185.02948	10.9
187.00885	13.8
187.04486	3.9
188.02351	3.2
189.00797	6.2
189.02408	36.9
191.00366	12.1
191.02094	3.6
191.03947	7.5
192.58951	3.1
193.00151	7.4
195.01515	3.8
195.03360	4.7
196.04152	9.0
196.99254	4.1
197.03003	4.8
199.00940	8.2
203.03963	10.3
205.01907	7.0
205.04515	20.9
205.54683	6.3
207.01697	8.7
207.03471	69.9
208.03702	6.4
208.53766	3.0
212.04025	4.3
214.05016	7.3
215.00339	20.2
215.03920	3.5
215.07503	4.5
217.01930	10.5
219.01564	4.0
219.03473	4.0
221.05022	11.6
225.02477	3.1
225.55823	6.0
227.03896	4.2
229.01936	4.8
231.03435	7.7
238.01717	3.4
242.99911	6.7
245.04964	3.6
247.03076	8.5
249.04721	3.6
251.02388	3.4
256.98911	6.5
257.01453	100.0
258.01669	8.2
259.02924	5.7
275.00043	5.2
275.02463	13.5
285.00912	30.3
289.03992	9.9
291.09055	3.7
303.01956	3.7
317.03381	13.7
317.06662	4.2
317.11526	4.7
317.21436	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	317.0649
Annotation	Carajuflavone
Peak:m/z	Relative Intensity
55.01856	0.2
55.05486	0.1
57.03413	0.2
67.01842	0.1
67.05476	0.2
68.99787	0.2
69.06997	0.1
70.06565	0.2
71.69699	0.1
72.08098	0.1
79.05458	0.1
81.07027	0.2
83.01328	0.2
84.04447	0.1
84.08095	0.2
85.02870	0.2
86.09330	0.1
86.09693	0.7
87.09993	0.1
91.05468	0.1
93.07030	0.1
95.04948	0.2
95.08583	0.2
97.02830	0.1
97.06451	0.1
99.08083	0.1
102.96600	0.1
105.03345	0.2
105.06978	0.1
107.01255	0.2
107.08539	0.1
109.02798	0.1
109.10118	0.1
115.05426	0.1
119.08595	0.1
121.02820	0.2
123.04440	0.2
127.70425	0.1
130.08588	0.1
133.10046	0.1
135.11632	0.1
144.05670	0.1
147.04416	0.1
151.03824	0.1
153.01813	0.1
155.04854	0.2
156.13811	0.5
157.13335	0.3
159.04453	0.2
161.02229	0.2
167.03368	0.8
171.04355	0.2
172.05132	0.4
177.05414	0.2
183.02856	0.1
183.04329	0.4
185.12889	0.1
189.05469	0.1
189.51312	0.1
190.02545	0.2
191.03311	0.3
194.02075	0.3
199.03862	0.2
200.04649	1.9
201.05412	0.4
202.02480	0.1
203.03386	0.4
204.04106	0.1
206.05687	0.3
207.06506	0.1
211.03929	0.6
212.04643	0.3
215.07030	0.7
216.04184	0.2
217.04936	1.6
218.02167	0.6
218.05721	0.8
219.06499	0.4
221.04498	0.2
227.03395	0.6
228.04137	7.7
229.04916	0.9
230.05774	0.5
231.02844	1.6
231.06418	0.3
233.04448	2.1
236.03122	0.1
239.03342	0.4
241.04961	0.2
242.05849	0.1
243.06483	3.3
243.86003	0.1
244.03606	0.4
244.07074	0.1
245.04401	7.5
245.08313	0.3
246.05161	1.8
247.05713	0.1
251.05502	0.6
255.03020	0.1
255.06384	0.1
256.03619	17.7
257.04272	1.3
258.05234	0.4
259.02328	2.9
259.05927	0.8
259.11063	0.3
260.02982	0.3
260.06662	0.2
261.07480	0.1
267.02945	0.2
268.03696	0.3
270.05243	0.3
271.05960	25.6
272.03091	1.5
272.06265	0.6
273.03885	6.5
273.18741	0.1
274.04654	6.3
275.04935	0.2
284.03104	5.7
285.03741	0.3
287.05444	5.8
287.10025	0.4
288.06207	5.8
289.03738	0.2
289.06863	0.8
299.05438	8.8
300.05722	0.2
302.04160	8.2
303.04575	0.2
316.25754	0.2
317.06491	100.0
318.06845	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	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
56.05026	3.7
57.03431	0.7
57.07060	1.9
60.04514	100.0
61.04843	0.6
67.05493	9.0
68.05020	1.0
69.07062	5.4
69.77102	0.8
69.77518	2.0
70.06587	1.0
70.51989	0.4
71.08623	0.8
72.04497	2.1
73.02905	0.5
74.06066	3.1
79.05481	3.8
80.05011	1.1
81.03407	0.3
81.07041	9.7
82.06576	0.7
83.04982	0.7
83.08606	3.4
85.10139	0.4
86.06071	0.6
87.04475	0.7
90.05559	1.3
91.05479	2.8
93.07017	3.3
94.06539	1.0
94.42207	0.4
95.04926	0.8
95.08588	7.1
96.08140	0.9
96.08909	0.4
97.06518	0.5
97.10156	1.0
98.06032	0.5
99.64311	0.3
102.34447	0.3
105.07012	1.4
107.08553	1.9
109.10146	3.3
111.11729	0.7
112.07597	0.8
119.08589	2.3
121.10111	2.0
123.11729	0.9
126.09141	0.4
133.10126	1.2
134.30052	0.4
135.11670	1.0
137.09648	1.0
143.08469	0.5
149.13263	0.4
151.07532	0.4
161.13235	0.4
233.22600	0.4
250.25407	1.7
262.25214	1.4
263.23831	0.5
268.26334	0.8
280.26324	11.9
281.26672	0.9
290.40558	0.4
298.27344	12.3
299.27704	1.0
316.28424	33.4
317.20975	0.6
317.28809	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	317.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50066	0.6
55.01851	1.7
56.96558	5.1
57.03425	4.3
58.06602	0.9
58.99854	2.7
61.02919	21.9
61.33831	0.7
68.98293	1.0
69.03435	4.9
69.07076	0.9
69.08911	0.7
70.06577	1.6
70.13528	0.7
70.99845	0.9
71.01331	0.8
71.69011	0.9
72.08146	4.2
73.02908	5.3
74.97595	0.7
77.00880	3.8
81.03410	2.4
82.99832	0.9
84.04481	2.4
84.08141	8.4
85.01395	2.8
85.02454	0.9
85.02898	11.7
86.09682	5.3
86.99317	2.6
87.00823	0.8
87.04457	1.0
89.00874	1.2
89.84507	0.7
91.02434	4.2
91.05485	0.6
95.01965	0.9
97.02859	4.1
98.97549	1.9
99.04467	1.0
100.02451	0.9
101.00864	9.5
101.02371	1.0
103.02432	34.0
105.00357	3.9
107.00946	0.6
109.02828	1.1
109.03489	1.7
113.00855	2.7
115.02395	2.7
115.03817	0.7
116.07063	0.9
116.98606	1.8
117.03103	1.0
117.03987	16.7
118.01103	1.2
119.01904	44.7
120.02029	1.9
120.03406	0.8
121.01622	1.6
121.03476	25.3
124.03886	0.7
126.04099	1.0
126.98780	2.5
127.02424	1.6
127.03870	4.3
128.02289	0.8
128.98567	1.5
129.00334	3.0
129.01851	0.8
129.03941	1.6
129.06541	0.8
129.10231	5.7
130.04904	0.8
131.01883	21.4
133.01602	0.8
133.03436	6.6
135.03302	0.8
135.05014	21.6
137.02936	9.0
141.06577	1.1
142.03513	1.2
143.01871	7.1
143.11644	0.7
144.04970	0.8
144.99792	12.7
145.02371	1.9
145.03433	16.5
145.04907	1.6
145.99886	1.6
146.04980	2.2
146.99582	10.2
147.01360	35.1
147.05008	2.4
148.01511	0.8
149.02939	14.2
151.04530	1.3
154.03114	0.7
155.01872	7.5
155.05498	2.1
156.03625	1.1
157.03450	2.8
159.01340	1.8
159.04990	1.0
161.01308	1.2
161.02927	26.6
162.03030	1.4
163.00885	3.8
163.04514	17.3
163.05896	0.9
165.00711	2.4
165.02441	16.4
167.01904	1.2
167.04060	2.0
168.04976	1.1
168.99817	2.6
169.03461	2.2
170.02924	1.4
171.01334	5.8
171.05028	1.9
172.95236	0.9
172.99297	9.4
173.02927	17.2
173.06548	1.2
174.03001	1.0
174.04491	1.0
174.99068	3.2
175.00847	2.0
175.03246	3.9
175.04639	2.1
175.53625	1.1
177.00854	1.5
177.02391	7.6
179.02223	1.6
179.03993	2.2
183.03511	3.6
183.04903	0.8
184.04234	1.2
185.02892	4.9
187.00854	7.9
187.04527	2.2
188.02370	1.2
188.03978	1.0
189.00690	3.1
189.02397	35.9
189.06041	2.9
190.02596	1.2
190.98750	1.1
191.00395	8.1
191.02078	1.4
191.04028	4.1
191.07635	2.1
193.00139	2.8
193.01836	0.8
195.03445	1.7
195.54820	0.9
196.03917	3.2
196.14597	0.9
196.99319	2.4
197.02968	2.8
199.00864	8.6
199.04449	0.8
200.13887	0.8
201.02489	2.0
201.06055	2.0
203.03973	5.4
205.00200	1.4
205.01859	5.0
205.04456	4.5
207.01799	3.7
207.03473	80.7
208.03662	3.0
209.03156	0.9
212.04045	5.2
213.02432	2.0
213.53499	1.1
214.05058	2.0
214.98549	1.3
215.00366	8.1
215.03941	1.9
215.07629	5.5
217.01967	4.6
218.03510	1.1
219.01732	1.5
219.03551	2.6
221.05031	6.1
223.01067	1.4
223.03032	1.7
224.03357	1.2
224.98840	2.2
225.02769	1.5
226.02197	0.8
227.00349	1.5
227.04073	1.6
227.07463	1.4
228.05643	1.4
229.01926	2.4
230.05196	3.6
231.03455	4.9
233.08691	1.0
237.02640	0.9
237.06198	1.4
239.06100	1.6
242.99896	7.8
245.01410	1.6
245.05121	1.4
247.00807	1.2
247.03123	4.5
251.02440	1.3
257.01413	100.0
258.01541	5.4
259.03003	2.3
261.04587	2.1
266.04532	2.6
266.54617	0.9
269.04489	0.8
275.02563	14.1
276.02576	1.3
285.00894	24.5
285.04108	1.4
286.01001	1.5
289.04041	5.3
291.09189	3.0
298.04132	2.3
299.05368	1.2
303.02158	4.0
309.10068	1.3
316.25784	1.0
317.03452	8.8
317.06750	2.7
317.10428	4.9
317.21616	2.5
317.25980	1.1
321.06613	1.2
326.03476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05508	5.1
56.05027	4.2
57.03419	0.6
57.07061	1.7
58.02968	0.7
59.13824	0.4
60.04517	100.0
61.04833	0.6
65.03922	0.5
67.05498	7.6
68.05018	0.6
69.07057	5.4
71.08629	0.9
72.04501	1.9
73.02909	0.4
74.06074	2.2
79.05480	3.9
80.05021	1.2
81.03426	0.7
81.07044	8.0
81.07484	0.7
82.06572	1.6
83.04987	0.4
83.08633	3.1
84.08131	0.6
84.35490	0.3
85.10169	0.4
86.06058	0.9
87.04452	0.8
88.61465	0.4
90.05569	1.1
91.04954	0.5
91.05463	2.9
93.07035	2.9
94.06554	0.5
94.53456	0.3
95.04964	0.9
95.08591	7.1
96.08103	0.9
97.06522	0.9
97.10162	1.7
98.06039	0.5
100.07604	0.6
105.07036	1.5
107.08595	2.1
108.03296	0.3
109.06558	0.6
109.10149	3.3
116.07103	0.5
119.08591	1.4
121.10128	1.4
123.08072	0.5
123.11700	0.8
133.10158	1.3
135.11673	1.0
137.09650	0.5
151.07474	0.4
182.52829	0.4
227.46317	0.4
250.25276	1.4
251.23505	0.4
262.25323	1.2
268.26367	0.4
280.26328	11.7
281.26764	0.9
298.27356	10.7
299.27722	0.9
316.28430	31.3
317.21069	0.6
317.28705	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	316.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
58.06591	3.3
66.04500	0.5
67.05478	0.7
69.03423	0.7
69.07039	1.2
70.06577	1.7
71.08620	12.6
71.70325	0.9
72.08138	2.7
73.06559	0.8
75.79780	0.5
81.03414	0.5
81.07041	1.1
84.04482	2.5
84.08123	3.3
86.09690	21.5
91.05508	0.9
93.07008	0.7
97.02860	1.1
98.97592	1.3
99.08076	19.3
102.05518	5.8
109.10097	0.6
110.07155	0.7
112.07587	0.9
112.11213	0.9
116.98560	1.0
119.08548	0.8
128.10690	1.9
129.10207	0.5
130.06480	0.7
130.08621	10.1
132.10170	1.7
133.10188	0.5
137.05937	0.8
137.09573	0.6
138.05444	0.7
144.10175	7.1
149.05791	0.8
156.13811	100.0
157.13287	7.8
170.15401	1.3
173.12723	0.5
185.12857	3.9
188.07143	0.9
189.53908	0.5
194.79282	0.5
201.15962	1.9
203.13858	0.9
218.18501	0.8
221.05049	0.6
228.04204	0.7
237.02727	1.1
256.03702	0.8
271.05963	0.8
272.23386	1.3
275.09818	0.7
287.10028	1.0
298.24963	0.7
299.23221	1.9
316.05359	1.8
316.13950	1.4
316.25897	81.3
317.06589	4.8
317.10239	0.6
317.11441	0.5
317.26245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20665	1.4
55.05492	1.5
57.03419	2.9
58.06576	3.3
60.04485	1.2
67.05505	2.0
69.03402	1.7
69.06693	1.6
69.07056	24.7
70.06563	5.6
72.08146	9.5
73.06538	2.4
84.04472	1.9
84.08109	3.3
86.06065	9.1
86.09650	1.8
88.96569	1.7
97.06523	7.4
97.86119	1.4
98.06027	2.0
98.09669	3.8
100.02187	7.3
112.11221	2.9
114.09151	67.8
115.07562	12.8
116.07085	3.4
126.09111	12.0
126.19229	1.3
127.03974	1.5
128.10678	10.4
152.88963	1.3
154.12242	20.7
172.13306	67.7
174.08617	1.6
185.16440	3.2
186.14886	5.1
198.21671	1.5
202.19116	5.1
203.04828	2.1
211.14952	1.5
215.94307	1.4
289.03293	2.8
292.70862	1.4
294.39355	1.8
295.56921	1.6
298.12036	1.5
298.24896	4.4
299.23209	3.5
316.04819	1.6
316.25900	100.0
317.02856	2.3
317.11725	4.0
317.26166	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	316.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48287	1.0
52.61787	1.0
55.05500	1.5
56.96575	1.3
58.02945	3.5
58.06579	6.5
67.05504	1.0
69.03372	1.3
69.07067	1.6
70.06572	6.4
70.36699	4.1
71.08616	16.4
72.08141	35.0
84.04493	1.6
84.08133	7.5
85.02887	1.1
85.07653	3.5
86.05531	2.1
86.06052	42.1
86.09695	4.5
90.87643	1.1
91.05435	2.4
98.20842	1.1
99.08074	28.0
100.07601	3.5
100.38336	1.2
101.00588	1.8
102.05524	1.5
107.08553	1.5
110.07209	1.4
112.11237	7.1
115.04971	1.4
116.07088	1.0
116.10734	2.2
119.04897	1.2
121.02900	1.0
122.05959	1.2
123.04391	5.6
128.10680	4.2
129.10245	1.2
129.13843	1.6
130.08624	2.5
137.05942	1.8
137.08379	1.4
142.12253	4.2
143.12607	3.1
156.13812	100.0
157.13202	5.9
165.05441	7.2
170.06316	3.8
170.15373	28.5
183.24471	1.0
187.18047	3.3
227.21135	3.7
228.19531	1.2
244.23837	9.0
254.22211	6.7
255.20563	9.4
272.23273	85.5
273.23624	2.5
289.03387	2.3
298.28241	1.1
316.05228	4.6
316.25681	5.1
316.29584	1.8
317.03012	1.5
317.06564	4.3
317.10721	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	316.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
56.05016	1.6
57.07052	3.1
57.44986	1.3
58.06583	1.7
60.04515	12.7
65.03957	1.2
69.07068	2.8
70.06577	52.6
71.69004	2.5
72.04504	1.2
72.08149	21.7
84.04494	4.1
84.08132	7.6
85.06518	4.6
86.09691	60.4
87.05571	9.5
94.06535	2.7
99.02686	2.2
108.08074	2.8
112.11210	2.0
116.07069	100.0
119.07277	1.9
120.08086	1.6
122.06014	8.5
124.02183	1.3
124.07523	1.7
127.04443	1.5
128.10696	6.5
128.31416	1.3
129.10197	2.9
130.04967	2.1
133.10141	1.2
134.05907	1.4
137.08334	41.1
138.09135	7.7
140.05257	1.4
140.10678	4.0
142.06790	1.5
142.11191	2.0
142.12256	31.9
144.10149	4.5
152.05244	4.8
156.13838	1.6
170.06320	77.7
171.06567	2.3
171.14900	5.4
173.12831	43.4
173.14362	2.1
177.03207	1.6
199.14360	3.4
199.18028	5.6
201.12283	8.0
203.09206	1.4
203.13936	1.7
213.19633	2.4
227.17535	2.0
230.22377	1.6
261.03937	1.4
278.64075	1.3
289.03354	6.1
298.24838	1.6
316.05042	3.8
316.13651	2.4
316.25870	28.6
317.02878	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	316.2228
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
52.55759	0.6
55.01858	0.8
55.05521	0.8
60.04520	0.7
61.36693	0.5
67.05484	1.1
69.07057	7.7
70.06580	2.3
71.04988	0.6
71.69698	0.8
72.08136	2.0
79.05460	0.8
81.07041	1.3
84.04488	1.0
84.08119	1.0
85.02912	0.6
86.06068	0.7
86.09693	100.0
87.10027	2.2
88.03977	0.6
92.58733	0.6
93.07014	1.5
93.14731	0.6
94.12298	0.5
95.08575	1.4
97.06522	1.2
98.97578	1.5
99.08086	1.2
105.07040	0.7
107.08560	1.0
109.02831	0.7
111.04433	0.7
114.09093	0.7
116.98589	0.9
119.08601	0.7
130.08621	1.2
132.10176	5.7
134.99644	0.9
137.06007	2.0
151.07518	0.7
156.13837	5.2
157.13344	38.4
158.13690	0.7
177.00760	1.0
185.12828	18.6
191.90488	0.6
199.18076	0.8
203.13893	7.2
225.11140	0.7
245.18619	0.7
272.23383	1.8
287.10202	1.1
299.10382	1.3
316.05328	1.7
316.26102	2.2
316.29666	1.0
317.06424	1.6
317.11301	1.8
317.21338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05513	0.7
58.06603	0.3
60.04521	2.3
62.26884	0.3
65.03893	0.4
67.05497	0.8
69.07046	0.9
70.06583	6.6
70.69832	1.0
72.04498	0.4
72.08146	6.0
74.00647	0.5
76.03985	0.7
79.05485	0.4
80.05006	0.6
81.03400	0.4
81.05787	0.5
81.07025	0.3
84.04494	0.9
84.08135	0.9
85.01152	0.4
85.02921	0.5
85.03999	1.7
86.09694	17.6
87.05573	1.2
90.35129	0.3
91.05471	0.9
92.01705	0.6
93.05774	1.4
94.06548	3.3
96.08132	0.4
97.01095	0.6
98.00629	0.3
98.92845	0.3
99.02654	2.8
100.07613	0.4
106.06561	1.5
107.49184	0.3
108.08092	3.7
109.08909	1.5
110.06022	0.8
110.09609	0.7
110.67118	0.3
111.02649	0.8
112.02152	0.5
113.03494	0.7
113.04201	0.6
116.07076	14.1
118.06551	1.9
119.07307	1.9
120.08046	0.7
122.06004	10.9
124.02129	0.9
124.07573	0.8
125.02921	1.3
125.04138	0.3
126.03732	2.4
127.02079	0.5
127.04500	1.4
128.10678	1.1
130.04971	1.1
131.04520	0.6
132.08034	0.4
136.07573	1.5
137.08337	46.9
138.09142	6.3
140.10684	1.3
142.03171	0.6
142.06853	1.6
142.12234	1.8
144.10094	0.8
152.05269	6.5
154.08606	4.0
170.06325	100.0
171.06601	1.1
171.14864	1.5
173.12833	6.2
177.03296	2.2
199.14354	0.8
199.18001	2.7
201.12302	1.6
203.13864	0.8
213.10469	0.4
221.86290	0.3
227.17549	1.3
255.19278	0.3
287.10333	0.4
288.02570	0.4
288.05658	0.5
289.03342	0.7
298.04175	0.5
316.05237	1.6
316.13345	0.8
316.25922	2.2
317.02768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.07
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24910	0.8
55.49581	0.7
56.96553	31.1
57.03420	1.6
61.02903	2.2
65.71096	0.8
69.03403	1.5
69.07016	1.1
69.74451	5.4
70.06586	5.7
70.98093	2.2
72.08144	3.4
72.08506	0.8
74.97604	2.9
84.04474	1.4
84.08118	2.1
84.96017	2.0
85.02879	4.2
86.09687	2.5
87.13390	0.8
88.99114	2.3
95.82362	0.8
97.02877	2.0
98.21425	0.9
98.97575	4.2
100.99126	2.2
110.97532	2.1
112.07588	1.4
116.07066	3.0
116.98630	3.1
119.00147	1.5
127.03883	1.1
128.02306	2.0
128.98602	2.1
133.01685	1.5
134.99629	2.7
136.06187	3.4
136.07549	1.3
137.05901	0.9
140.00015	0.9
141.01254	0.7
144.98056	5.0
146.99637	3.5
147.02988	0.8
148.97577	2.1
154.04926	1.2
154.07187	1.0
154.08685	0.9
155.04605	1.0
156.03290	26.9
158.99652	1.0
160.02838	1.0
161.01199	1.5
162.99124	8.7
165.00713	2.0
168.03239	8.4
172.05988	2.2
172.95284	1.5
173.12927	1.0
174.04364	59.2
177.00674	1.2
181.00200	3.7
183.14978	1.7
184.02826	1.6
186.04352	85.4
189.00716	1.3
190.98532	1.6
192.05405	13.5
197.05995	1.8
199.01221	1.2
202.03871	2.8
204.05414	100.0
205.00163	4.4
205.05611	0.9
207.03410	1.2
209.05928	5.4
212.05847	1.0
213.03340	0.9
215.07230	0.9
219.01775	1.0
222.06512	7.3
223.01234	8.5
227.06929	5.5
228.05392	38.2
230.06956	2.0
240.05386	7.1
241.02231	1.1
246.06459	35.1
251.04237	0.9
256.04861	3.3
258.06415	3.9
264.07510	1.1
269.08069	5.4
274.01559	1.2
274.05963	4.7
284.04193	1.8
298.05899	3.6
302.05051	0.9
316.07117	9.1
316.13440	1.4
316.18723	1.0
333.64288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2313
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
55.05486	4.2
57.07073	1.8
59.04978	1.8
67.05495	11.1
69.07045	4.2
70.89012	2.4
71.04971	2.9
79.05476	17.3
81.06609	1.8
81.07041	19.0
81.19483	1.1
83.04930	1.3
83.08590	3.5
85.06519	6.9
91.04922	2.0
91.05462	25.5
93.07025	33.8
95.04945	2.2
95.08586	21.1
97.06510	4.4
97.82948	1.3
98.73331	1.4
99.08054	4.0
105.07005	27.3
107.08572	36.5
109.06497	2.5
109.10149	9.9
111.08057	11.9
113.09602	2.4
115.05376	1.4
117.07007	11.1
119.08555	25.7
120.70286	1.1
121.06472	2.7
121.10117	17.4
123.08048	2.9
123.11699	1.8
123.62260	1.2
125.09614	3.1
128.06163	3.3
129.06967	7.1
130.07733	3.1
131.08534	19.4
133.06392	1.3
133.10100	20.5
135.08023	18.3
135.11641	10.9
137.09605	9.5
138.05692	1.3
138.78632	1.4
141.06973	2.5
142.07744	3.6
143.08539	15.0
144.09299	2.4
145.10085	27.8
146.10458	1.6
147.08008	2.9
147.11679	19.6
148.49773	1.1
149.09613	4.7
149.13239	3.5
151.11159	4.2
153.06931	1.7
154.07736	1.4
155.08528	7.0
156.09198	1.7
157.10097	21.7
159.11649	25.5
160.12041	1.8
161.05904	1.4
161.09541	1.5
161.13228	19.0
163.11133	4.5
163.14763	2.0
165.12717	2.7
167.08537	3.1
168.09326	2.0
169.10091	9.8
170.10899	2.3
171.11649	15.6
173.13245	10.3
175.11121	3.7
175.14865	5.7
176.01382	1.2
177.12737	1.9
179.08609	1.5
181.10042	2.4
182.10876	1.2
183.11685	8.0
185.13206	16.9
187.11163	5.0
187.14780	5.4
189.12708	8.9
189.16373	4.4
191.14285	3.7
194.10847	1.7
195.08174	1.3
195.11720	5.7
197.13245	12.3
198.13689	1.5
199.14792	11.0
201.12657	4.4
201.16383	4.2
203.14293	12.6
208.12469	1.2
209.13266	7.3
210.14056	1.8
211.14809	8.7
213.16374	6.1
215.14272	4.9
217.15811	1.9
221.13081	1.7
223.14740	11.5
225.16312	5.4
227.17958	1.9
235.14909	1.8
237.16235	5.8
239.17958	5.7
241.15857	2.5
243.17316	2.3
249.16460	1.4
250.16994	2.0
251.17831	2.7
253.19472	9.0
254.20212	1.6
255.17278	1.5
255.21053	3.9
257.18872	1.8
264.18707	2.3
269.19107	1.5
269.34720	1.2
279.21036	40.8
280.21362	2.9
283.09531	5.2
297.22089	65.2
298.22394	4.6
315.04797	1.8
315.23126	100.0
316.23392	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	315.2315
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
55.01841	1.4
55.05495	2.5
59.04992	1.3
60.80824	0.9
62.70389	0.9
67.05496	10.1
69.07047	3.6
69.45004	2.3
69.45429	9.2
71.04981	10.9
79.05480	9.4
81.07047	17.5
83.04995	2.1
83.08601	1.4
83.60451	1.1
85.06525	14.7
91.05464	10.6
93.07030	18.2
95.04948	2.1
95.08595	19.9
97.06504	5.6
97.10143	1.4
97.36524	1.2
98.20677	1.3
99.08113	1.3
102.13670	0.9
105.07011	27.5
107.04911	1.8
107.08576	21.0
109.06505	6.5
109.10134	8.4
111.08044	1.7
117.06985	4.3
119.08553	20.6
121.06413	1.3
121.10114	14.5
123.08049	47.8
123.11697	2.3
128.06184	1.9
129.06956	3.1
131.08543	14.1
133.10101	17.4
135.08044	1.4
135.11679	11.3
137.09566	2.6
142.07729	1.2
143.08521	8.7
145.10103	25.8
147.11655	16.4
149.09602	1.8
149.13234	4.8
151.11157	1.5
155.08521	3.6
156.09312	1.5
157.10088	13.8
158.10861	1.9
159.11671	17.7
161.09599	1.5
161.13235	17.4
163.11128	3.0
163.14793	4.8
169.08742	1.1
169.10040	5.6
171.11646	11.8
172.12439	1.4
173.13243	12.6
174.13939	1.0
175.11128	1.3
175.14810	3.7
177.12689	3.6
181.10124	2.1
182.10883	1.2
183.11705	7.7
185.13240	9.7
187.11086	1.4
187.14798	25.3
189.12738	4.0
191.14299	1.5
193.16002	1.3
194.10783	1.6
195.11583	1.3
197.13219	9.7
197.31769	1.1
199.14809	7.2
201.12694	2.7
201.16368	3.4
203.14296	9.6
203.18076	1.3
205.15846	14.9
209.13202	3.5
210.63104	1.2
211.14743	3.4
213.16406	5.7
215.14241	3.2
215.17961	2.3
217.15784	1.2
223.14752	4.9
225.16417	1.5
227.14323	4.6
227.17874	14.0
229.15778	2.0
231.17456	1.6
237.16301	3.6
239.17960	6.2
241.15863	12.3
245.18953	14.1
253.19475	16.3
255.17439	1.5
255.21037	9.9
257.19016	6.9
269.18979	2.2
271.20551	9.4
273.22079	7.0
279.21060	14.5
297.22104	100.0
298.22403	8.2
315.23138	97.3
315.26996	1.7
316.23508	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	315.2314
Annotation	Longithorone J
Peak:m/z	Relative Intensity
51.52332	1.3
53.03912	1.8
55.05488	5.6
57.48590	1.3
59.38280	1.1
67.05493	12.6
69.07063	6.2
71.04982	3.1
71.70610	1.5
79.05478	25.1
81.07045	23.8
83.08602	3.4
85.06542	5.8
91.05466	22.2
93.07035	32.9
95.04936	3.7
95.08597	19.7
97.06518	6.5
99.08114	1.4
103.05432	1.6
105.06333	2.0
105.07017	31.9
106.07357	1.6
107.08575	38.3
109.06487	4.7
109.10126	13.4
110.40574	1.2
111.08075	8.3
113.09696	1.1
117.07005	8.5
119.08572	26.8
121.06498	1.3
121.10129	19.1
122.48779	1.2
123.08031	4.9
128.06142	2.8
129.06972	6.5
130.07765	2.7
131.08546	21.1
133.10121	20.6
135.08049	11.5
135.11681	15.2
137.09599	6.3
141.06956	3.9
142.07735	5.5
143.08548	16.6
144.09305	2.0
145.10115	27.2
147.08008	5.0
147.11656	23.7
149.09596	5.3
149.13242	5.6
151.11220	2.9
155.07495	1.4
155.08543	9.0
156.09286	4.0
156.71722	1.4
157.10104	20.4
158.10774	1.3
159.11671	31.3
161.09584	5.1
161.13249	29.2
162.13654	1.6
163.11128	3.6
163.14832	2.9
165.06978	1.6
165.12714	2.8
167.08521	2.9
169.10098	8.4
170.10780	2.3
171.11659	17.3
173.09625	2.2
173.13268	13.5
175.11140	5.0
175.14780	11.4
177.12706	6.4
181.10107	4.7
182.10841	3.1
183.11667	9.6
184.12228	1.6
185.13245	17.0
187.11118	5.1
187.14798	7.3
189.12726	7.8
189.16402	2.0
191.14284	2.7
195.11641	7.2
197.13257	12.7
199.14801	12.3
201.12729	7.6
201.16370	5.1
203.14261	16.6
209.13255	8.1
211.14658	6.0
213.16418	4.7
215.14249	8.1
217.15753	1.4
223.14792	16.4
225.16376	4.7
227.14268	1.4
227.17915	2.7
229.15919	1.9
231.17383	2.1
237.16360	8.0
239.17943	4.9
241.15858	3.3
251.17943	4.0
253.19464	10.4
254.20061	1.7
255.17485	1.4
255.20981	4.6
258.57938	1.6
261.44928	1.3
264.18756	1.3
279.21048	62.5
280.21368	4.5
297.22098	100.0
298.22601	7.4
315.19675	2.3
315.23135	42.7
316.23532	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	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	22.5
55.05500	49.2
56.05028	9.2
57.03430	36.6
57.07061	6.8
61.02913	16.3
67.05489	16.3
68.05035	6.9
69.03423	39.2
69.07056	17.2
70.06563	9.8
71.01332	8.1
71.04977	53.8
71.05918	9.7
71.31145	5.2
72.08138	12.1
73.02902	33.3
79.05478	29.4
81.03391	18.4
81.07042	38.4
82.80840	4.7
83.05009	7.6
84.04474	5.5
84.08079	5.1
85.02896	76.2
85.06544	6.6
86.09689	11.2
87.04446	7.4
91.05471	54.5
93.07031	49.1
95.04954	19.1
95.08597	21.8
96.04503	7.0
97.02867	26.9
97.06497	10.9
103.03929	11.3
105.07013	67.2
107.04974	9.8
107.08567	54.1
109.02863	5.1
109.06512	43.8
109.10132	22.0
111.04408	6.8
111.08070	8.3
115.03913	26.1
115.05079	5.1
117.06977	16.5
119.08562	55.4
121.06480	16.8
121.10102	15.9
123.04352	6.7
123.08086	28.3
123.11678	5.1
124.21982	4.5
127.03929	5.0
129.07007	11.8
130.07848	6.0
131.04962	6.3
131.08549	33.1
133.04958	26.7
133.06477	14.3
133.10101	13.4
135.07994	13.1
135.11661	22.5
137.05934	6.5
137.09599	12.8
142.12247	21.9
143.08438	15.6
145.06531	7.5
145.10132	36.7
147.04477	5.1
147.08025	32.5
147.11653	15.9
149.09590	12.8
149.13269	4.9
151.07440	5.7
151.11159	15.4
153.12706	16.2
155.08522	8.4
156.13776	9.0
159.08002	8.7
159.11627	18.8
160.04295	6.3
161.04585	8.2
161.09604	6.2
161.13229	6.5
163.11133	21.7
165.12733	100.0
173.09579	28.5
173.13319	10.7
175.07568	8.7
175.11211	5.1
177.12766	20.7
183.07950	7.5
189.12708	18.4
191.10646	8.6
201.12794	12.4
205.12181	5.0
207.13841	11.2
213.05444	6.3
219.13797	14.1
241.04907	11.8
243.13571	5.4
257.04410	8.9
261.14886	13.9
269.04440	13.3
279.15930	14.5
287.05536	22.0
297.03925	20.7
297.16599	5.3
300.02637	18.7
315.04849	79.6
315.08020	6.5
315.17807	7.6
315.23676	27.8
316.05396	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	315.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01851	5.3
55.05502	8.0
57.03410	5.1
57.07043	1.7
60.04492	1.8
67.05495	2.7
68.30024	1.6
69.03404	7.3
69.07040	6.7
70.06561	6.0
70.79750	4.5
71.01340	2.5
71.04984	13.6
72.08141	8.8
73.02880	5.2
79.05476	5.6
81.03409	4.2
81.07047	6.9
82.35875	1.6
84.04482	6.3
84.08115	3.3
85.02886	14.3
86.09696	18.2
91.05453	7.5
91.34810	1.6
93.07043	9.2
95.04922	5.2
95.08578	3.3
97.02867	6.1
97.06499	4.5
103.03912	2.6
103.05445	2.0
105.03342	1.8
105.07024	17.7
107.08579	9.7
109.02854	3.5
109.06496	8.3
109.10122	3.9
115.03918	3.8
115.05435	1.6
117.00138	1.5
117.06994	5.4
119.08560	14.9
120.08057	2.1
121.06466	2.9
121.10084	3.9
123.04436	2.3
123.08025	6.0
128.06174	2.4
129.06982	3.2
129.10210	2.9
130.64740	1.8
131.08537	14.4
133.04941	5.6
133.06522	1.7
133.10094	4.0
135.08047	3.2
135.11676	3.9
135.30566	1.4
137.06013	1.6
137.08348	3.3
137.09520	3.3
143.08533	5.1
145.10083	4.9
147.08014	12.3
147.11639	2.5
149.09612	3.2
151.11108	4.8
153.01788	2.4
153.12711	4.1
155.08479	3.1
157.10123	1.9
159.07991	4.0
159.11659	2.2
161.09596	3.8
163.11143	6.4
165.12712	13.5
167.10426	1.5
168.09239	2.3
170.06297	7.9
171.08011	1.7
173.09552	8.1
173.13206	3.5
177.12720	6.1
183.11636	2.4
185.05948	3.8
187.11115	2.1
189.12752	4.1
190.13655	1.7
191.10651	2.2
193.08467	2.1
195.02788	2.0
195.04407	2.6
207.13739	2.1
209.11626	2.0
209.17339	2.5
213.05447	7.4
219.13794	3.3
227.17790	1.7
231.13704	3.7
241.04880	22.1
244.03641	2.0
255.11328	2.9
257.04416	13.9
258.05215	8.0
259.05908	3.1
261.14853	4.0
269.04401	28.9
270.04935	4.1
279.15720	2.5
285.03854	9.0
286.04642	7.3
287.05347	16.0
297.03857	23.0
297.16925	2.1
315.04907	100.0
315.13791	2.8
315.17734	3.1
315.28244	2.0
316.05173	9.8
316.30005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
56.68278	0.4
56.96547	0.6
57.03431	3.8
57.57233	0.4
58.99850	4.8
60.50713	0.4
61.02920	11.6
68.98277	0.9
69.03408	1.5
70.06590	1.1
70.99853	3.2
71.03941	0.8
71.04305	0.9
71.04980	0.5
73.01411	1.1
73.02918	2.3
77.00895	6.8
84.08118	1.4
85.01390	0.5
85.02913	2.6
86.99319	1.0
87.00806	1.3
89.00386	0.5
89.00843	2.3
89.08735	0.5
89.09252	0.4
91.02448	7.1
92.44810	0.4
95.01356	0.9
95.01935	2.8
97.02847	1.1
101.00858	5.1
103.02442	1.5
105.00362	2.9
107.01923	0.8
108.97052	0.5
108.97767	1.3
109.03490	3.1
112.11124	0.4
113.00851	1.2
113.02387	0.6
115.02423	3.4
115.03932	0.8
117.01890	0.6
117.04050	0.6
118.01110	0.7
119.01901	23.1
120.01994	1.4
121.03450	0.7
123.01434	0.5
126.98748	12.1
127.02390	0.8
127.03922	0.7
129.01849	0.5
129.03958	0.4
131.01868	7.6
133.02489	1.0
133.03439	6.8
135.05028	0.6
136.07637	1.0
137.02957	4.6
141.00276	0.7
142.03531	0.8
143.01880	1.5
144.99803	100.0
145.03419	5.8
145.99921	4.4
147.01369	3.4
147.02965	0.6
147.05026	1.5
149.02925	6.2
151.04498	0.8
153.06528	3.7
154.98236	1.5
155.01868	0.8
156.99823	0.5
157.03464	1.4
159.01370	8.6
159.05038	0.6
161.02948	5.8
162.02951	0.5
163.00867	23.7
163.04463	2.8
164.00975	1.1
165.02341	0.8
165.92044	0.4
166.08612	1.1
167.01888	1.3
167.03990	1.3
168.01425	3.6
168.02699	0.6
168.99760	3.3
169.03419	1.5
171.01390	1.7
171.04929	0.6
171.11360	0.5
172.99297	29.5
173.02927	2.7
173.99448	1.7
174.02638	1.1
175.00893	3.7
175.04428	0.5
176.02415	0.6
177.01067	1.5
177.02429	35.1
178.02576	1.6
179.03925	0.6
182.02777	0.9
182.04222	0.7
185.02957	1.4
187.00853	19.3
187.04396	3.0
188.00923	0.8
188.02411	1.0
189.00723	0.9
189.02299	3.8
191.00356	25.9
191.03975	2.5
192.00497	1.3
193.01962	2.1
194.08144	0.8
194.97797	0.8
195.03481	9.1
196.00871	1.5
196.03915	0.9
197.02948	2.0
199.00879	3.1
200.04027	1.5
201.02408	2.0
203.04004	1.2
205.01912	37.2
206.02078	1.8
207.03484	1.6
210.02481	1.2
211.00800	0.8
211.06625	0.6
212.98766	8.8
213.02403	1.0
213.05989	0.5
214.01881	0.6
215.00339	1.9
215.03973	0.9
216.00471	0.5
217.01955	5.2
218.03603	0.6
219.01678	0.9
219.03564	3.0
221.05154	0.7
223.02957	18.9
224.03087	0.7
227.00340	13.7
227.03923	1.1
227.54033	0.7
228.00531	1.2
228.03542	1.8
229.01953	1.3
230.99821	11.9
231.03397	0.6
231.99904	0.9
233.01404	0.9
235.02966	1.8
237.04539	1.0
240.98187	2.5
243.03510	1.1
245.01393	21.0
246.01587	1.1
246.04463	0.6
247.02980	2.6
247.06693	0.9
251.02527	2.5
254.99825	23.8
256.00085	1.1
258.99304	4.1
259.03024	1.4
261.04703	0.6
263.02469	1.9
265.04004	2.4
268.03036	1.8
268.97556	0.6
273.00885	32.4
274.01047	2.1
282.86011	0.5
282.99210	3.4
286.98849	1.2
287.02454	1.9
289.02423	0.6
291.01978	4.0
296.02527	3.1
297.74469	0.6
301.00366	13.0
301.03485	0.8
302.00571	1.4
305.03650	2.2
309.02957	1.1
315.02011	2.1
315.11942	1.0
319.01401	4.0
324.02069	0.7
333.02991	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	314.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
58.06589	3.5
60.77941	0.1
65.99283	0.1
69.88394	0.4
69.88811	0.4
70.06583	0.2
71.04971	0.8
71.08619	11.1
72.08142	6.1
81.07051	0.2
84.08125	1.6
86.09708	0.2
88.07623	0.5
98.09655	0.2
99.08077	21.1
100.07603	1.3
100.08366	0.2
112.11227	2.0
119.01316	0.1
123.04453	0.1
125.98690	0.1
127.59186	0.1
128.10698	2.5
129.13872	0.2
132.25797	0.1
142.12250	9.9
146.11707	0.2
151.03906	0.2
152.04250	0.2
155.15410	1.3
156.13812	100.0
157.14169	1.3
159.14923	0.4
171.14928	0.4
197.91064	0.1
199.18010	1.4
202.74934	0.1
216.20753	0.6
227.21165	0.8
252.15883	0.1
277.08981	0.1
296.26892	1.4
297.25287	1.8
298.10797	0.1
314.27954	78.1
315.04956	0.3
315.28345	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	314.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	11.7
58.06584	2.2
69.43909	0.4
70.26990	1.9
71.08625	0.5
72.08140	5.5
84.08119	1.7
85.06528	21.8
86.09680	1.4
99.08117	0.6
102.09140	0.5
107.99979	0.3
112.11204	2.6
114.09138	7.1
120.08035	0.9
121.08408	0.7
123.04392	0.4
141.13805	0.8
142.12244	100.0
143.12581	1.1
156.13814	9.4
213.19542	2.9
230.22209	1.1
236.20369	0.4
277.93210	0.4
289.25446	0.4
296.26950	0.5
297.25204	1.1
309.35419	0.4
314.27948	75.0
315.04523	0.5
315.28363	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.4
56.05840	1.1
57.03429	14.5
57.07066	48.5
58.03752	4.2
58.06596	1.3
58.07153	1.0
58.07402	14.5
58.07685	1.7
67.05495	8.3
68.05840	2.2
69.07063	7.8
69.50289	9.5
70.07371	1.9
71.08250	1.7
71.08622	30.5
72.08952	12.0
78.35755	0.9
78.61790	0.9
79.05455	1.2
81.07040	11.2
82.07377	5.1
83.08613	8.9
84.08932	4.1
85.10166	14.2
86.10506	6.6
89.06004	1.8
94.07383	1.2
95.08595	14.7
96.08924	10.1
97.10136	3.6
98.10473	2.0
103.07568	1.5
109.10138	5.8
110.10479	3.7
123.11673	2.4
124.11991	2.5
156.15915	0.9
195.76791	1.0
215.15312	1.0
237.49821	1.2
240.24089	4.4
258.25064	4.4
276.26041	1.0
298.10751	2.6
299.11557	2.3
299.27548	1.2
314.13821	4.5
314.27664	100.0
315.27924	1.4
321.40021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.3
57.03428	23.1
57.07066	60.4
67.05489	13.2
69.07052	9.3
71.08620	39.9
79.05492	2.2
81.07042	17.4
82.23408	0.8
83.04964	1.0
83.08611	14.2
85.06541	0.9
85.10170	21.4
89.06027	3.4
91.05496	0.8
93.07027	2.1
95.08592	22.2
97.06522	1.0
97.10160	5.9
103.07559	3.2
107.08588	1.3
109.10133	10.6
111.11718	2.0
117.09149	0.8
121.10136	1.2
123.11705	4.2
137.13220	2.6
145.10138	1.0
159.11656	0.9
239.23596	5.2
257.24710	6.0
298.27719	0.8
313.27313	100.0
314.27621	3.3
334.39294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10828	0.8
55.05502	7.6
57.03427	18.1
57.07065	61.4
67.05492	10.2
69.07059	8.8
69.75832	1.5
69.76237	4.7
71.08618	34.9
79.05470	1.0
81.07037	14.1
83.08604	10.1
83.60774	0.8
85.06540	0.9
85.10166	18.7
89.05995	3.7
92.96103	0.9
93.07033	1.1
95.08592	22.0
97.10150	5.9
99.11681	1.1
103.07554	1.9
109.10133	9.6
109.12537	0.7
121.10133	0.9
123.11707	4.6
125.13216	1.0
137.13225	2.6
157.52989	0.8
205.20068	0.9
239.23587	4.4
249.68446	1.0
257.24680	7.5
313.27301	100.0
314.27667	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	313.2367
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.15452	5.2
55.05500	18.7
57.07061	11.3
67.05488	24.7
69.07046	16.5
69.19328	5.4
70.84477	18.5
79.05468	17.0
81.03394	9.0
81.07049	31.3
83.04996	7.4
85.10155	17.7
87.15671	6.1
91.05492	11.1
93.07039	23.8
95.04956	16.2
95.08578	11.9
105.07014	13.5
107.08568	14.4
109.10146	13.6
119.08625	6.9
121.10127	6.3
131.08472	6.5
133.10147	12.6
141.89796	5.6
147.11659	9.6
151.11157	6.4
165.12747	16.4
165.32182	6.0
179.14366	6.0
267.31693	6.9
277.21655	33.6
295.22632	100.0
295.25656	9.2
313.10822	8.2
313.21561	7.1
314.13806	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	313.2366
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.99102	2.4
53.01238	2.4
53.03944	3.9
53.66982	2.6
55.01865	4.2
55.05506	18.5
57.03421	4.5
57.07071	12.3
60.04504	3.5
65.03904	3.1
67.05494	24.8
69.07059	18.6
70.06570	5.5
71.04978	5.7
71.08608	4.0
71.70210	3.0
71.70683	3.6
73.57632	2.6
79.05471	19.9
81.03411	9.7
81.07045	25.7
83.04968	7.5
83.08614	7.5
85.10175	11.4
89.40331	2.5
91.05472	15.0
93.07037	15.8
95.04957	13.1
95.08585	17.4
97.06528	5.1
97.10173	5.8
103.05458	8.6
105.07021	18.0
107.08586	11.4
109.06564	5.6
109.10122	15.0
113.09629	7.1
117.07029	4.2
119.08544	11.3
121.10143	6.9
123.08092	3.0
123.11697	3.7
125.09620	2.9
128.08328	2.9
131.04892	3.4
131.08528	7.7
133.10103	14.4
135.04381	3.0
135.11690	4.0
143.08522	5.3
145.10036	3.3
147.11667	5.9
149.09593	5.7
151.11176	4.5
157.10106	5.7
159.11697	4.5
165.12738	18.8
169.10100	4.6
171.11639	3.1
185.13336	3.4
241.08536	6.3
249.22318	3.6
268.26395	4.3
274.95450	2.9
277.21634	38.4
295.19586	5.5
295.22693	100.0
296.23013	6.9
298.10779	7.7
299.11465	3.8
313.10605	4.5
313.21555	12.7
313.27319	2.8
313.32059	3.8
314.13675	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	313.2158
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.97195	1.3
55.01852	1.8
55.05494	4.8
56.33982	1.1
56.87406	1.4
57.07070	2.2
65.03896	1.3
67.05500	7.0
69.07053	3.8
69.74662	2.1
69.75063	8.8
70.06583	19.0
71.04986	9.0
71.06904	1.7
79.05523	7.3
79.05916	1.6
81.07040	11.7
83.04960	3.3
83.08617	2.6
84.08124	2.1
85.06539	8.0
91.05479	7.9
93.07050	9.6
95.04970	2.7
95.08595	13.4
97.06522	4.6
101.02350	1.6
103.05434	1.9
105.07027	15.4
107.04989	1.9
107.08588	14.6
109.06512	18.3
109.10143	4.6
112.08752	1.2
117.07001	4.2
119.08561	13.5
121.06486	5.2
121.10125	6.4
123.08041	11.3
123.11672	1.9
128.06212	1.7
129.06970	4.2
131.04918	1.9
131.08537	11.3
133.06497	2.2
133.10109	11.7
135.08025	5.6
135.11682	4.2
136.07503	1.4
137.09624	3.3
143.08543	7.4
145.10114	14.6
147.08047	4.6
147.11684	9.3
149.09590	6.6
149.13260	1.6
151.11151	1.5
155.08522	7.9
156.09346	2.7
157.10100	10.1
159.11678	11.2
161.06007	1.4
161.09612	12.6
161.13225	4.2
162.10413	2.2
163.11111	3.0
165.06998	1.3
169.10124	6.4
171.11682	12.9
173.09587	3.0
173.13297	6.2
175.11201	3.9
179.08505	1.3
181.10130	3.9
182.10896	1.7
183.11682	8.2
185.13246	4.8
187.11192	2.8
189.12689	6.6
191.14279	4.1
193.10190	1.4
195.08043	1.6
195.10046	1.4
195.11603	7.9
197.13254	7.4
199.11066	1.9
199.14798	3.4
201.12775	4.1
201.16307	1.8
203.14195	7.5
205.15871	1.4
207.11725	2.7
209.13206	3.6
211.11386	1.7
211.14870	7.9
213.12666	2.1
213.16400	2.7
215.14314	2.9
217.15805	2.4
221.13293	4.0
223.14867	2.2
224.11966	1.6
224.15533	1.5
225.12643	2.1
225.16391	5.2
227.17874	2.0
235.14801	1.9
237.16466	7.6
239.14258	3.5
243.17465	3.8
248.15753	1.6
249.16380	1.5
251.14423	1.2
251.17821	7.1
252.18604	3.2
253.15773	3.1
253.19524	9.9
255.17426	5.2
261.32700	1.4
267.17389	2.3
267.21002	1.9
269.19040	8.2
271.20557	13.4
277.19278	9.0
277.29129	1.5
295.20514	84.2
296.20819	4.4
313.07230	1.8
313.10629	4.7
313.21576	100.0
314.13828	3.4
314.21893	5.6
333.54813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2156
Annotation	16-Dehydroprogesterone
Peak:m/z	Relative Intensity
53.03933	2.1
55.01859	3.8
55.05490	4.9
57.07071	1.6
59.05004	1.6
65.03908	1.4
67.05492	12.0
68.63657	1.3
69.07049	5.7
69.41371	3.3
69.41766	14.7
70.06570	2.9
71.04979	7.9
78.11337	1.2
79.05485	13.2
81.06670	1.6
81.07050	16.1
83.04964	3.0
83.08625	1.7
85.06544	10.6
91.05450	12.9
93.07022	21.4
95.04940	5.0
95.08591	23.6
97.06493	10.0
97.10159	1.6
99.08044	2.5
105.07018	38.8
107.04931	5.2
107.08572	20.2
109.06499	9.0
109.10158	9.4
111.08066	8.4
112.08797	1.4
113.06010	8.7
115.05367	1.5
117.07007	12.2
119.08559	28.3
121.06509	4.7
121.10126	13.7
123.08051	64.2
123.11710	3.1
128.06192	2.7
129.06967	9.5
130.07741	2.1
131.08554	24.0
133.06476	4.0
133.10104	20.9
135.08035	11.1
135.11644	6.8
137.09581	8.6
141.07002	1.7
142.07756	4.5
143.08543	21.4
144.09372	3.5
145.10109	33.0
147.08020	8.5
147.11661	13.2
149.09586	7.0
149.13272	3.4
151.11180	2.4
155.08533	7.7
156.09364	7.8
157.10110	27.1
158.10521	1.5
159.08072	4.6
159.11670	37.0
161.09604	11.4
161.13251	19.4
163.11154	5.2
169.10095	12.0
170.10872	9.6
171.07962	3.1
171.11673	24.3
173.09550	10.8
173.13210	8.0
175.11172	7.5
175.14795	3.1
177.12701	4.4
181.10101	4.5
182.10857	2.1
183.11664	11.5
185.09612	2.3
185.13229	31.0
187.11131	4.6
187.14871	3.4
189.12752	7.3
191.14281	8.2
192.09270	1.6
195.11653	7.9
197.13202	9.6
199.11186	3.3
199.14813	7.9
201.12740	6.0
201.16399	4.6
203.14290	45.2
206.10934	2.8
207.11832	2.9
209.13220	5.2
211.11224	2.9
211.14775	7.2
213.12756	4.5
213.16333	3.2
215.14311	3.6
217.15817	2.8
221.13255	3.4
222.14000	1.5
223.14677	2.1
225.12750	3.3
225.16313	8.3
227.14268	1.9
229.15820	3.4
235.14824	3.5
237.16347	13.6
239.14325	5.5
241.15950	3.4
243.17363	7.2
244.51143	1.5
251.17894	6.1
253.15865	3.6
253.19492	10.9
255.17354	10.3
267.17383	2.1
267.21179	2.3
269.18964	6.2
271.17776	1.9
271.20468	9.2
277.19473	11.3
295.20514	93.7
296.20496	2.3
313.10477	2.0
313.21570	100.0
314.22086	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	313.0702
Annotation	Betavulgarin
Peak:m/z	Relative Intensity
50.01579	0.2
53.03935	1.2
55.01859	1.9
63.26426	0.2
65.03928	3.9
67.05499	1.8
68.99773	4.8
69.00136	0.3
69.03407	0.3
70.06578	0.3
70.35231	0.6
71.01335	0.3
72.08140	0.4
77.03914	0.6
78.33891	0.2
78.57782	0.2
79.01836	0.3
79.05485	7.3
81.03400	5.3
83.04966	0.3
84.08103	0.4
86.09679	0.3
89.03918	0.6
91.05459	0.8
93.03398	1.4
95.04953	13.6
97.02878	0.3
98.20827	0.2
103.05447	0.2
105.03372	0.7
105.04500	0.5
107.01281	0.6
107.04939	5.6
109.02863	12.0
110.03145	0.2
111.04421	3.2
115.05413	0.2
117.03407	0.3
119.04907	0.5
121.02847	67.5
121.03838	2.2
122.03146	0.8
123.04408	5.7
127.03889	2.3
131.04852	0.4
133.02849	0.4
134.03519	0.2
135.04395	15.5
136.06154	0.2
145.02757	0.9
147.04335	0.4
149.02312	2.3
151.03880	3.9
162.03104	0.4
163.03879	34.2
164.04207	0.6
165.01797	0.3
165.07047	0.2
167.03419	0.8
173.02278	0.3
175.03873	0.6
177.01816	4.1
181.04932	2.2
191.03362	79.7
192.03697	1.4
193.01299	0.5
193.04930	0.5
195.02867	8.6
197.05954	0.2
201.01796	0.2
203.87379	0.2
205.04933	1.7
209.04430	5.9
211.07541	0.4
219.02850	100.0
220.03154	2.0
221.05948	0.3
225.16763	0.2
229.04987	0.2
231.02762	0.3
237.03894	9.5
238.04079	0.2
239.07001	0.7
253.04866	0.2
257.04453	1.8
267.06451	0.5
269.04434	0.2
271.05939	0.4
273.03912	0.6
285.04337	0.4
285.07498	2.9
286.08017	0.2
295.05969	1.3
298.04599	0.5
313.07001	46.4
314.07324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.9805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93694	100.0
114.89300	21.3
174.97670	47.9
192.98639	81.4
205.04138	25.5
215.00650	18.8
216.98676	34.2
226.97981	20.1
233.01910	27.9
234.99722	56.0
243.00276	56.4
244.98215	20.2
258.99698	47.5
261.01312	63.3
262.99283	42.3
265.01987	16.5
277.00708	25.6
286.99200	33.0
312.97833	35.0
331.62817	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	313.0694
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
51.48448	0.1
53.03919	0.2
55.01849	0.2
57.03410	0.2
61.00830	0.1
65.03927	1.0
67.01827	0.4
67.05496	0.2
68.99775	0.8
69.03387	0.1
69.84888	0.5
70.06559	0.4
76.02203	0.1
81.02955	0.1
81.03403	1.6
81.48580	0.1
83.01326	0.2
83.04953	0.1
85.02890	1.2
91.05455	0.4
93.03392	0.7
95.04933	0.3
97.02828	0.2
98.71414	0.1
103.05422	0.1
105.03352	0.3
107.01273	0.2
107.04938	0.1
109.02861	1.2
110.03610	0.1
111.00801	0.1
111.04418	0.2
118.04153	0.1
119.04919	2.0
120.05740	0.5
120.08052	0.5
121.02843	7.6
122.03159	0.1
123.04439	0.1
124.01536	0.2
125.02298	0.3
127.03885	0.1
131.04843	0.1
133.02827	0.4
133.06534	0.1
135.00746	0.1
138.03084	0.9
139.03769	0.1
141.01782	0.2
142.12215	0.2
143.03346	0.1
145.02835	2.2
147.04346	0.2
149.02313	3.7
151.03857	0.4
152.01076	0.1
153.01819	1.2
153.06915	0.1
156.13843	0.1
157.06438	0.1
158.09422	0.1
163.03873	0.9
165.01808	1.2
165.06973	0.3
166.02542	0.5
167.03374	6.6
169.06406	0.1
170.02100	0.2
171.02843	0.3
173.06024	0.1
175.03787	0.1
177.01805	2.1
181.06393	0.2
182.07260	0.2
183.02832	0.5
183.08026	0.4
184.03687	0.4
185.05928	0.1
186.06645	0.1
187.03883	0.4
195.02859	4.1
196.03345	0.1
197.05943	0.3
199.07480	0.1
202.06218	0.3
209.05968	0.1
210.06686	0.2
211.07423	0.6
213.03726	0.1
213.05424	0.5
215.06989	0.3
221.05922	0.2
225.05420	0.3
227.07028	0.7
228.07735	0.5
229.02725	0.1
229.04909	1.9
238.06195	0.3
239.06975	2.0
241.04820	0.3
241.08600	0.1
242.05708	1.1
243.06464	0.4
247.06001	0.2
253.04784	0.2
255.06493	2.9
256.07248	3.3
257.07828	0.1
266.05582	0.2
267.06476	11.4
268.07065	0.5
269.04446	0.8
269.07697	0.2
270.05179	4.0
271.05618	0.2
283.05963	10.7
284.06732	18.7
285.07382	2.0
295.05948	7.0
296.06323	0.3
298.04538	0.2
313.06998	100.0
314.07324	3.7
316.05658	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	311.2573
Annotation	AS 183
Peak:m/z	Relative Intensity
52.87452	1.1
53.03929	2.3
55.01828	1.4
55.05502	67.8
55.42361	1.0
57.03164	1.9
57.03426	27.2
57.07065	35.7
64.29049	1.2
67.05485	11.0
69.07056	76.0
69.68804	6.8
71.08616	21.0
79.05486	7.1
81.07047	12.8
82.59045	1.0
83.04947	1.1
83.08605	66.1
85.06513	1.4
85.10175	7.3
93.07027	8.4
95.08587	8.7
97.06499	8.4
97.10152	47.5
107.08598	8.2
109.10136	3.6
111.08048	2.0
111.11703	12.8
112.00127	1.0
113.09695	1.1
118.64600	1.0
121.10125	9.8
123.11646	2.6
125.09628	2.5
125.13234	3.7
135.11684	6.4
139.11211	1.2
149.13248	2.6
153.12737	1.4
163.14780	1.3
219.21004	2.0
237.11038	1.2
247.23798	1.1
257.14142	1.3
290.21811	1.2
295.07886	1.1
301.02545	1.2
311.25742	100.0
312.25931	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.64064	0.8
53.03926	1.5
55.01848	2.0
55.05503	68.7
56.05829	1.2
56.52600	0.9
57.03159	1.7
57.03425	23.0
57.06800	2.0
57.07066	31.4
67.05497	12.2
69.07057	71.8
71.04974	1.2
71.08250	1.3
71.08624	19.3
73.02890	2.4
75.54758	1.0
79.05479	5.5
81.07043	14.6
83.04974	1.9
83.08607	60.5
85.10165	7.3
90.60665	0.9
93.07035	9.5
95.08596	9.4
97.06525	6.4
97.10152	44.0
103.72895	1.0
107.08582	5.9
109.10130	4.8
111.08055	2.7
111.11718	12.4
115.07493	1.1
121.09406	1.0
121.10146	7.4
123.11691	2.4
125.09612	2.5
125.13257	2.9
129.12769	1.2
135.11667	6.5
139.11166	2.0
142.72360	1.0
149.13219	2.9
151.49352	1.0
163.14745	1.7
219.21013	1.7
284.35132	1.1
311.25757	100.0
312.26077	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	311.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01853	6.8
55.05501	26.8
57.07062	8.5
65.03944	5.8
67.05490	56.0
69.07056	57.3
71.04987	4.3
71.21093	5.0
71.21436	6.0
76.19034	3.1
78.98949	3.0
79.05465	32.6
81.03384	8.0
81.07045	57.5
83.08611	10.8
91.05467	46.2
91.09445	3.2
93.07027	100.0
95.04947	62.8
95.08585	84.4
97.06504	31.4
105.04540	4.2
105.07016	76.5
107.08570	55.6
109.06512	16.2
109.10136	40.4
115.05412	7.5
117.07015	18.1
119.08549	74.6
121.06477	24.7
121.10135	55.0
123.08006	16.7
123.11671	14.5
128.06136	4.7
129.06985	9.7
130.07761	7.4
131.08539	26.9
133.10115	45.6
135.04410	4.3
135.08022	10.8
135.11705	19.0
137.09576	5.1
137.13255	7.6
142.07762	10.5
143.08537	16.8
144.09297	4.3
145.10101	45.5
147.07915	3.9
147.11658	17.5
155.08562	10.0
156.09331	6.3
157.10124	27.3
159.11670	47.0
161.09612	7.2
161.13232	10.6
162.94498	3.9
167.08627	6.4
169.10095	10.3
170.10873	4.8
171.11646	20.6
173.13284	11.8
175.14774	11.6
177.16399	16.1
181.10059	4.9
183.11720	13.2
185.13251	9.4
187.11153	5.1
187.14825	8.5
189.16385	13.8
193.10115	6.4
195.11649	6.7
197.13281	9.5
199.14777	7.6
201.16383	10.2
203.17838	5.1
209.13261	7.9
211.14738	6.7
213.16385	4.2
215.17902	10.6
219.17346	6.0
228.19119	3.5
237.16414	6.0
255.21085	4.2
293.22491	8.4
311.23495	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	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.6
55.05508	39.4
57.07067	35.4
67.05493	59.0
69.03399	5.8
69.07053	26.9
70.25205	4.0
71.08617	8.7
71.70487	6.7
79.05489	34.2
81.03405	4.0
81.07039	63.4
83.04971	21.9
83.08600	27.6
85.02869	4.4
91.05460	35.5
93.07032	40.0
95.04958	21.2
95.08583	45.9
96.03658	4.0
97.02863	4.3
97.06508	13.6
97.10156	14.3
99.04444	4.9
99.08108	8.5
105.07013	23.9
107.04930	14.8
107.08573	41.5
109.02916	4.2
109.06525	11.5
109.10179	22.3
111.04422	36.0
111.08068	12.5
117.07001	7.1
119.08594	24.6
121.06497	5.9
121.10167	20.2
123.08073	5.6
123.11705	8.3
125.06001	10.3
125.09604	6.4
131.08565	12.4
133.10117	33.0
135.08080	7.6
135.11678	20.2
137.05937	5.9
137.09605	12.4
145.10036	21.2
147.08118	4.9
147.11699	17.1
149.09610	20.7
153.05438	17.8
153.12762	5.1
157.10101	9.2
159.11681	14.7
161.09689	5.4
161.13277	5.5
163.11157	19.9
168.97948	4.3
169.10158	5.5
171.11740	5.7
173.13187	8.9
174.64305	4.5
175.11270	5.5
177.12886	4.6
181.04961	5.5
181.12242	11.0
191.08760	6.1
191.10683	19.9
193.04951	5.7
207.00996	4.7
209.11708	100.0
223.13268	12.0
237.11154	67.5
239.18002	6.3
255.12253	13.8
257.18948	7.8
275.19995	67.2
293.20966	48.7
311.19943	11.5
311.24966	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	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.38964	0.5
54.92542	0.4
55.01866	2.1
55.05502	12.0
57.03405	0.7
57.07053	0.6
65.03905	0.6
65.27003	0.4
67.05495	6.6
69.03406	1.3
69.07058	3.2
71.04995	0.7
71.08248	0.7
71.08620	9.9
71.71593	0.6
79.05481	5.5
81.03385	0.9
81.07041	6.5
83.04972	1.3
83.08607	7.0
85.06492	0.6
91.05460	2.2
93.07024	4.1
95.04979	2.2
95.08592	2.7
97.06489	0.6
97.10155	11.0
99.08080	6.7
105.06998	1.7
107.04938	1.8
107.08571	2.9
108.05701	1.0
109.06495	1.6
109.10146	1.3
111.04393	0.9
111.08054	0.5
111.49465	0.4
117.06982	1.1
119.08607	0.5
121.06480	5.9
121.10138	1.0
123.08053	0.8
125.09614	6.3
131.08519	0.9
133.10085	1.2
134.98857	0.4
135.08022	1.4
135.11644	1.1
137.09605	0.5
143.10655	0.5
145.39969	0.4
147.11641	0.8
149.09590	0.8
149.13260	0.9
151.11125	1.2
153.05486	0.9
153.09087	0.6
156.58408	0.4
157.52214	0.4
159.11636	0.7
161.09586	0.5
163.11150	0.5
164.11902	0.6
165.12679	0.8
167.10640	0.7
171.04347	0.4
177.12712	1.9
182.50053	0.5
189.11165	4.3
191.10641	0.6
209.11699	3.6
223.13179	0.4
237.11191	2.2
237.14821	0.8
247.20485	0.6
257.18890	1.2
275.20053	5.5
293.21060	100.0
294.21432	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03926	7.3
54.91927	7.1
55.01861	18.9
55.05508	43.9
56.52676	6.0
57.03411	17.0
57.07063	34.5
67.05495	82.1
68.85062	5.7
69.03397	8.8
69.07062	53.5
70.95490	18.1
71.04971	12.4
72.16338	6.1
79.05481	60.3
81.03403	11.7
81.07044	96.7
83.04955	24.1
83.08598	24.7
85.06538	8.1
91.05468	49.2
93.07044	61.3
95.04951	27.5
95.08594	67.6
95.38905	6.1
97.06512	24.7
97.10146	12.0
99.08090	6.8
105.07030	44.6
107.04962	10.8
107.08586	63.1
109.02862	8.1
109.06486	11.7
109.10146	43.9
111.04421	25.0
111.08076	9.5
117.06979	11.9
119.08567	35.8
120.08944	7.1
121.10148	35.7
123.08000	13.4
123.11662	14.3
125.06008	6.4
125.09612	12.4
129.07043	6.5
130.07732	7.5
131.08513	17.9
133.10127	34.0
135.08037	14.9
135.11661	24.2
137.09605	20.8
143.08456	7.7
145.10098	35.7
147.11655	20.0
149.09602	29.2
151.11189	9.4
153.05460	14.1
154.68526	6.1
159.11678	14.5
161.13242	8.8
163.11160	27.3
173.13228	15.3
177.12886	9.4
181.12183	12.5
182.85638	6.1
189.11267	14.4
191.10677	13.4
193.12097	7.9
209.11691	97.0
223.13228	23.3
224.65741	8.2
229.19525	6.9
237.11197	68.1
239.18028	6.9
255.12256	17.4
257.19046	13.7
269.78082	7.0
275.20047	100.0
293.20807	61.3
311.25208	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.221
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01865	20.5
55.05501	25.0
57.03417	7.1
57.07060	13.8
66.60803	4.2
67.05490	66.5
69.07056	48.2
71.04990	6.1
79.05478	37.8
79.56737	3.6
81.03401	9.2
81.07040	100.0
83.04955	15.3
83.08591	17.5
91.05473	33.7
93.07030	43.2
94.07403	3.9
95.04939	28.2
95.08589	56.4
97.06509	14.7
97.10151	6.1
98.20705	6.3
99.08046	4.3
104.62629	3.6
105.07008	31.9
107.04942	12.8
107.08564	20.6
109.06483	18.0
109.10136	22.2
111.04412	6.7
111.08050	7.5
117.07014	6.4
119.08569	23.8
121.06499	6.9
121.10126	21.3
123.08050	14.6
123.11687	10.8
125.09599	8.5
131.08542	14.9
133.10110	17.5
135.08037	7.9
135.11655	8.5
137.09583	10.3
145.10123	11.0
147.11650	25.3
149.09625	12.4
149.13235	7.6
151.11142	5.3
157.10023	4.4
159.11700	11.0
161.13231	4.7
163.11081	7.8
165.12727	11.6
173.13275	6.3
177.12607	4.6
187.11183	4.9
209.11717	21.0
223.13269	4.0
227.45764	3.6
237.11125	19.3
237.14723	9.9
247.20613	4.4
257.19006	8.6
265.21594	6.7
275.20035	68.9
289.22632	4.2
293.21033	46.2
300.98831	4.1
311.22162	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	311.221
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03932	4.0
55.01857	18.5
55.05502	73.4
57.03416	4.0
57.07064	28.9
58.09451	1.9
63.60066	1.7
67.05492	41.4
69.03403	5.1
69.07057	26.5
69.76115	14.7
71.01347	2.3
71.04979	10.0
72.72948	1.9
78.41603	1.8
79.05479	41.9
81.03394	8.1
81.07045	34.6
83.04962	46.7
83.08607	37.0
85.02889	9.7
85.06541	4.6
85.12347	2.0
91.05460	22.8
93.07028	49.5
95.04949	87.9
95.08583	22.0
97.06493	8.4
97.10150	31.4
99.04469	9.5
105.07005	24.3
107.04910	11.9
107.08577	51.4
109.02832	4.4
109.06509	10.4
109.10157	16.0
111.04424	70.0
111.08049	17.0
117.06972	10.6
119.08567	18.3
121.06481	7.6
121.10126	28.1
123.08051	5.6
123.11672	2.5
125.05959	9.0
125.09599	29.0
129.06989	4.0
131.08542	17.7
133.10103	15.7
135.04445	2.2
135.08041	5.6
135.11681	13.1
137.09537	3.9
141.09131	2.6
143.08597	2.9
143.10670	3.9
145.10085	29.3
147.07993	4.9
147.11664	9.5
149.08470	4.0
149.09589	51.5
153.05420	17.1
153.09059	4.7
153.12743	11.1
157.10014	2.3
159.11671	8.6
161.09518	2.2
161.13362	2.3
163.11150	42.4
169.10135	2.6
171.10130	3.1
173.09563	2.5
175.11163	2.4
177.12688	2.6
181.04938	6.2
181.12167	18.1
187.11107	6.1
189.11166	30.4
191.10638	20.8
193.08640	2.3
193.12218	2.3
205.12346	6.2
209.11691	100.0
210.12010	3.0
211.13208	3.2
223.13264	95.8
224.13589	2.7
227.12714	3.1
229.19594	2.6
237.11185	77.9
237.14766	4.1
238.11502	3.1
239.17836	3.5
247.20522	2.2
255.12230	13.6
257.18948	9.8
275.20013	91.0
275.23047	4.6
276.20398	4.5
293.17712	3.7
293.21027	85.4
294.21414	3.5
311.18762	4.3
311.22089	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	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	4.0
53.62169	1.6
55.01868	15.1
55.05504	76.9
57.03424	4.8
57.07067	2.9
65.03925	2.0
67.05495	42.1
69.03403	9.0
69.07061	13.3
69.58645	11.9
69.59051	4.1
71.04951	2.5
71.08626	27.0
73.02868	1.6
79.05481	34.1
81.03416	25.7
81.06599	3.5
81.07041	40.8
83.04967	21.5
83.08603	45.5
85.02896	2.4
85.06512	2.1
91.05470	19.7
93.07034	23.9
95.04956	39.5
95.08611	16.8
95.18447	1.9
97.06522	10.1
97.10154	37.5
98.10493	2.1
99.08076	23.7
102.62231	1.8
105.07016	12.1
107.04936	7.1
107.08577	29.3
109.06478	6.9
109.10150	15.1
109.50189	2.1
111.04440	12.7
111.08047	10.3
113.09666	2.1
113.15291	1.7
117.06985	6.5
119.08545	10.1
121.06489	5.1
121.10134	10.7
123.08025	3.8
123.11684	2.3
125.05982	2.0
125.09613	29.2
129.06976	4.4
131.08548	11.1
133.06494	1.9
133.10120	8.4
135.08025	5.7
135.11661	11.3
137.05937	1.8
139.11151	2.2
145.10109	10.0
147.11676	6.1
149.09592	13.2
149.13255	2.8
153.09077	6.4
157.10086	5.6
159.11681	7.4
161.13193	2.4
163.11163	56.9
165.12737	5.9
167.10638	6.5
173.11850	2.0
173.13297	2.3
175.11194	3.7
177.12735	5.5
181.12234	3.3
185.11716	2.6
189.11200	15.6
191.10663	3.1
193.12263	16.2
195.13736	19.8
195.15141	1.9
202.20552	1.9
211.13269	9.9
223.13275	10.8
224.24490	1.8
247.20595	5.3
257.18921	5.1
275.20016	25.3
293.21094	100.0
294.21356	4.6
311.22202	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03913	7.2
55.01870	9.5
55.05504	43.5
57.03425	10.1
57.07067	6.3
59.05022	4.3
60.74793	3.4
67.05144	6.0
67.05492	100.0
69.03406	5.6
69.07062	34.5
69.52444	35.4
71.04967	7.9
79.05481	52.7
81.03408	8.4
81.07047	75.5
83.04966	10.4
83.08611	27.7
85.06499	9.6
88.60452	3.8
91.05451	38.5
93.07027	56.1
95.04949	14.9
95.08592	61.5
97.02828	4.5
97.06528	7.8
97.10157	32.7
99.08044	4.7
100.93766	3.4
105.07022	39.4
107.04942	12.5
107.08566	43.0
109.06496	13.5
109.10152	61.2
111.04459	5.9
111.08052	8.9
117.06990	15.5
119.08566	34.4
121.06489	6.3
121.10133	35.9
122.03639	4.4
123.08029	12.5
123.11713	7.3
125.09624	31.1
129.07016	6.0
131.08568	18.9
133.06470	5.2
133.10086	18.3
135.08029	5.6
135.11659	18.5
137.05962	60.5
137.09581	11.6
139.11151	6.1
143.08505	3.9
145.10075	18.2
147.11650	15.3
149.05984	5.2
149.09622	10.7
149.13261	6.4
155.08525	5.8
157.10107	8.2
159.07996	4.0
159.11652	7.8
161.05879	6.0
161.13277	4.7
169.10112	5.9
171.11664	5.6
173.11723	10.7
173.13234	9.1
175.11221	4.0
177.12706	4.2
187.07504	21.0
189.11227	15.1
190.07788	12.9
191.08527	22.3
201.16342	11.3
205.06531	5.8
207.07961	7.3
208.08778	5.5
218.07152	9.9
219.08064	43.4
219.17328	7.2
220.08742	4.5
223.13208	4.4
235.07610	5.2
236.08408	7.9
247.07491	13.2
251.10632	43.5
252.11049	7.9
257.19025	8.6
265.08334	4.8
275.20010	53.1
279.10153	38.7
280.10623	8.5
281.08026	5.6
293.21063	32.3
296.10403	5.0
311.05563	6.0
311.09311	6.3
311.12665	31.6
311.19852	6.8
312.13086	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	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03912	6.0
55.01852	9.7
55.05282	3.4
55.05504	48.7
57.03425	6.7
57.07069	16.6
57.89299	3.0
61.30458	2.7
62.19257	2.7
67.05146	4.0
67.05497	69.6
69.07059	38.3
69.99859	12.9
70.00272	4.6
71.04970	5.2
71.08608	8.5
79.05471	38.3
81.03397	6.4
81.07043	62.6
83.04973	16.3
83.08595	31.8
85.06519	6.9
85.10168	3.2
91.05458	27.4
91.72173	2.9
93.07034	46.4
94.06571	2.8
95.04964	20.7
95.08597	49.2
97.06520	7.6
97.10157	16.3
98.21355	4.7
99.04469	3.8
99.08057	6.5
103.54180	2.9
105.07014	31.2
107.04924	11.9
107.08560	28.0
109.06477	11.6
109.10135	35.9
111.04408	15.6
111.08055	7.1
111.82814	3.3
113.09641	4.3
117.06998	10.8
119.08569	20.7
121.06488	12.4
121.10133	18.7
123.08050	6.2
123.11666	10.3
125.09594	10.3
131.08548	14.4
133.10124	28.9
135.08043	5.2
135.11664	14.5
137.06143	3.1
137.09595	7.8
141.09053	3.3
145.10071	14.3
147.11682	8.0
149.09595	13.7
149.13222	5.5
151.11162	9.9
153.12711	5.4
159.11630	10.0
161.09497	3.5
161.13219	2.9
163.11136	12.5
167.10632	3.7
169.12238	7.3
173.09531	4.2
173.13231	4.6
175.07214	2.8
177.12729	6.0
181.12289	8.1
189.11223	4.6
191.14313	3.2
199.41629	2.9
200.78271	3.3
209.11653	21.4
223.13295	12.3
237.11101	19.6
247.20609	14.9
257.18933	8.2
261.96597	2.8
265.21576	6.6
275.20068	56.0
293.21063	100.0
294.21344	4.3
311.22168	11.9
311.25751	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
58.43688	0.7
67.05495	1.0
69.92513	5.1
79.05498	4.7
81.07032	2.6
89.38071	0.8
91.05451	5.9
93.07026	1.1
94.04175	4.9
95.04948	1.9
95.08592	1.4
98.21365	1.1
103.05440	2.2
105.03365	2.7
105.07016	6.7
105.29517	0.7
107.04913	2.3
107.08563	1.1
109.06507	4.6
115.05422	3.8
116.06281	0.9
117.06969	1.4
118.08749	0.7
119.08582	1.2
121.06509	1.9
122.03626	12.5
123.04425	1.0
128.06209	3.0
129.06993	5.5
131.04926	2.5
131.08528	1.2
133.06471	6.6
137.05957	100.0
138.06320	2.0
144.05672	4.1
145.06494	1.6
147.07988	0.8
149.05945	6.1
151.07484	1.0
155.04898	7.9
159.08026	8.0
161.05951	14.6
163.03957	0.8
165.06972	3.5
167.07018	1.4
172.05200	3.9
175.07558	4.0
179.08531	2.6
180.09322	1.6
181.06502	0.8
187.07520	28.3
188.08148	1.4
189.06995	7.6
189.09038	1.4
190.07751	27.9
191.08537	55.2
192.08945	3.4
195.08032	0.9
201.06966	1.1
202.07768	2.4
203.08521	2.3
205.06433	3.5
205.10031	1.1
207.08008	7.6
208.08833	7.5
217.06560	1.1
218.07227	16.4
219.08015	72.3
220.08664	10.3
221.05978	3.4
221.09447	0.8
222.06647	0.8
223.04237	1.1
223.11086	1.7
225.09033	1.5
229.07535	1.3
231.07912	1.5
233.09624	3.6
235.07475	8.7
236.08270	16.9
237.08992	3.0
246.06657	1.9
247.07516	29.1
248.08167	4.3
249.05382	1.0
249.09132	1.3
250.09813	1.8
251.10640	94.9
252.10928	5.5
253.08586	7.5
261.09097	3.6
263.07022	1.8
264.07755	10.1
265.08521	4.4
267.10324	2.1
268.07138	1.0
268.10956	1.5
273.77759	0.8
279.10117	64.9
280.10706	7.3
281.08054	8.8
283.09702	1.6
283.13034	1.5
296.10379	10.8
297.10745	1.2
309.11053	1.1
311.12726	60.9
312.13089	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	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92284	0.7
55.01858	2.6
67.05473	1.7
69.07063	1.1
70.99842	2.5
73.02666	0.7
79.05494	4.4
81.07017	4.1
83.08594	0.8
91.05466	6.9
93.07014	2.5
94.04150	4.1
95.04942	2.2
95.08605	1.9
97.02869	0.8
103.05455	2.2
105.07018	9.0
107.04931	2.5
107.08559	1.5
109.02762	0.8
109.06506	4.7
109.10112	1.3
115.05436	2.8
116.06222	1.5
117.07014	0.9
119.08569	0.8
121.02788	0.7
121.06488	2.4
121.10126	0.9
122.03622	10.9
128.06198	2.4
129.06958	6.9
131.04904	2.4
131.08583	2.1
133.06480	5.8
135.04393	1.6
137.05957	100.0
138.06282	2.9
143.04967	0.9
144.05667	4.0
145.06490	2.3
146.03653	0.9
147.08032	0.8
149.05952	5.9
151.07520	0.9
155.04897	6.8
155.05989	1.0
156.05704	1.6
159.08031	9.5
161.05951	14.7
163.03935	0.9
165.06989	3.6
167.07011	1.9
169.06461	1.1
172.03731	0.9
172.05185	3.0
175.07504	4.2
176.14311	2.1
176.98798	0.9
179.08528	1.7
180.09361	1.6
187.07515	30.4
188.08018	1.4
189.06927	7.0
189.08575	1.2
190.07736	28.7
191.08530	53.8
192.08968	2.7
193.06575	1.4
195.08084	1.1
201.06921	1.1
202.07790	2.1
203.08546	1.7
205.06436	3.4
207.08020	6.4
208.08798	8.6
209.09691	1.4
218.07243	17.3
219.08017	71.5
220.08717	9.0
221.05911	2.9
223.11111	1.5
225.08908	1.8
229.07640	1.1
231.08052	1.0
233.09612	2.2
235.07526	9.3
236.08293	13.6
237.09032	3.0
240.07980	1.0
246.06781	2.7
247.07486	30.9
248.08153	4.4
249.05560	1.8
249.08980	1.4
251.10646	93.7
252.10942	4.0
253.08580	8.0
261.09122	4.5
263.07037	3.0
264.07788	10.6
265.08463	3.8
267.10144	1.4
268.07394	1.0
268.10852	2.0
275.20038	0.9
278.09399	1.1
279.10123	65.2
280.10742	7.9
281.08054	9.2
283.09595	2.1
283.13132	2.4
296.10385	10.7
297.10373	0.8
311.12726	56.9
312.13037	2.9
312.19452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03939	4.6
55.01857	1.3
59.62452	0.6
67.05502	0.6
69.07046	0.9
69.45325	0.5
69.91706	0.9
69.92108	2.5
70.06567	0.9
70.50897	0.4
72.08125	0.6
77.03912	1.0
79.05483	0.9
81.03401	0.5
83.00832	0.4
83.01320	0.6
83.04985	0.5
83.08600	0.4
84.04497	1.7
84.08138	1.0
85.02890	0.9
85.03542	0.5
85.04010	0.9
86.09686	0.8
88.22813	0.5
91.05440	0.6
93.07010	0.6
94.41080	0.5
95.01280	0.6
95.04960	10.7
97.02833	0.8
100.44145	0.4
105.03378	100.0
106.03726	2.0
107.04921	0.9
110.07172	0.5
113.02336	0.8
115.03909	0.5
123.04429	1.3
130.04990	1.8
130.19832	0.5
135.04384	0.7
137.05940	1.5
152.07137	1.1
168.04735	2.5
170.06339	1.4
174.51967	0.5
177.03246	1.0
209.05928	1.1
219.08080	0.6
221.57925	1.4
235.02260	0.6
237.05467	1.8
238.06976	1.0
255.06418	0.7
262.35248	0.5
265.05026	1.1
283.06033	1.4
293.04303	0.7
311.02295	0.4
311.05432	11.1
311.12802	1.2
312.05774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01856	1.7
57.03416	2.3
57.63045	1.7
67.12423	1.6
71.15379	4.0
71.15707	1.9
79.05463	7.4
81.07030	6.8
91.05462	7.0
93.07017	6.2
94.04169	6.7
95.04963	3.1
105.07000	10.0
107.04930	1.9
107.08575	2.2
109.06474	7.1
115.05499	2.0
119.08594	2.2
121.06485	2.0
121.10110	7.1
122.03622	6.7
123.11662	2.1
129.06982	7.5
131.04927	3.1
133.06467	7.1
137.05952	100.0
138.06320	2.6
144.05692	4.0
147.08032	2.3
149.05960	5.7
151.13530	1.9
155.04858	7.5
159.07994	8.9
160.03249	1.8
161.05946	11.3
165.06973	3.4
172.05125	2.3
175.07503	3.1
178.39966	2.2
179.08543	1.8
180.09378	1.8
187.07516	30.6
189.06871	6.3
190.07741	26.7
191.08530	52.7
192.09109	3.6
202.07776	2.8
205.06599	4.1
207.07976	6.6
208.08835	5.9
218.07222	14.1
219.08012	65.2
220.08650	6.7
223.22012	1.9
235.07454	9.1
236.08273	16.2
237.09052	4.2
246.06650	2.1
247.07527	28.5
248.08253	4.3
249.09137	3.1
251.10638	85.1
252.10973	4.0
253.08493	7.4
261.09137	4.5
264.07736	7.9
265.08582	5.5
279.10117	75.2
280.10706	5.6
281.08026	12.6
283.09372	1.8
283.13202	2.5
296.10342	11.8
310.11346	1.9
311.05356	5.1
311.12698	68.0
312.26260	2.2
324.99475	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	309.2419
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.03941	4.8
55.05505	18.1
55.05734	2.9
57.03417	4.0
57.07064	27.3
65.88395	3.4
67.05492	28.3
69.07042	15.5
70.01420	16.2
71.08630	6.5
73.08598	3.0
76.62920	2.6
78.90639	3.0
79.05495	29.2
81.03410	9.8
81.07047	28.7
81.12573	3.2
83.04976	10.2
83.08607	10.2
84.47163	3.0
85.10172	80.5
91.05491	26.7
93.07031	23.7
95.04955	17.9
95.08589	26.2
97.06520	6.4
97.10169	6.6
98.20657	3.0
99.08082	8.3
100.72695	3.4
105.07018	28.1
107.04929	21.9
107.08576	16.7
109.10155	7.7
113.09628	100.0
119.08574	13.6
121.10145	9.5
123.08060	5.0
125.05951	3.8
129.07024	6.3
131.08591	9.4
133.10114	5.9
135.11653	7.3
145.10049	4.3
147.11664	11.2
149.09595	25.1
151.11185	7.4
161.13263	8.4
163.11177	10.4
165.12732	77.0
175.11186	6.2
175.14862	6.6
179.14301	9.0
207.81389	3.1
221.15366	4.6
222.71295	3.5
241.19572	7.4
259.20593	7.6
277.21643	42.7
309.24310	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	309.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	46.3
57.07062	43.8
67.05488	51.2
68.62037	6.6
69.07059	86.8
70.23963	13.0
70.24355	11.0
71.08622	31.6
79.05493	17.3
81.07052	79.4
83.08616	60.1
83.81683	6.3
85.06547	16.6
85.10171	18.6
88.15587	5.6
91.35963	6.0
93.07024	15.7
95.08593	100.0
97.10155	36.5
104.51885	6.0
107.08579	13.8
109.10143	52.3
111.11700	33.4
113.09670	12.2
123.11700	24.4
125.13287	9.5
219.76093	6.6
277.21548	11.5
292.29974	7.7
309.29803	23.8
310.30792	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	309.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.0
55.01849	8.7
55.05501	29.6
57.07055	6.9
61.15733	1.9
67.05138	4.1
67.05490	50.8
69.03402	2.9
69.07056	35.1
69.36364	7.5
69.36789	17.9
71.04976	3.9
71.08605	6.8
79.05479	36.0
81.02943	4.0
81.03403	55.7
81.07038	53.7
83.04980	15.1
83.08613	11.1
85.06552	4.4
85.10180	5.1
91.05460	18.4
93.07029	45.2
95.04955	34.4
95.08596	19.8
97.06521	5.5
97.10151	10.7
99.08062	4.8
105.07020	21.4
107.08574	25.9
109.06522	11.0
109.10138	16.6
111.08083	5.7
113.09667	3.2
117.06996	2.7
119.08545	14.8
121.10122	9.5
123.08032	4.5
123.11671	6.5
125.09610	13.3
131.08530	3.6
133.10107	16.6
135.08087	6.1
135.11671	8.1
137.09647	3.2
137.13283	2.5
145.10115	4.0
147.11685	13.5
149.09607	3.3
149.13200	6.9
151.11165	47.9
153.09059	7.3
158.26146	2.1
161.13257	10.9
163.14784	2.9
165.12741	9.9
171.10164	3.7
171.11630	4.0
175.14745	6.7
177.12756	2.7
179.14316	9.6
203.12721	6.2
207.13759	4.2
231.17520	2.7
231.21001	9.2
241.19446	6.1
249.22133	4.0
259.20575	8.0
277.21567	100.0
277.24625	4.9
309.24359	3.5
320.91974	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01857	5.7
55.05507	25.1
57.03430	3.4
57.07067	35.1
60.27400	2.7
65.03917	2.6
67.05500	28.4
69.07068	12.9
70.73695	5.4
70.74100	4.4
71.04958	3.8
71.08627	2.7
79.05479	23.5
81.03410	13.7
81.07051	34.5
83.04959	8.4
83.08603	8.2
85.10171	73.2
90.58299	2.3
91.05471	30.8
93.07037	24.8
95.04978	13.8
95.08590	30.9
97.06509	7.8
97.10162	6.7
99.08081	3.9
105.06982	11.7
107.04941	16.5
107.08580	18.3
109.06437	3.5
109.10136	7.8
111.08096	5.8
113.09637	100.0
117.07005	2.6
119.08559	7.0
121.10160	9.6
123.08051	5.8
125.09600	2.5
127.11172	4.1
129.07016	4.5
131.08537	8.9
133.10077	7.6
135.11684	5.2
145.10115	4.6
147.11711	15.0
149.09581	25.1
149.13272	5.2
151.11102	5.5
157.10051	3.1
161.13286	3.7
163.11182	8.5
165.12749	72.0
167.14365	2.6
171.11682	3.5
175.11154	8.3
176.36844	2.8
179.14247	5.4
181.12245	3.3
207.13774	2.5
217.19350	3.1
221.15355	2.8
231.21138	7.1
241.19687	3.6
259.20569	7.5
277.21613	60.0
282.00110	2.9
309.24310	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.06212	2.8
53.03940	4.0
55.01852	4.3
55.05505	26.0
57.03424	4.4
57.07067	4.7
65.03923	3.1
67.05495	51.4
69.07062	17.3
70.31825	8.3
70.32243	4.7
71.04979	3.3
71.08253	3.8
71.08622	60.2
74.43475	2.4
77.03918	2.2
79.03345	2.3
79.05486	50.4
81.00774	2.3
81.03401	10.4
81.07048	58.3
83.04964	13.7
83.08596	10.6
85.06523	3.1
85.78841	2.4
91.05470	35.5
93.07028	68.4
95.04951	14.1
95.08589	36.4
97.06505	12.1
99.08083	35.5
105.07036	18.3
107.04929	8.0
107.08570	29.4
109.06462	3.0
109.10152	15.2
111.08059	3.8
113.09592	3.7
117.07011	5.7
119.08563	19.0
121.10131	31.4
123.11687	2.7
129.06953	2.6
131.08548	4.7
133.10127	10.0
135.11679	41.5
137.09602	5.0
139.11247	2.4
141.09068	4.6
143.08510	2.5
145.10065	5.0
147.11684	3.9
149.13206	12.2
151.11169	21.5
153.12753	4.1
159.11644	4.0
161.13243	9.6
163.11169	6.7
167.10777	3.2
171.11723	2.8
175.14771	3.0
177.12755	5.2
179.14282	100.0
189.12711	3.8
221.15286	4.6
241.19502	2.7
259.20557	4.7
277.21622	43.3
309.24045	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	309.2416
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.69487	1.1
53.03931	3.6
55.01862	57.8
55.05499	28.4
57.03417	2.5
57.07062	9.0
63.53705	1.3
67.05132	2.3
67.05488	28.5
69.07051	13.9
71.04984	2.3
71.08603	4.7
73.77473	1.3
79.05476	17.9
81.03396	2.9
81.07039	39.4
83.04967	13.2
83.08613	13.9
85.06513	3.1
85.09726	1.9
85.10172	16.1
91.05460	18.1
93.07030	22.3
95.04948	9.4
95.08585	27.8
97.06513	20.4
97.10158	3.6
99.08068	3.8
105.07005	13.4
107.04930	4.3
107.08565	14.0
109.06494	5.8
109.10137	11.4
111.08060	50.7
112.29491	1.2
113.09619	22.1
117.06971	2.7
119.08560	11.0
121.10116	10.7
123.08047	5.4
123.11678	5.3
125.09618	3.4
129.06912	2.2
131.08557	4.7
133.10101	14.1
135.11659	7.8
137.09540	3.1
137.13216	1.7
139.11153	4.2
143.51268	1.3
145.10123	3.0
147.08044	1.8
147.11650	12.2
149.09601	6.5
149.12135	1.2
149.13165	7.4
151.11162	7.9
151.14816	2.2
153.12759	3.9
157.10156	1.3
159.11685	1.3
161.09486	1.4
161.13228	5.4
163.11153	3.9
163.14732	1.9
165.12735	21.9
167.14262	2.2
168.42741	1.3
171.11707	3.0
173.13193	1.8
175.11101	3.6
175.14790	4.1
179.14268	5.6
185.13254	1.8
193.12427	1.5
193.15819	1.5
207.13791	2.5
221.15451	1.7
231.21074	5.8
241.19524	3.0
249.22038	9.3
259.20511	11.9
277.21567	100.0
278.21884	3.1
295.22672	5.6
306.05118	1.2
309.13464	1.5
309.24252	13.1
309.29648	3.0
314.04874	1.4
333.46545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2417
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	3.8
55.01854	9.3
55.05498	34.8
57.03419	5.2
57.07056	8.7
67.05492	67.1
69.03421	2.6
69.07057	27.6
69.35357	27.2
71.04983	3.2
71.08614	26.3
73.06538	3.0
77.21899	2.8
79.05477	53.3
81.03350	5.5
81.07040	66.6
83.04971	11.6
83.08592	21.1
85.06509	6.0
85.10129	4.3
91.05461	39.3
93.07032	58.9
95.04958	27.6
95.08014	2.6
95.08588	45.6
97.06498	16.3
97.10139	9.1
98.21439	6.2
99.08070	26.8
105.06993	25.6
107.08572	32.2
109.06487	9.6
109.10113	16.7
111.08061	7.0
117.06994	6.5
117.08435	2.4
119.08559	23.7
121.06464	3.3
121.10126	22.4
123.08060	7.4
123.11689	5.4
125.09562	6.4
129.06985	6.2
131.08536	8.9
133.10106	24.4
135.11699	16.2
137.09584	5.8
137.13251	3.5
139.07541	3.2
139.11119	9.1
143.08528	5.4
145.10081	9.7
147.11655	19.8
149.09540	2.6
149.13213	8.1
151.11143	17.7
153.12645	2.5
157.10117	5.5
159.11707	6.3
161.06662	2.2
161.09653	3.2
161.13211	14.5
163.11171	9.1
163.14804	2.6
165.12712	10.3
171.11597	5.7
175.14760	6.3
177.12843	2.3
179.14233	8.0
185.13176	3.9
193.12146	5.6
193.15793	3.9
207.13817	5.4
217.19504	3.5
221.15341	6.4
231.21010	5.8
241.19518	5.5
249.21957	5.4
259.20526	12.3
265.87115	3.1
277.21573	100.0
277.24631	5.5
278.21832	4.9
291.23126	5.9
295.22708	3.2
309.24149	29.3
310.46527	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	309.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01864	11.6
55.05502	43.0
57.03417	3.4
57.07061	6.9
65.03904	2.5
67.05137	2.9
67.05494	60.8
69.03420	3.7
69.07059	29.6
71.04996	4.5
71.08623	28.0
79.05482	49.6
81.03409	6.5
81.07043	72.6
83.04964	14.4
83.08614	19.4
83.10957	1.7
85.06523	5.8
91.05471	36.5
93.07034	57.3
93.99603	2.1
95.04955	26.5
95.08594	41.3
97.06519	16.4
97.10153	11.4
99.08081	26.2
105.07018	29.9
105.40589	1.6
107.04937	5.4
107.08588	29.0
109.06497	8.2
109.10161	20.5
111.08059	7.6
117.07028	8.7
119.08564	22.5
121.06477	3.0
121.10117	25.4
123.08031	10.0
123.11687	7.5
125.09631	5.2
127.07478	2.4
129.07008	8.3
131.08563	8.6
133.10118	20.4
135.08002	2.7
135.11668	15.6
137.09607	5.4
137.13213	3.3
139.07524	3.3
139.11165	7.2
141.12839	1.8
143.08546	3.1
145.10130	8.6
147.07983	2.8
147.11671	17.4
149.09572	2.9
149.13237	9.9
151.11163	14.9
153.09038	2.0
153.12718	6.2
157.10135	8.0
159.11642	3.4
161.09558	3.7
161.13255	14.8
163.11188	9.4
163.14745	2.8
165.12730	8.3
166.58281	1.6
170.11078	2.0
171.11665	6.0
173.13289	4.0
175.11208	4.3
175.14857	4.7
177.12721	2.2
179.14314	7.9
181.12251	2.7
185.13269	3.1
189.12686	2.0
193.12180	2.5
193.15880	3.5
203.12790	1.8
207.13734	3.0
217.19597	3.5
221.15320	3.5
231.21046	5.7
235.16833	2.3
241.19525	7.2
249.22183	4.7
259.20502	13.6
273.18314	2.5
277.21597	100.0
278.22006	3.9
291.19528	15.4
291.23154	7.3
295.22632	2.8
300.01505	1.8
309.24188	32.9
309.29825	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	309.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.9
55.01857	7.9
55.05503	55.6
57.03425	3.8
57.07048	5.3
60.71704	3.4
65.03916	3.4
67.05495	95.7
69.07058	41.7
69.96397	21.7
71.04974	6.2
71.08299	4.9
71.08624	55.6
71.55470	3.4
73.00127	3.1
75.14411	3.8
79.05477	62.6
81.03416	41.0
81.07041	75.4
82.07363	8.3
83.04983	20.5
83.08601	26.9
85.06547	9.4
91.05467	41.8
93.06497	5.9
93.07031	62.1
95.04953	28.9
95.08585	39.5
97.06508	9.9
97.10150	22.2
99.08079	49.8
100.19637	3.4
105.07011	40.5
107.04958	5.8
107.08570	50.0
109.06495	12.2
109.10155	22.2
111.08076	11.8
117.07014	10.6
119.08559	24.7
121.06454	5.6
121.10126	29.4
123.08076	5.3
123.11693	10.1
125.09608	25.8
129.06985	6.5
131.08575	6.3
133.10069	21.7
135.08028	12.8
135.11655	23.6
145.10086	11.8
147.11673	20.5
149.13235	13.8
151.11159	51.3
152.89691	3.7
153.09125	8.3
159.11658	4.3
161.13261	19.9
163.11159	15.1
163.14799	6.9
165.12633	6.8
171.11694	6.7
173.13126	4.9
175.14824	8.1
177.12779	4.1
179.14311	13.9
185.13197	6.9
195.13606	3.8
203.12781	17.7
203.14548	5.2
207.13684	4.9
217.19388	3.7
231.21068	7.7
241.19470	16.0
259.20490	19.0
277.21585	100.0
309.24103	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03926	5.8
54.96562	2.2
55.01862	22.3
55.05503	98.2
57.07077	2.9
67.05497	64.2
69.03400	2.7
69.07056	28.9
70.88940	5.0
70.89326	5.4
71.04971	7.2
71.08616	3.2
74.35989	2.1
79.05486	35.2
81.03403	12.0
81.07047	60.4
83.04970	14.4
83.08610	100.0
83.75433	2.4
85.06538	5.5
91.04920	3.6
91.05467	49.0
93.07032	42.7
95.04967	12.5
95.08596	42.2
97.06506	16.3
97.10141	7.9
98.20762	2.3
99.08091	6.9
105.07016	35.5
107.04933	5.4
107.08582	26.4
109.06479	9.9
109.10149	15.5
111.08071	36.2
113.09678	3.2
116.07254	2.4
117.06970	4.8
119.08569	31.3
121.06452	3.4
121.10135	25.8
123.08108	4.2
123.11679	9.9
125.09600	4.0
129.06998	7.4
129.09094	5.0
131.08539	12.0
133.10121	43.3
135.11633	14.4
137.09683	2.8
139.11192	13.9
145.10106	8.7
147.11671	39.0
147.12759	4.5
149.09641	11.2
149.13235	30.8
151.11142	12.6
157.10120	14.8
159.11638	6.8
161.13263	9.4
163.11165	3.2
163.14751	2.9
165.12744	18.5
167.14383	4.8
171.11685	4.7
173.13274	8.8
175.11195	16.7
175.14795	4.8
175.44389	2.4
177.12756	2.7
179.14301	8.2
185.13245	5.0
189.12735	3.7
193.12193	6.4
193.15933	3.7
213.29550	2.2
221.15462	4.9
233.38689	2.5
241.19460	10.5
249.22137	2.7
259.20551	11.5
277.21573	53.0
278.22052	3.3
291.19580	3.1
291.23087	3.6
295.24698	2.3
295.28006	2.3
309.24286	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	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	8.8
55.01867	20.3
55.05278	4.1
55.05503	51.0
57.03416	6.2
57.07055	4.2
59.04995	6.0
65.03923	4.4
67.05151	4.7
67.05499	86.7
69.07056	35.9
69.51313	33.5
71.04967	11.9
71.08621	45.0
78.47681	3.6
79.05484	63.8
81.03403	19.0
81.07043	100.0
83.04970	27.2
83.08612	30.1
85.06520	9.5
85.10155	5.5
91.04916	5.0
91.05460	54.7
93.07028	72.5
95.04941	29.4
95.08582	55.5
97.06509	19.3
97.10159	23.1
99.08062	43.7
105.07020	51.1
107.04906	7.4
107.08575	56.7
109.06493	12.5
109.10135	54.4
111.04424	6.7
111.08041	12.8
113.06000	4.0
113.09595	4.1
117.07000	12.3
119.08566	23.0
121.06451	8.5
121.10128	28.9
123.08041	10.3
123.11586	5.9
125.09583	24.8
127.07494	3.6
129.06950	7.2
131.08556	19.1
133.06490	7.1
133.10112	48.0
135.08063	9.9
135.11681	27.6
137.09599	8.7
139.07547	7.8
139.11142	5.2
140.25685	3.3
143.08537	8.1
145.10069	13.6
147.08020	8.3
147.11682	19.8
149.09579	6.6
149.13239	10.3
151.11154	46.0
153.09030	7.7
157.10085	5.5
161.09599	11.5
161.13205	17.5
163.11165	16.7
163.14749	3.8
165.12669	8.9
169.12183	7.6
171.11649	9.2
175.14760	7.3
179.10829	3.7
179.14328	13.1
185.13153	5.9
189.12732	4.5
203.12704	7.4
217.19521	4.3
226.51086	3.8
231.17520	5.3
231.20906	4.0
235.16824	4.1
241.19339	6.7
245.18990	5.7
255.17412	5.2
259.20432	10.5
260.83139	3.0
263.20026	10.1
273.18481	20.5
277.21619	69.3
291.19513	79.4
309.20493	9.0
309.24213	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	309.2205
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03924	7.4
55.01856	5.9
55.05495	20.0
57.03423	6.5
57.07052	3.7
60.24694	2.3
65.03917	2.1
67.05182	3.2
67.05492	33.8
69.07053	20.0
71.04942	2.4
76.17989	2.9
79.05477	36.4
81.03383	3.1
81.07039	44.5
83.04972	4.2
83.08581	6.5
91.05469	44.3
93.07031	69.5
95.04952	58.0
95.08588	44.9
97.06518	19.8
98.21484	5.4
101.34067	2.5
103.05444	5.3
105.07011	94.5
107.08582	39.7
107.63759	2.5
109.06499	12.8
109.10139	20.9
111.08099	3.0
115.05471	3.8
117.07008	15.3
119.05978	2.7
119.07742	3.7
119.08565	65.1
121.06455	11.8
121.10126	100.0
123.08039	11.7
123.11681	9.4
128.06171	7.7
129.06975	18.7
130.07776	6.6
131.08551	33.7
133.10114	42.6
135.08017	5.5
135.11703	11.2
141.06981	8.5
142.07745	14.1
143.08536	32.2
144.09282	10.0
145.06465	3.8
145.10097	50.9
147.08012	2.9
147.11673	14.0
149.09601	5.9
149.13278	2.6
153.06944	2.7
155.08521	10.3
156.09280	11.7
157.10103	35.8
158.10951	3.8
159.08029	5.5
159.11681	37.9
161.09598	5.9
161.13243	5.6
163.11119	2.3
167.08517	6.2
168.09340	5.3
169.10136	19.1
170.10786	5.0
171.11623	22.2
173.09561	4.6
173.13223	19.9
175.11159	3.4
175.14761	6.5
178.07649	2.6
178.12120	2.4
179.08478	5.5
181.10056	9.8
182.10905	5.3
183.11636	18.3
185.09673	3.1
185.13202	13.9
187.11247	11.8
187.14786	18.9
188.47800	2.7
189.16435	3.4
193.10097	6.4
194.10822	4.0
195.11670	9.8
197.13188	14.7
199.14789	9.1
201.16258	4.1
206.10841	3.0
207.11632	5.7
209.13261	11.5
211.14774	13.5
213.16328	4.6
213.33655	2.3
220.12486	2.7
221.13142	3.5
223.14809	6.2
225.16327	9.0
227.14209	2.6
234.59171	3.0
235.14803	7.1
237.16353	3.6
239.14252	3.7
239.17966	4.1
241.19411	4.2
241.95728	2.4
249.16353	4.2
253.15799	4.3
263.17731	2.6
265.19388	7.0
267.17303	2.6
281.22623	6.6
291.21091	14.1
309.22046	92.5
310.22296	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03922	5.8
53.45045	1.7
53.47286	1.9
55.01864	22.4
55.05503	43.9
57.03427	5.3
57.07069	5.0
58.95428	1.9
59.05005	2.3
65.03925	3.8
67.05495	96.4
69.03407	6.2
69.07062	36.3
71.04983	10.6
71.08617	8.2
79.05481	62.9
81.03411	10.0
81.07044	100.0
83.01344	4.2
83.04967	21.8
83.08605	15.5
85.02914	3.7
85.06520	8.7
91.05463	64.9
92.05804	2.3
93.07033	68.4
94.07275	2.1
95.04952	16.7
95.08589	35.2
95.79543	1.9
96.85022	1.7
97.02884	2.6
97.06498	10.0
97.10153	8.3
99.04429	3.8
99.08068	12.5
101.06059	2.1
103.05439	2.5
105.07016	59.9
106.07368	3.3
107.04945	8.6
107.07829	2.4
107.08575	60.0
109.06501	16.5
109.10139	76.8
111.04426	10.7
111.08059	12.7
113.05981	5.8
113.09622	3.0
116.01619	1.6
116.06241	2.0
117.06993	9.5
119.08561	24.3
121.06502	10.8
121.10136	17.9
123.08054	11.5
123.11692	13.3
125.09596	10.4
127.07532	4.0
128.06157	3.4
129.07018	6.8
131.08545	17.3
133.06522	9.2
133.10109	93.3
135.08040	8.3
135.11685	13.1
137.05983	4.3
137.09616	6.6
139.07527	9.7
143.08586	8.8
145.10115	13.9
147.08029	9.3
147.11650	8.9
149.09604	8.3
149.13147	4.0
151.11160	56.8
153.09061	3.3
157.10118	5.8
159.08005	2.1
159.11693	7.2
161.09615	13.6
161.13258	6.8
163.11140	6.2
165.12756	2.5
166.90800	1.9
167.10600	3.4
169.10077	3.2
169.12247	12.8
171.11633	4.7
173.13179	2.2
174.60732	2.0
175.11218	8.8
177.12828	2.7
179.10741	4.4
179.14328	2.7
181.08525	2.8
187.11191	2.4
189.11208	3.2
189.12743	6.9
190.13211	1.7
193.12262	3.7
199.14610	2.0
203.14449	2.0
206.23203	1.9
207.13707	2.4
213.12627	2.3
215.12729	3.6
217.19455	2.1
223.13118	2.0
227.17931	4.1
235.13199	2.4
245.18959	17.2
255.17290	4.2
263.19983	12.1
273.18442	29.1
277.21539	15.6
291.19492	65.7
292.19803	2.7
309.20596	21.1
309.23953	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03913	2.4
54.95672	0.7
55.01854	5.3
55.05503	32.4
57.03409	1.7
57.92175	1.0
59.04975	1.1
67.05498	18.5
69.03395	4.6
69.07051	15.2
69.97295	5.4
71.04982	1.6
71.08614	2.0
79.05481	20.2
81.03403	3.6
81.07046	24.8
83.04975	5.3
83.08602	15.2
85.06496	2.1
91.05466	10.4
93.07027	13.8
95.04951	5.0
95.08583	10.7
97.02907	1.1
97.06493	3.0
97.10150	22.1
98.21471	1.0
99.08033	2.1
105.07016	9.4
107.04925	4.0
107.08569	11.4
109.06454	2.5
109.10146	5.1
111.04433	3.9
111.08041	3.2
113.11407	0.9
117.07023	4.7
119.05019	1.3
119.07796	1.5
119.08558	9.5
121.06474	3.6
121.10124	7.1
123.08026	8.1
123.11652	1.2
125.09613	18.8
129.06961	1.3
131.08553	5.1
133.06482	2.9
133.10143	4.4
135.08043	3.5
135.11649	2.7
137.09583	2.5
139.07463	1.3
143.08531	3.6
143.51889	1.1
145.10062	4.4
147.08017	4.1
147.11671	4.4
151.11180	1.2
153.09088	1.7
155.05460	0.9
157.10065	2.1
159.11656	1.0
161.09615	2.2
162.10426	1.5
163.11133	2.5
165.09093	3.7
171.11658	1.6
173.50952	0.9
175.11188	3.0
189.11206	10.5
193.12300	0.9
217.12163	1.0
223.13251	2.8
245.18839	1.5
249.14751	1.3
255.17355	1.7
263.20044	1.8
273.18411	12.0
273.74860	0.9
277.21552	2.1
291.19492	100.0
292.19785	4.6
309.20490	6.4
309.23898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	4.5
55.01857	6.8
55.05503	40.6
55.47940	2.0
57.03404	2.8
57.07059	2.1
59.36193	2.1
65.03941	2.0
67.05490	27.4
69.03406	4.6
69.07053	17.8
71.04987	3.1
71.15105	2.3
71.15434	2.9
79.05476	22.0
81.03387	4.5
81.07039	34.1
83.04975	9.4
83.08607	24.0
89.42598	1.7
91.05458	16.6
93.07027	18.1
95.04935	13.4
95.08593	14.3
97.06525	5.6
97.10145	31.9
99.04463	2.0
105.07012	14.0
107.04927	4.7
107.08563	18.9
109.06457	3.9
109.10134	7.6
111.08075	3.9
117.06987	5.0
119.04853	2.2
119.08555	11.9
121.06480	5.6
121.10132	8.9
123.08067	17.0
123.11774	2.0
125.09605	25.9
129.06978	2.3
131.08536	6.2
133.10104	8.6
135.08055	6.5
135.11623	4.7
137.09567	4.2
143.08482	3.4
145.10109	6.5
147.08008	5.3
147.11630	6.6
149.09560	2.4
151.11153	5.0
155.08403	1.9
159.11555	2.5
161.09579	4.4
163.11188	3.6
164.34679	1.8
165.09087	6.3
171.11600	3.2
175.11137	2.0
181.12131	2.8
182.99684	2.3
187.14674	2.4
189.11200	15.3
189.12724	2.9
191.10602	2.9
193.12212	4.2
211.13152	3.7
223.13208	4.6
233.15323	3.9
249.14862	2.7
255.17427	3.9
263.20151	3.4
273.18451	19.0
277.21515	3.0
291.19510	100.0
292.19781	4.2
309.20554	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03925	9.2
53.93734	4.5
55.01853	27.3
55.05502	29.5
57.03425	19.2
67.05495	63.4
69.03436	5.9
69.07053	18.8
70.89265	9.2
70.89621	15.1
71.04976	10.3
71.08614	8.7
79.05483	59.5
80.97322	4.6
81.03419	13.4
81.07046	93.5
83.04964	24.2
83.08604	19.2
85.02869	6.1
85.06526	12.1
91.05459	42.0
93.07032	52.9
95.04944	37.5
95.08575	43.1
97.06508	10.0
97.10143	13.5
99.04425	5.4
99.08069	8.1
105.07007	28.6
107.04969	11.8
107.08569	30.1
108.30109	4.9
109.06511	41.7
109.10147	18.3
111.04443	37.9
111.08050	14.1
113.05993	20.2
113.09637	5.6
117.07001	19.0
119.08565	44.7
121.06490	12.8
121.10094	16.0
123.04404	5.2
123.08088	15.5
123.11754	5.0
125.09622	8.0
129.06984	7.2
131.08560	22.7
133.06573	5.9
133.10078	9.8
135.08067	24.3
135.11673	14.3
140.56319	5.4
143.08580	6.2
145.06517	9.8
145.10114	19.2
147.07980	7.4
147.11743	9.8
149.09647	7.9
153.12698	8.3
159.11658	7.4
161.09589	10.1
161.13322	9.0
163.11150	21.8
165.09140	6.6
171.11638	6.5
174.05576	5.4
179.14354	8.1
181.12221	13.7
191.10675	15.5
217.15854	6.8
223.13226	8.1
273.18417	35.0
277.21570	10.9
291.19476	100.0
302.85248	5.8
309.20554	26.1
309.23877	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03928	6.6
55.01870	13.8
55.05501	56.9
57.03424	8.9
57.07065	2.9
59.04987	5.2
67.05499	42.0
69.03414	9.7
69.07056	23.2
69.91282	14.4
70.06574	12.6
71.04983	7.0
71.08624	3.2
76.02219	4.0
79.05477	42.8
79.56993	2.3
81.03406	11.0
81.07043	100.0
83.04974	23.6
83.08611	32.1
84.04479	3.0
85.02885	5.4
85.06522	4.3
91.05460	22.4
93.07028	39.9
93.64298	2.2
95.04943	18.5
95.08590	21.6
97.06510	10.1
97.10162	49.0
98.21429	3.9
99.04457	2.7
99.08086	8.0
105.07013	22.2
107.04928	6.9
107.08568	32.8
109.06493	9.2
109.10134	14.2
110.05862	2.0
111.04425	29.7
111.08087	13.3
113.09637	2.4
114.79477	2.0
117.07002	9.3
119.08534	18.9
121.06520	10.4
121.10114	15.0
123.04464	2.6
123.08047	52.8
125.06023	4.8
125.09608	53.3
127.03914	3.1
129.06996	4.6
131.08537	12.5
133.06516	2.8
133.10085	11.4
135.08026	6.8
135.11684	9.5
137.09613	8.3
139.11195	3.6
143.08507	4.6
143.10704	3.2
145.10097	18.2
147.08029	9.6
147.11655	8.4
149.09576	4.8
151.11180	5.5
153.09090	6.2
153.12729	8.7
157.10052	4.3
159.11713	3.4
161.09624	4.3
163.11136	19.2
165.09015	10.3
171.10213	3.0
171.11711	2.6
171.41133	2.0
173.09608	4.1
175.11186	4.0
179.14192	2.7
181.12184	16.6
189.11191	60.7
189.12839	5.0
191.10597	12.9
193.12209	6.6
223.13216	7.6
227.12785	10.5
235.13042	2.4
237.18546	4.3
249.14935	3.2
255.17412	6.0
273.18503	22.1
277.21558	5.3
291.19501	88.3
292.19882	2.9
309.20532	30.6
309.23883	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03938	2.1
53.53982	1.9
54.84022	2.3
55.01864	7.7
55.05502	6.3
57.03430	43.0
67.05505	30.3
69.03403	2.7
69.07082	3.2
70.84329	6.8
70.84692	2.8
71.04964	2.8
79.05490	17.9
81.07050	14.0
82.97397	2.3
83.08613	4.0
85.06538	34.6
91.05463	13.3
93.07036	13.0
94.57887	2.1
95.04956	41.5
95.08590	8.1
96.05328	2.3
96.13871	2.4
105.07001	10.7
107.04942	4.0
107.08546	11.6
109.05759	2.4
109.06502	45.4
109.07215	3.9
113.05991	100.0
117.06997	7.8
119.08580	5.3
121.06516	2.5
121.10103	3.0
123.08040	2.7
129.06956	3.4
131.08551	9.0
133.10109	4.7
135.08032	34.8
135.11610	3.2
138.15855	2.2
143.08623	2.5
145.10065	6.7
147.08102	3.2
149.09552	3.1
157.10146	2.9
159.11731	4.3
161.09619	6.9
163.11200	3.2
200.83038	2.4
217.15871	10.0
273.18491	9.5
291.19498	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	309.2054
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.68784	3.0
53.03931	10.7
55.01860	19.2
55.05501	29.7
57.03427	36.6
57.07048	3.9
67.05495	75.1
69.03416	20.3
69.07059	25.2
70.06573	3.1
71.04987	15.6
79.05480	72.8
80.56844	2.8
81.03401	24.5
81.07046	100.0
83.04969	20.1
83.08598	11.3
85.06513	4.4
91.04917	4.9
91.05460	63.5
93.07033	69.1
95.04951	34.4
95.08016	3.8
95.08591	53.3
97.06500	24.7
97.10125	9.4
99.04426	4.1
99.08072	15.0
103.05483	3.4
105.07012	49.8
107.04937	15.9
107.08572	44.4
109.06500	32.4
109.10143	23.7
111.04420	11.4
111.08050	9.7
112.99976	4.1
113.06009	4.6
117.07011	28.1
119.08564	41.2
121.06499	12.3
121.10130	27.4
123.04385	4.5
123.08055	16.8
123.11663	6.2
125.09621	6.1
127.07567	4.0
128.06212	3.2
129.06981	13.0
131.08530	32.6
133.06488	8.1
133.10101	39.3
135.08032	23.6
135.11662	16.1
137.05943	3.1
137.09593	8.4
141.07024	4.4
143.08556	9.4
145.06497	4.5
145.10083	22.2
147.08014	8.5
147.11668	10.6
149.09589	9.8
149.13222	7.1
151.11189	10.4
153.09056	5.9
157.10115	12.5
159.11696	17.0
161.09570	8.5
163.11133	4.5
169.10124	3.5
171.11636	7.6
173.13249	5.3
175.11160	8.4
177.12700	3.9
187.11171	8.2
189.12756	4.2
189.16336	7.9
199.14792	14.4
201.12636	5.7
210.36412	3.4
214.54996	3.1
217.15881	20.6
219.13766	9.0
221.15297	5.5
233.15329	4.3
235.16864	14.6
251.16599	3.2
255.17458	4.2
263.19962	6.3
273.18378	32.7
291.19507	61.2
291.44696	3.1
309.20621	34.4
315.99100	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03927	6.8
55.01858	12.0
55.05502	46.0
57.03430	18.1
57.07053	2.3
59.59118	1.7
65.03912	3.9
67.05494	67.9
68.05817	3.8
69.03421	37.9
69.07059	29.8
70.06577	16.4
70.45634	9.0
71.04967	7.4
76.02191	3.9
79.05021	3.7
79.05481	88.4
80.05812	5.0
81.03381	12.2
81.07044	100.0
82.07356	5.7
83.04967	14.1
83.08610	23.9
85.02886	2.8
85.06533	10.0
91.05467	79.2
92.05769	4.1
93.07029	82.0
94.07336	5.6
95.01283	2.5
95.04948	25.3
95.08587	39.4
97.06523	15.6
97.10153	29.4
98.20785	2.8
99.08081	28.0
105.07008	50.8
106.07355	3.6
107.04930	10.4
107.07826	2.2
107.08578	45.0
108.05280	2.3
108.08905	3.7
109.06485	10.4
109.10146	15.9
111.04430	10.8
111.08044	9.3
115.05388	2.1
115.08227	1.9
115.61835	2.0
117.07001	21.2
119.08564	48.5
121.06466	6.9
121.10136	36.2
122.10442	2.3
123.04388	5.3
123.08047	24.8
123.11677	4.7
125.09615	20.2
126.09924	2.8
127.07494	5.8
127.08552	2.0
128.06197	2.7
129.06987	9.8
131.08528	30.0
133.06506	3.9
133.10106	48.4
133.11131	2.6
134.10440	3.2
135.08028	9.0
135.10782	2.3
135.11636	11.5
137.09572	11.4
139.11203	3.3
142.07759	2.9
143.08548	10.7
145.10092	14.7
147.07991	6.2
147.11682	10.8
149.09627	9.7
149.13239	2.9
151.11153	4.5
153.09087	3.9
157.10109	15.0
159.11607	3.7
161.09608	4.3
163.11147	15.6
165.09050	6.7
167.10594	2.0
171.11641	8.4
173.13245	4.8
175.11119	5.4
175.14754	2.3
179.10481	2.2
181.12135	4.7
189.11185	16.5
189.12665	3.3
189.16376	13.2
191.10617	5.0
193.12209	12.5
199.14763	26.9
203.12805	2.0
207.17404	2.7
216.90634	2.0
217.15839	33.1
227.12764	2.8
235.16876	11.3
242.56815	2.0
245.19089	2.0
255.17270	2.7
263.20041	2.5
273.18552	17.8
277.20599	13.0
288.69354	2.1
291.19501	57.6
292.19925	2.5
309.16931	2.0
309.20483	35.1
309.23422	2.7
311.22961	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	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.05493	3.8
57.03427	10.1
59.04966	1.1
61.02911	2.6
69.03405	4.5
69.49664	11.3
70.06572	1.7
71.01334	1.9
71.04623	1.7
71.04981	23.7
73.02892	4.9
75.04468	11.2
79.05479	1.4
79.06318	1.2
79.36085	1.3
81.03407	2.5
81.07013	2.5
83.04962	6.7
85.02889	100.0
87.04438	3.0
91.05437	2.6
93.07011	2.6
93.78763	1.3
95.04946	2.5
97.02866	4.6
98.20695	2.1
99.04393	2.0
109.02869	1.6
111.04443	3.1
116.77512	1.1
123.04366	1.5
127.03860	5.0
129.05458	20.6
145.04959	1.2
147.06483	12.0
151.04022	1.3
157.42690	1.2
171.06563	2.4
277.08484	1.4
281.04434	1.6
309.11044	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	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.4
55.05502	7.5
57.03433	13.0
57.07047	2.0
57.18419	1.5
59.04977	1.9
59.88330	1.5
61.02910	3.1
62.16382	1.5
62.96286	1.4
63.74893	1.5
67.05486	6.6
69.03428	3.3
69.07047	6.4
70.06590	16.1
71.01347	2.2
71.04614	1.9
71.04980	26.0
71.69756	3.1
73.02893	5.5
75.04470	11.1
79.05464	5.3
81.03398	5.4
81.07055	10.5
83.04959	6.9
83.08623	3.0
84.04511	1.8
84.08125	2.3
85.02892	100.0
85.06526	1.8
87.04455	2.1
87.87824	1.7
91.05441	5.0
93.07045	8.6
95.04928	2.6
95.08599	8.9
97.02852	7.5
99.04434	2.4
100.64539	1.9
105.07022	4.1
107.08559	4.9
109.02865	2.9
109.06498	1.8
109.10114	6.1
111.04415	3.7
111.08102	2.5
119.08548	3.5
121.10113	4.6
123.04357	1.7
123.11662	2.1
125.09618	2.0
127.03894	4.5
129.05464	19.1
129.06979	2.3
135.11647	2.6
137.05925	1.9
137.13208	2.0
143.86272	1.6
145.10071	1.7
147.04355	4.8
147.06497	8.3
163.14915	1.7
164.88782	1.7
175.07495	2.2
177.05432	1.8
178.07654	2.0
199.63585	1.8
206.07193	2.5
221.09564	3.3
234.06721	5.4
235.07434	2.3
249.09062	7.3
251.07010	2.4
277.08539	8.4
281.11716	6.0
294.08762	3.1
309.07712	2.1
309.11206	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	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43933	0.6
53.03935	1.5
55.05491	2.7
56.96556	1.2
57.03429	10.3
59.04999	1.2
61.02909	1.9
67.05488	2.4
68.15511	0.7
68.99789	5.3
69.03412	2.8
70.06574	0.9
70.96665	1.6
71.01342	1.5
71.04982	24.7
73.02909	3.7
75.04464	13.0
79.05476	1.1
81.03400	2.6
81.07040	1.3
83.04974	7.0
85.02891	100.0
87.04458	2.5
91.05467	3.4
93.07008	1.5
95.04941	2.9
97.02869	5.3
98.97560	2.1
99.04451	2.1
101.05999	1.3
103.03952	1.4
105.07007	0.7
107.04966	0.9
109.02868	1.6
111.04416	4.7
112.99771	0.7
116.98614	0.9
121.02850	0.8
123.04420	1.1
127.03891	3.8
128.98569	0.9
129.05460	22.1
137.02315	13.5
137.03377	1.0
139.03845	1.0
145.04926	1.8
147.06496	13.5
163.03978	1.4
163.11168	0.6
171.06551	0.6
177.05450	0.8
179.03392	4.5
193.42206	0.7
203.08571	0.9
234.22432	0.7
237.02870	1.5
249.09169	0.9
277.08508	0.7
281.08105	2.9
305.26678	0.7
309.07431	11.7
309.11111	1.8
327.07407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.33712	2.0
53.03932	6.2
55.01867	15.5
55.05503	62.7
57.03410	7.2
59.04954	2.4
67.05141	3.6
67.05490	53.3
69.03418	5.9
69.07056	22.7
70.23823	8.9
70.24243	4.4
71.04974	4.1
79.05022	3.2
79.05481	63.4
81.03384	13.5
81.07041	62.8
83.04951	6.4
83.08603	34.2
85.06521	5.3
91.05473	38.8
93.06504	3.9
93.07034	45.7
95.04954	86.0
95.08588	30.1
97.06504	6.1
97.10156	39.5
99.08061	2.5
105.06436	3.1
105.07025	35.3
107.04929	16.0
107.08576	55.3
109.06499	20.8
109.10111	15.9
109.69925	2.5
111.08051	9.5
117.06997	13.7
119.08552	30.1
121.06485	11.1
121.10108	21.6
123.08053	12.6
123.11667	5.3
125.09615	46.6
129.07013	5.1
131.08549	22.4
133.10123	25.8
135.08087	15.7
135.11690	11.2
137.09644	6.0
141.06923	3.5
143.08554	2.9
145.10095	26.4
147.08008	7.9
147.11667	12.8
149.09599	61.3
151.11095	4.3
153.09071	13.0
155.10667	3.2
157.10100	4.7
157.12144	4.2
159.11656	14.4
161.09569	3.0
161.13190	7.2
163.11156	31.0
165.12723	5.8
169.10133	6.3
171.10123	3.7
171.11543	3.8
173.13251	5.6
175.11156	3.7
177.12657	7.9
179.10687	3.4
183.11612	3.0
187.11166	7.4
193.12227	4.1
203.12685	22.1
203.14119	2.1
205.12233	6.1
219.13803	3.2
219.17351	6.0
229.19415	5.7
237.14764	15.6
239.17915	10.0
247.20509	5.6
257.18964	19.5
275.20029	100.0
276.20270	6.3
289.21698	3.5
307.22607	79.0
308.23138	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03931	3.9
55.01848	6.1
55.05501	16.6
57.03436	3.5
57.07050	3.3
65.03947	1.8
67.05496	28.7
69.03401	3.0
69.07065	25.0
71.04966	2.9
71.14821	5.5
71.15246	1.5
79.05486	23.5
81.03394	3.9
81.06606	2.8
81.07048	38.1
83.04964	6.1
83.06863	1.5
83.08602	6.4
85.06518	2.3
91.05472	21.9
92.87445	1.7
93.07035	30.1
95.04967	12.2
95.08598	26.9
97.06510	7.4
97.10121	3.4
103.05394	1.7
105.07014	25.2
107.04943	8.4
107.08578	18.8
109.06490	11.6
109.10150	9.5
117.07006	6.5
119.08560	17.0
121.06484	10.9
121.10134	11.3
123.08036	8.2
123.11707	4.0
125.09592	3.3
129.06996	1.8
131.08536	16.7
133.06514	3.6
133.10120	17.9
135.08044	7.2
135.11662	7.3
137.09589	6.3
143.08481	2.0
145.10103	11.8
147.08028	3.7
147.11661	12.3
149.09557	7.9
149.13252	3.0
151.11162	9.8
155.08545	2.1
157.10162	2.1
158.56772	1.8
159.11710	8.2
161.09616	2.7
161.13261	4.7
163.11148	6.2
165.12822	2.6
167.54097	1.7
173.13203	6.5
175.11218	1.9
175.14734	2.3
177.12721	2.5
187.11191	2.0
187.14673	2.0
191.14316	4.3
201.12743	3.3
207.13818	3.5
215.17921	2.7
219.13750	4.3
229.19469	4.5
239.18002	4.5
247.20512	8.2
257.18997	13.2
270.04187	2.1
275.20026	100.0
276.20340	3.1
289.21497	3.0
307.22638	46.2
308.23157	2.8
308.29434	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	307.226
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03927	2.1
55.01867	5.4
55.05507	8.8
57.07060	1.6
65.03919	1.2
67.05495	15.9
69.07051	7.2
71.04984	1.2
71.08614	1.6
79.05479	10.6
81.03409	3.7
81.07040	17.7
83.04951	1.3
83.08595	4.7
85.06528	1.2
91.05455	6.7
91.64445	0.7
93.07017	10.7
95.04947	8.4
95.08586	11.9
97.06519	8.1
97.10150	2.2
99.08073	1.3
105.07001	7.9
107.04932	5.3
107.08566	4.4
107.93490	0.8
108.05723	1.9
109.06511	4.9
109.10130	3.2
111.08122	0.8
117.06987	2.8
119.08559	4.1
121.06488	6.5
121.10104	2.2
123.04344	0.8
123.08032	3.1
123.11749	0.8
125.09587	2.6
131.08577	3.6
133.10126	4.2
135.08018	2.0
135.11696	2.3
137.09605	1.3
145.10086	2.4
147.11642	2.1
149.09567	2.6
149.13216	1.2
149.98199	0.7
151.11151	2.6
157.10196	0.8
159.11670	3.4
163.11124	1.4
164.11925	2.3
165.12749	2.1
173.13342	1.0
177.12698	4.3
179.14301	1.5
187.11163	1.6
203.12738	1.2
219.13640	0.8
247.20619	1.0
247.97403	0.7
251.16365	1.1
257.18939	1.1
261.64490	0.7
275.20004	10.6
307.22629	100.0
308.23019	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	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61964	3.2
53.03933	5.1
55.01864	34.4
55.05270	3.8
55.05503	45.5
57.03438	4.1
63.67451	2.8
67.05145	3.3
67.05492	53.7
69.03394	3.8
69.07053	28.3
70.23824	15.4
71.02657	3.0
79.05482	67.2
81.03393	5.9
81.07040	61.6
83.04965	9.5
83.08606	13.9
85.06506	4.3
91.05471	53.5
93.07025	52.9
95.04951	18.1
95.08590	34.5
97.06513	35.2
97.10143	19.6
98.06088	2.7
105.07016	60.8
107.04943	19.9
107.08575	81.3
109.06500	20.7
109.10133	17.4
111.08058	4.2
117.07005	21.2
119.08562	28.1
121.06482	7.8
121.10110	20.8
123.08015	9.5
123.11684	5.5
123.67365	3.1
125.09615	28.2
129.06921	3.6
131.08566	22.6
133.09151	4.8
133.10091	23.0
135.08006	11.8
135.11662	9.7
137.09581	10.2
143.08510	4.5
145.10080	20.5
147.11664	17.7
149.09604	28.8
149.13205	4.9
151.11157	9.2
153.09143	4.9
157.10106	7.4
159.11659	14.9
161.13249	5.7
163.11171	11.5
165.09039	4.5
171.11649	3.9
173.13248	10.5
187.11047	4.6
197.13200	4.8
203.12733	15.5
205.12239	3.2
229.19487	6.8
235.57501	3.8
239.17827	9.7
247.20624	4.8
248.20695	3.1
257.18964	16.2
275.20013	100.0
276.20316	5.2
289.21609	9.0
303.08563	3.4
307.22803	19.2
307.28104	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	307.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.6
55.01863	29.9
55.05503	40.2
57.03410	4.0
57.07047	2.9
64.72738	1.6
65.03905	1.7
67.05142	2.6
67.05492	47.4
68.05802	2.6
69.03417	4.3
69.07051	21.8
71.04961	3.2
73.93316	2.2
79.05479	61.7
81.03401	5.7
81.07037	51.3
83.04990	8.3
83.08614	17.9
85.06511	3.7
91.05466	34.1
93.07028	46.3
95.04949	13.1
95.08585	24.1
97.06513	34.5
97.10159	22.4
98.06008	2.3
98.20632	4.2
99.26067	1.7
103.05436	2.2
105.07011	39.8
107.04942	19.0
107.08571	81.3
107.11591	1.9
107.54297	1.8
109.06511	13.2
109.10128	16.1
111.08038	5.4
117.06984	9.6
119.08553	20.9
119.10309	1.6
121.06472	4.7
121.10125	16.2
123.08026	5.3
123.11675	5.5
125.09618	28.6
129.06978	2.6
131.08540	15.2
133.06465	2.6
133.10120	24.4
135.08061	10.9
135.11649	6.9
136.53658	1.8
137.09575	4.7
137.13101	2.8
141.06927	2.0
143.08549	2.9
145.10110	20.6
147.11667	15.5
149.09593	26.4
149.13213	3.6
151.11121	10.0
153.09076	6.3
157.10092	4.8
159.11673	13.1
161.09557	2.2
161.13168	5.3
163.11188	9.2
165.09045	3.7
169.10008	2.1
171.11652	4.7
173.13196	8.2
175.14763	2.0
177.12729	3.5
179.14224	2.1
181.12213	1.7
183.11676	2.7
187.11226	3.5
187.14807	2.9
197.13193	3.5
203.12717	18.3
229.19395	8.3
239.17917	6.3
243.25562	1.7
247.20535	9.1
257.19003	13.3
275.20010	100.0
276.20239	4.7
289.21548	9.8
304.24106	1.8
307.22699	19.2
307.28143	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	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.24546	2.4
53.03931	5.2
55.01863	25.9
55.05501	30.9
57.03421	4.6
57.07043	3.3
60.94831	1.7
65.03942	2.0
67.05491	48.9
69.03414	2.6
69.07054	21.9
69.98890	12.2
70.28062	1.8
71.04971	3.3
72.89169	1.9
76.02211	4.8
77.03915	1.7
77.12886	1.9
79.05020	3.4
79.05478	51.0
81.03393	5.7
81.07042	55.5
83.04964	5.2
83.08606	15.1
84.04501	2.1
85.06517	4.7
88.36396	2.0
91.05460	38.3
93.07027	40.8
95.04946	32.8
95.08594	29.5
97.06516	27.2
97.10141	16.2
98.21374	3.0
99.08017	3.4
102.64577	1.9
105.07007	39.2
107.04945	17.1
107.08575	59.5
109.06505	16.8
109.10132	15.7
110.62683	1.7
111.04475	2.1
111.08065	6.0
113.09653	2.9
117.06994	10.8
119.08559	28.8
119.39288	1.8
121.06474	8.7
121.10116	16.4
123.08035	10.9
123.11689	3.9
125.09615	16.5
129.06950	4.4
131.08536	16.1
133.10089	22.2
135.08005	12.2
135.11664	10.8
137.05952	8.8
137.09602	5.2
138.06284	5.3
143.08537	4.5
145.10095	18.6
147.07997	4.3
147.11673	14.4
149.09596	27.7
149.13235	6.2
151.11153	8.7
153.09082	2.1
153.12833	2.0
155.08510	2.6
156.58755	2.2
157.10109	5.5
157.12221	2.6
159.11656	15.4
161.09579	3.6
161.13210	5.7
162.02182	3.2
163.11174	16.3
165.09129	3.7
165.12738	8.3
169.10078	3.1
171.11638	6.7
173.13239	7.8
175.11192	3.0
177.12701	3.7
179.04881	3.1
181.12207	2.0
183.11658	3.4
185.13243	3.4
187.11067	4.9
187.14864	2.5
189.12674	3.1
193.12192	2.8
197.13252	3.8
201.12627	4.1
203.12747	12.5
229.19499	3.9
237.14818	2.5
239.17935	6.2
247.20529	10.4
257.18967	10.9
262.62347	2.4
275.20013	100.0
276.20374	4.1
289.18216	2.8
289.21487	6.5
294.48157	2.3
307.19397	3.4
307.22632	36.5
315.23456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
50.98955	1.0
53.03938	4.6
55.01861	4.8
55.05496	13.3
57.03427	1.3
57.07071	0.8
65.03913	1.3
67.05492	22.7
69.03410	1.8
69.07062	11.8
70.06259	3.6
73.71385	0.8
79.05476	36.0
81.03403	4.5
81.07042	100.0
83.04973	3.8
83.08609	10.0
85.06517	1.8
91.05460	17.7
93.07026	18.2
95.04955	10.4
95.08591	14.0
97.06532	5.0
97.10152	2.2
99.08067	1.5
104.27581	0.9
105.07012	19.3
107.04919	6.9
107.08582	13.4
109.06503	40.7
109.10130	7.3
111.08070	2.9
117.07009	4.1
119.08551	14.7
119.71282	0.8
121.06477	4.1
121.10131	8.5
123.08060	9.0
123.11684	2.8
125.09628	1.3
129.06995	2.0
130.07755	1.0
131.08543	6.4
133.06479	1.2
133.10120	13.5
133.32639	0.9
135.08029	3.1
135.11674	4.7
137.09642	5.0
137.13251	0.9
143.08597	1.5
145.10092	7.9
147.11671	12.9
149.09581	5.8
149.13234	5.5
151.11154	3.7
155.08536	1.2
157.10118	3.1
159.11687	6.4
161.09583	1.1
161.13303	1.7
163.11169	5.0
163.14812	2.5
165.12730	3.7
171.11681	1.5
173.09608	1.5
173.13237	3.8
175.11191	4.1
177.12729	1.2
183.11693	1.2
187.14783	1.5
187.16806	0.9
191.14276	0.9
193.12248	2.9
197.13280	1.2
201.12715	1.8
219.13835	1.4
229.19521	2.9
239.17953	0.9
242.57423	1.0
247.20549	3.1
247.91295	1.0
257.18958	5.1
275.20020	41.9
276.20291	2.0
289.21530	2.1
307.22696	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	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03922	7.4
55.01862	20.0
55.05268	2.9
55.05502	32.2
57.03415	5.9
65.03934	3.4
67.05496	57.7
69.03401	2.9
69.07053	22.3
69.43559	19.9
71.04990	4.9
76.02218	4.8
79.05479	62.7
81.03408	9.9
81.07043	63.4
83.04969	7.2
83.08604	20.9
84.04472	3.0
85.06546	4.0
87.30453	1.9
89.50153	2.0
91.04919	3.0
91.05463	40.1
93.06503	3.7
93.07031	41.5
95.04953	19.4
95.08601	33.5
97.06506	23.9
97.10154	16.3
98.20702	2.8
105.07008	45.6
107.04928	23.1
107.08575	51.2
109.06496	19.0
109.10148	17.2
111.08066	6.6
117.06991	11.2
119.08568	28.1
121.02783	2.1
121.06473	8.2
121.10115	19.2
123.04376	2.1
123.08070	11.9
123.11654	3.7
125.09609	13.1
129.06987	6.0
131.08548	18.9
133.06476	2.3
133.10109	23.9
133.48119	1.9
135.08049	12.3
135.11653	12.5
137.09598	7.7
137.13272	2.1
139.11140	2.6
143.08496	4.1
143.36620	1.9
145.10092	19.1
147.07907	3.9
147.11641	16.9
149.08510	2.4
149.09612	24.5
149.13237	5.7
151.11162	5.8
153.09062	3.1
155.08556	3.3
157.10156	4.9
159.11661	14.2
161.09523	2.4
161.13229	6.2
163.11118	14.1
165.09074	2.0
165.12708	4.1
169.10127	5.8
171.11636	4.8
173.09534	5.0
173.13301	10.0
173.14575	2.0
175.11090	3.0
177.12732	5.8
179.10744	2.3
183.11644	4.8
185.13211	2.2
187.11128	4.8
187.14796	3.0
190.01083	2.4
191.14323	4.1
197.13261	3.6
201.12749	3.0
203.12709	12.5
215.14388	2.9
229.19553	6.8
233.15442	2.5
239.17920	7.1
247.20541	9.2
257.18863	17.5
275.20013	100.0
276.20331	3.8
289.18188	2.8
289.21582	5.7
307.19156	3.1
307.22574	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	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01868	20.7
55.05505	44.1
57.03428	5.6
57.07042	2.5
65.03934	2.7
67.05494	62.8
69.03408	5.2
69.07062	24.2
69.85587	8.8
69.85997	5.4
71.04984	3.9
76.02190	2.6
76.69267	2.7
79.05484	58.3
81.03397	8.3
81.07044	56.8
83.04946	7.4
83.08612	21.1
85.06519	4.5
91.05464	36.6
93.07032	46.1
95.04946	16.2
95.08595	34.2
97.06055	2.1
97.06529	23.7
97.10163	26.7
98.10500	2.3
105.07024	43.4
107.04955	21.0
107.08576	79.2
109.06495	17.3
109.10140	19.1
111.08047	5.4
117.07006	12.4
119.08549	26.9
121.06477	4.8
121.10125	19.8
123.08039	9.9
123.11611	3.9
125.09607	32.8
127.62820	2.1
129.07004	4.2
131.08554	23.2
133.10095	24.1
135.08061	19.5
135.11655	10.2
137.09589	3.9
139.11125	4.3
143.08559	4.2
145.06430	3.0
145.10101	22.5
147.11646	16.9
149.09589	31.8
149.13254	5.5
151.07503	3.3
151.11128	6.0
153.09079	8.0
157.10107	4.3
159.11649	10.3
161.13223	6.5
163.11148	10.5
165.12729	3.0
169.10175	3.4
171.11632	4.7
173.13263	7.3
175.11209	2.9
177.12704	6.2
183.11703	3.0
187.11104	3.0
193.12233	3.0
197.13206	2.6
203.12791	23.1
229.19490	5.2
235.31326	2.3
239.17908	9.2
247.20551	5.3
257.18982	14.1
275.20020	100.0
276.20288	4.2
289.21545	5.5
290.21796	3.0
307.22607	28.6
308.23001	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	3.3
55.01850	3.6
55.05279	1.5
55.05506	18.8
57.03411	3.5
57.07064	2.3
58.20308	1.2
58.99564	3.3
59.04980	3.5
65.03934	2.4
66.84095	1.0
67.05498	28.1
69.03411	2.1
69.07059	12.6
69.84619	1.9
69.85026	5.9
70.53943	1.4
71.04980	10.3
73.06528	1.9
76.02217	13.6
79.05485	28.5
79.31146	1.1
81.03403	3.8
81.07045	33.6
83.04968	3.2
83.08609	9.2
84.04480	4.9
85.02879	1.3
85.06516	4.8
87.04431	2.5
87.08081	1.4
91.05463	43.8
93.07036	33.4
95.04957	10.2
95.08594	22.9
97.06522	11.9
97.10148	5.3
98.98443	1.9
99.08073	2.6
105.07017	47.4
107.04920	3.8
107.08576	21.4
109.06501	21.9
109.09400	1.8
109.10130	14.6
110.07243	1.3
111.08055	4.5
116.01646	1.5
117.06996	11.4
119.08560	34.6
121.02883	8.9
121.06496	9.3
121.10116	14.9
123.08034	13.2
123.11699	1.5
125.09612	3.8
128.06244	1.4
129.07007	4.8
130.04973	1.9
131.08546	15.3
133.06477	2.3
133.10104	29.0
135.08015	9.6
135.11690	7.6
137.09570	11.0
139.11131	2.5
141.06960	2.0
143.08540	4.2
145.10097	15.6
147.08055	3.0
147.11668	23.7
149.09589	8.6
149.13228	2.2
150.43434	1.3
151.11160	15.6
153.09019	1.3
155.08517	2.6
157.10132	5.8
159.08060	2.9
159.11671	10.3
161.09610	2.3
161.13260	6.5
162.02184	5.4
163.07484	1.3
163.11165	10.5
165.12733	10.2
169.10056	2.5
171.11693	3.8
173.13194	7.7
175.11197	2.4
175.14757	1.8
177.12697	5.0
179.04889	6.7
179.14322	2.2
183.11647	3.8
185.13292	1.8
187.11176	1.8
187.14758	2.9
189.09148	1.3
189.12665	1.8
191.14305	2.9
193.10178	1.4
197.13239	5.3
201.12772	2.7
213.05443	3.1
219.13693	1.3
229.12180	1.4
229.19402	7.7
233.05975	2.8
233.15350	2.3
239.18037	9.9
247.13289	1.5
247.20488	4.5
249.18491	2.4
257.18985	12.0
275.20020	55.3
276.20401	2.8
289.17908	5.7
289.21552	3.1
307.09573	5.9
307.22614	100.0
308.22955	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03936	8.8
55.01862	6.4
55.05500	22.7
57.03426	22.5
57.07047	3.6
57.77378	1.2
58.99565	2.6
59.04982	1.3
65.03918	3.0
67.05491	62.9
68.71711	1.0
69.03410	3.5
69.07055	20.8
71.04971	3.2
71.08586	1.0
71.10540	2.3
71.10873	2.2
73.06541	1.9
76.02219	8.8
79.05474	71.9
81.03397	9.3
81.07038	71.2
83.04957	7.4
83.08616	7.0
84.04483	3.4
85.06509	3.2
91.05461	100.0
93.07025	55.2
95.04951	23.8
95.08588	38.9
97.06491	5.4
97.10143	4.8
98.98453	1.8
99.04476	1.8
99.08073	1.2
103.03947	1.2
103.05437	5.8
105.04509	2.3
105.07007	61.5
105.61481	1.0
107.04935	28.2
107.08566	21.5
109.06493	14.9
109.10142	12.4
111.08080	7.2
111.45454	1.1
115.05439	5.0
116.01677	2.0
117.06990	25.7
119.08556	39.5
121.06479	10.5
121.10114	14.1
123.04409	1.2
123.08017	6.5
123.11662	5.9
125.09579	2.2
128.06194	3.2
129.06973	10.6
131.08542	42.7
133.06454	5.8
133.10107	15.4
135.08040	7.3
135.11665	4.8
137.06018	1.6
137.09607	4.1
137.13225	2.0
139.11163	1.9
139.69763	1.1
141.06961	5.5
142.07745	1.1
143.08569	5.9
144.09315	1.3
145.06448	2.1
145.10101	18.1
147.07997	4.8
147.11662	5.3
149.09599	6.4
149.13246	3.3
151.07527	1.6
151.11137	2.5
155.08504	6.4
157.10074	2.2
159.07983	1.8
159.10516	1.0
159.11635	6.5
161.09608	2.6
161.13248	2.1
162.02205	3.3
163.07533	1.2
163.11163	2.9
167.10709	1.6
169.10097	6.0
171.11633	9.6
173.09601	2.8
173.13214	8.9
177.16370	1.2
179.04837	4.7
182.10797	1.7
187.11104	2.2
187.14754	8.4
189.12683	1.8
197.13242	6.7
200.86246	1.3
205.12228	4.8
205.15840	5.7
211.07553	1.2
215.14302	5.0
219.07973	2.0
229.12103	1.4
233.05963	1.1
233.15311	25.1
234.15723	1.3
247.07430	1.7
261.18500	1.8
264.07666	2.3
271.17047	1.3
275.20074	4.5
289.17868	4.1
289.25146	1.6
307.09525	5.1
307.15671	2.3
307.19019	22.9
307.22507	2.4
307.26300	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	307.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03936	8.5
55.01868	7.9
55.05264	1.7
55.05502	15.9
57.03425	25.3
57.07069	1.4
63.82463	1.3
65.03917	4.1
65.56243	1.0
66.83594	1.2
67.05495	58.6
69.03404	1.2
69.07059	15.6
69.71651	9.2
71.04972	3.6
73.06537	1.0
76.02212	3.5
77.03927	1.2
79.05479	71.6
80.05836	1.4
81.03409	9.7
81.07042	60.4
83.04975	7.7
83.08601	8.6
84.04491	1.3
85.06521	2.8
88.07608	1.3
91.05465	100.0
93.07027	51.0
95.04948	24.3
95.08593	28.6
97.06510	5.5
97.10141	1.4
101.05981	1.2
103.05442	8.5
105.04499	1.8
105.07011	70.0
107.04935	30.6
107.08577	19.9
109.06509	13.5
109.10121	9.0
111.08031	1.8
115.05432	4.3
116.13456	1.3
117.06994	30.0
119.04967	1.5
119.08559	43.7
119.09409	2.3
121.06496	11.6
121.10131	9.3
123.08047	4.4
123.11665	2.5
125.09671	2.3
128.06174	1.6
129.06975	13.1
130.07872	1.9
131.08543	42.8
133.06511	5.7
133.10109	14.4
135.08054	5.9
135.11653	1.8
137.09619	2.9
141.06985	5.2
143.08569	6.0
145.06470	2.2
145.10098	19.6
147.08046	3.9
147.11610	2.1
149.09587	4.7
151.07680	1.5
153.09059	1.1
154.49422	1.1
155.08507	5.5
159.08020	1.2
159.11687	5.6
161.09549	1.3
161.13248	2.1
169.10143	6.5
171.11670	9.2
173.09601	1.3
173.13229	7.0
179.04977	1.8
187.11182	2.0
187.14795	8.8
189.12755	1.4
197.13235	6.8
205.15898	6.4
209.38765	1.3
215.14351	5.1
233.15327	23.6
234.15689	1.4
234.32291	1.1
275.20197	1.4
289.17929	4.9
307.19006	26.4
307.26797	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	307.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
56.96556	1.9
57.03414	0.8
67.05482	0.7
69.03435	0.6
69.14024	0.3
70.06577	0.6
71.01357	0.8
71.04953	0.4
71.08501	0.9
72.08138	0.6
76.02199	0.7
79.05478	1.0
81.03397	0.5
81.07033	2.1
83.04975	0.4
84.04512	0.5
84.08131	0.4
85.02882	0.9
91.05463	1.1
93.07021	0.5
94.04034	0.5
95.04945	0.4
95.08582	0.6
95.47340	0.3
97.02861	0.6
98.97582	0.4
98.98470	0.5
100.07580	0.3
105.07021	0.7
107.08592	0.5
109.06494	1.1
109.10127	0.3
116.98631	0.7
119.03523	1.5
119.08545	0.8
123.90644	0.3
126.52106	0.3
128.98566	0.5
131.08548	0.4
133.10089	0.4
136.06161	100.0
137.04564	1.0
137.06599	0.4
137.09557	0.5
138.07674	0.5
143.08493	0.4
145.10114	0.3
148.06094	1.7
150.07736	0.7
157.07635	0.4
158.06013	0.3
160.06168	3.3
164.05644	0.5
175.05759	0.4
175.07254	8.8
177.08852	2.2
179.35551	0.3
183.11479	0.3
187.11186	0.4
201.12730	0.7
229.12282	0.8
247.13249	0.7
266.08878	0.5
275.20087	1.0
289.10535	0.4
307.11423	11.1
307.22403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90833	2.7
55.42459	2.7
56.96562	3.2
62.51909	2.7
71.68108	2.5
71.68497	4.1
77.00920	2.9
77.55356	2.8
82.99855	3.1
85.02868	3.7
94.92993	8.5
101.00861	31.7
102.00874	3.0
114.75439	2.9
115.02402	12.2
119.01902	100.0
120.02026	3.6
121.01622	4.2
129.03957	4.1
131.01846	9.8
133.03433	34.4
137.02925	27.5
143.01848	11.0
145.03410	10.6
147.05032	3.8
149.02950	4.2
151.04466	5.1
155.01862	7.7
161.02919	23.5
168.99783	11.6
173.02901	20.5
174.03101	4.6
175.00172	3.6
175.04523	4.4
177.02434	7.7
187.00827	30.4
191.03972	4.1
196.99254	5.7
201.05922	5.3
202.89040	48.8
203.03938	4.6
205.01921	11.0
208.97906	3.2
215.00354	33.1
217.01807	3.6
219.03476	10.3
221.05046	5.0
229.01904	10.7
233.01349	3.4
247.02907	60.4
248.03006	6.2
265.03964	9.8
270.04858	3.0
289.03961	9.5
307.04596	13.8
307.07837	96.9
308.08234	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	306.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.0
56.06263	0.6
57.03413	2.8
67.05481	1.9
69.07045	1.0
70.06210	1.1
70.06579	14.7
70.22969	0.5
70.91565	0.6
70.91930	1.8
71.01335	0.9
71.06909	1.1
79.05455	0.6
81.03381	1.1
81.07021	2.1
84.04469	0.7
84.08125	4.0
85.02892	38.1
86.09672	0.8
91.05466	1.9
93.07022	1.2
95.04881	0.8
95.08628	0.6
103.03904	0.7
105.06990	1.3
107.04937	0.7
107.08563	0.8
109.02853	0.8
109.10104	0.9
113.02341	2.1
118.06520	18.2
119.08530	1.2
121.06451	0.8
127.08668	1.4
129.10226	1.6
131.03345	1.2
131.08517	0.8
132.02342	0.6
132.08080	3.2
133.08778	1.0
134.09604	1.2
135.07999	0.7
137.05913	1.8
146.09608	4.5
176.14319	83.3
177.14645	2.8
180.31454	0.7
186.86983	0.6
202.15910	1.4
216.13844	0.7
246.14981	0.7
249.05382	0.8
257.43820	0.6
264.07892	0.9
288.16000	1.1
292.07175	1.1
306.16946	100.0
307.09689	3.5
307.17181	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	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03943	0.2
54.57707	0.2
56.97506	0.2
58.02942	0.3
66.04684	0.3
67.05501	0.4
69.07046	1.4
70.33636	1.0
70.33928	0.2
79.05470	0.8
81.07037	0.8
91.05458	0.7
93.07021	0.4
94.04176	2.7
95.08591	0.4
97.06535	0.6
98.21369	0.2
100.07588	0.3
105.07069	0.3
107.04910	0.4
107.08574	0.6
109.06489	0.3
109.10168	0.6
114.09155	0.5
122.03635	7.5
124.22202	0.2
126.09136	0.6
133.10107	0.7
135.11652	1.4
137.05956	100.0
138.06290	1.0
147.11665	0.3
151.11104	0.2
153.12766	1.0
165.34016	0.2
170.15410	2.2
182.15381	2.4
238.53189	0.2
305.74634	0.2
306.20618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.6
61.02904	3.1
71.11023	2.5
77.00893	1.9
82.99811	1.5
84.04493	0.9
98.97559	1.3
101.00864	28.0
102.00939	1.1
113.00880	1.3
115.02431	13.6
119.01900	100.0
120.01987	2.5
121.01657	1.9
123.62579	0.9
124.46630	1.1
125.50645	1.0
129.03963	5.2
131.01883	7.8
133.01729	0.9
133.03438	24.4
135.05058	1.1
137.02927	25.3
142.03471	3.9
143.01846	6.1
143.75043	1.1
144.98024	1.0
144.99792	3.2
145.03439	3.8
147.01378	1.9
147.05034	6.0
149.02875	1.6
150.72064	1.0
151.04463	3.5
155.01959	1.6
157.03381	1.6
159.01373	3.1
161.02939	17.2
168.99806	7.9
171.01254	1.1
173.02931	7.2
175.04478	2.3
177.02399	13.2
185.02927	2.3
187.00861	22.0
189.02428	2.3
190.98708	1.2
191.04008	5.4
196.99199	6.6
199.00858	1.6
201.02383	2.4
201.06058	3.7
203.03989	2.8
205.01944	12.7
208.99631	2.7
215.00333	38.4
217.01907	3.6
219.03514	11.0
229.01901	15.7
233.01338	3.0
237.04420	1.1
238.02058	1.1
245.05020	2.6
247.02965	65.0
248.03130	2.4
265.03989	13.7
270.04517	3.1
288.05304	1.2
289.04016	9.8
307.05106	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	306.1694
Annotation	Convolamine
Peak:m/z	Relative Intensity
57.03424	2.8
67.05492	0.6
70.06567	0.8
71.01330	0.8
71.10791	0.3
76.99956	0.4
81.03394	0.4
81.07024	0.5
84.08134	0.5
85.02889	42.2
90.54142	0.4
93.06999	0.6
95.01303	0.9
98.20625	0.5
100.03767	0.3
103.03912	0.4
106.06571	0.4
113.02356	2.0
117.05660	0.4
118.06522	15.6
131.03378	1.6
132.08060	5.3
132.08975	0.7
133.08884	2.3
134.09563	1.2
144.08035	0.5
146.09634	6.2
147.10382	0.5
160.11182	0.6
176.14316	86.4
177.14630	2.3
202.15875	1.0
216.13788	0.6
244.19052	0.5
262.10757	0.4
288.15973	1.8
306.16943	100.0
307.09485	0.5
307.17270	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	305.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12762	6.2
55.05497	24.5
56.96534	6.9
57.07051	10.1
61.16734	5.2
67.05496	82.5
69.07056	27.8
69.40997	66.6
70.06576	37.1
71.04973	23.0
71.08641	5.9
79.05468	28.7
80.14693	5.1
81.07041	91.6
83.08600	17.3
84.08134	18.0
85.06567	6.8
91.05467	24.9
91.49482	6.1
93.07026	55.3
95.04958	10.6
95.08595	100.0
97.06531	9.0
97.10156	17.8
99.08070	7.5
105.07010	20.1
107.08586	36.8
109.06521	9.7
109.10144	64.4
111.11707	6.4
119.08539	23.4
121.10124	47.5
121.77167	6.2
123.08056	13.3
123.11716	23.8
131.08549	10.9
133.10133	33.8
135.11700	34.9
137.09615	11.9
145.10104	12.6
147.11636	11.0
149.09602	9.5
149.13268	15.6
151.11157	10.5
151.75783	5.7
159.08316	12.2
159.11659	6.8
191.17932	32.6
209.19002	12.9
209.91284	5.7
215.17950	20.4
233.18976	16.7
251.20053	21.5
269.21082	8.0
275.84811	6.0
305.05664	10.1
305.24799	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	305.2107
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.35876	4.9
55.01846	7.5
55.05507	31.6
56.96542	4.9
57.03434	6.7
57.07078	7.3
65.42413	4.4
67.05498	33.1
69.07054	27.1
70.06586	100.0
71.05002	6.8
79.05493	35.7
81.07042	50.9
83.04967	17.5
83.08597	15.4
84.08129	30.8
84.77376	4.2
85.06532	4.2
91.05470	45.8
91.15383	4.5
93.07030	73.3
95.04963	30.9
95.08599	73.9
97.02875	6.7
97.06520	12.1
97.10161	7.9
98.97556	6.4
105.07024	49.4
107.04900	8.8
107.08585	51.8
109.06511	21.0
109.10132	27.9
111.08057	8.8
117.06993	20.7
119.04892	5.2
119.08559	69.4
121.06492	14.2
121.10123	66.9
123.08080	18.2
123.11685	14.4
124.22800	5.3
125.09634	13.0
127.08690	8.2
128.06207	11.5
129.06978	19.1
129.10130	9.9
131.08536	45.2
133.06502	6.2
133.10117	44.4
135.00363	4.3
135.08061	14.8
135.11670	12.6
137.05969	9.2
139.07501	7.3
139.11194	7.1
142.07773	11.4
143.08553	28.1
144.09329	8.7
145.10107	43.4
147.08044	12.5
147.11688	22.7
149.01180	6.5
149.09637	26.7
149.13251	11.2
151.07607	9.0
155.08484	9.1
156.03560	6.4
156.09312	12.9
157.10088	43.5
158.10834	9.6
159.07965	6.3
159.11665	51.9
161.09576	14.4
161.13225	6.8
163.11176	6.1
165.09113	13.5
167.10645	6.2
167.54391	5.4
169.10086	19.6
170.10875	9.4
171.06610	5.0
171.11694	38.3
173.09720	8.1
173.13190	43.1
174.13963	5.7
175.11217	11.3
175.14742	7.4
177.12698	9.6
179.07011	5.6
183.11665	11.4
185.13258	19.1
187.11107	10.2
187.14856	7.5
189.12766	6.9
195.11674	7.5
197.13272	7.8
199.11397	5.6
199.14818	14.3
201.16440	6.1
203.14423	8.2
204.93506	5.0
211.14783	11.8
212.15154	5.7
213.12732	14.7
213.16397	21.2
215.17952	9.5
224.07979	23.2
225.16426	6.2
227.18031	8.4
231.13809	11.7
237.16238	5.2
241.19598	14.9
243.17514	7.4
245.15402	4.9
259.20554	7.2
269.19012	17.7
273.18378	15.4
287.16760	5.6
287.20041	27.9
305.10669	7.4
305.17581	9.4
305.21094	94.8
305.24615	15.4
305.28741	18.3
306.24365	5.4
313.85422	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	305.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01854	8.5
55.05283	4.4
55.05506	54.9
57.03407	11.5
57.07045	3.6
59.04994	5.8
60.53974	2.6
65.03913	3.0
67.05501	61.3
69.03418	7.9
69.07060	27.9
71.04989	6.6
79.05024	4.2
79.05482	83.2
80.93233	2.8
81.07047	86.5
83.04948	10.2
83.08609	18.8
85.06541	8.1
91.04927	4.9
91.05471	87.3
93.07030	82.8
95.04951	17.9
95.08595	55.7
97.06500	13.1
97.10137	13.8
98.20716	9.7
103.05420	5.0
105.06337	5.4
105.07014	83.5
107.04933	16.7
107.08584	45.0
109.06494	18.0
109.10145	12.0
111.08052	6.8
115.05396	5.0
116.06262	3.7
117.07021	46.8
119.08559	47.0
121.06494	13.0
121.10125	26.3
123.08037	10.8
125.09583	6.9
128.06197	9.9
129.06998	25.7
130.07755	13.6
131.08546	100.0
133.06438	8.0
133.10106	27.0
135.08054	24.0
135.11661	13.8
137.05943	11.8
137.09557	8.7
139.11145	10.2
141.06953	8.3
142.07753	10.7
143.08539	70.6
143.10338	3.1
145.10103	76.3
147.08031	15.6
147.11658	14.1
149.09596	8.6
152.27588	3.3
155.08569	6.9
157.10133	23.8
159.08061	3.1
159.11696	20.4
161.09557	16.3
163.11163	4.8
169.10097	13.4
171.11668	19.8
173.09630	3.1
173.13351	4.4
174.12715	2.9
175.11157	6.4
177.12666	6.2
181.10106	7.7
183.11661	10.9
185.13264	9.0
189.12718	5.4
195.11722	14.6
199.10954	3.0
201.12805	4.3
209.13249	4.0
211.14810	4.1
213.12628	4.2
213.16444	3.6
217.15881	4.2
227.17873	9.7
237.16350	16.4
245.18912	8.0
255.17371	17.0
273.18463	58.5
287.19958	6.5
305.20984	28.3
305.31284	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	305.2107
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03931	10.0
55.01873	15.0
55.05503	26.8
57.03421	10.3
57.13917	3.2
58.37613	3.3
59.04978	12.5
60.47500	3.1
63.16370	2.8
64.06534	3.0
65.03925	10.6
67.05495	73.7
69.03408	12.6
69.07061	15.6
70.06382	16.0
71.04988	5.2
78.02459	3.1
78.48418	3.1
79.05485	48.0
81.03447	4.5
81.07045	71.3
83.04966	13.7
83.08585	4.0
85.06542	10.4
91.05474	53.2
93.07038	47.9
95.04955	100.0
95.08615	21.0
97.06552	6.8
97.10135	5.5
98.20728	3.1
105.07008	36.6
107.04937	28.9
107.08559	29.2
109.06503	62.6
109.10139	6.6
111.08079	5.7
116.06240	3.3
117.07000	24.3
119.08537	21.2
121.06503	15.8
121.10124	23.6
123.08048	8.7
125.09613	6.6
128.06203	7.2
129.06967	11.3
131.08554	28.2
133.06476	10.7
133.10103	11.4
133.65971	3.2
135.08023	44.7
135.11668	5.6
137.05957	12.6
137.09595	6.5
143.08554	11.9
145.10074	24.3
147.08002	13.9
147.11679	7.5
149.09595	20.5
149.13213	5.6
150.10411	9.2
151.11111	10.2
155.08502	4.9
157.10062	8.5
159.08069	4.4
159.11653	10.1
161.09653	16.1
163.11185	7.3
167.10625	7.8
169.10043	6.1
171.11661	13.0
173.09636	4.3
173.13229	6.9
175.11205	8.0
177.12680	6.1
185.13197	4.9
187.11061	3.7
189.12767	5.0
195.11682	4.8
197.13208	3.9
205.12143	6.9
217.15880	8.1
227.18098	3.7
237.16364	4.3
245.19084	6.8
250.13472	3.5
255.17442	9.3
273.18448	40.9
287.08804	3.2
287.20029	16.8
305.17642	5.4
305.21091	57.3
305.24493	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	305.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34640	1.1
53.00298	1.5
55.01856	3.7
56.53249	1.2
57.44029	1.3
61.41706	1.1
63.25528	1.6
67.05493	3.0
70.06580	28.7
70.62353	1.4
71.04970	1.8
71.08618	100.0
71.44879	3.0
72.08949	1.8
73.02901	2.4
75.04444	2.1
79.05494	2.4
81.07013	4.7
83.01345	8.4
83.04926	1.2
84.04531	1.6
84.08130	14.4
85.02895	5.7
85.06531	1.2
86.09703	1.9
87.04458	6.8
91.05462	1.5
92.30759	1.2
93.07034	2.7
95.73375	1.2
99.04435	4.9
99.08076	82.3
101.02375	2.0
105.07003	1.7
106.55217	1.3
107.04956	1.4
109.10169	1.5
110.07119	1.7
111.00787	7.4
111.04359	1.3
113.02369	3.6
115.03931	8.2
116.98562	1.3
117.09152	1.3
121.10142	1.8
127.08665	2.7
129.01828	2.3
129.10236	3.1
133.04961	1.9
136.07610	1.3
137.02313	6.0
137.06004	2.1
139.03870	3.4
143.03394	9.2
150.96988	1.2
153.01811	4.6
161.04442	1.4
163.29654	1.3
173.13174	1.3
176.14294	2.0
231.11801	1.3
259.05054	3.3
259.11646	3.6
262.03598	1.5
267.77130	1.4
287.04575	1.7
289.33420	1.6
305.05499	12.2
305.22238	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	305.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
54.51046	1.4
55.01861	14.7
55.05500	33.4
56.05031	1.6
57.03415	7.0
57.07063	2.2
59.04972	2.3
60.91439	1.6
61.78440	1.6
65.03921	5.0
67.05490	47.7
69.03433	9.5
69.07055	14.6
69.54396	13.3
69.54821	3.1
70.06577	8.9
71.04970	4.0
79.05477	66.8
81.03419	8.5
81.07042	82.2
83.04969	7.5
83.08596	15.7
84.08121	3.1
85.06522	4.6
88.07625	4.7
89.24788	1.6
91.04920	3.3
91.05465	47.6
93.07028	42.9
95.04955	32.4
95.08588	22.6
97.06501	7.5
97.10152	12.8
98.20720	3.7
103.05462	4.0
105.03385	2.7
105.07015	39.0
107.04933	25.2
107.08573	28.0
109.06493	19.8
109.10151	7.7
111.08059	6.0
115.05426	5.4
116.06210	3.2
117.06996	30.4
119.04906	4.3
119.08555	46.1
120.05693	2.0
121.06475	26.9
121.10133	16.4
123.08051	13.6
125.09607	15.2
128.06189	4.6
129.06990	11.1
130.07770	1.9
131.08548	34.8
133.06447	11.3
133.10095	15.3
134.53592	1.6
135.08043	24.5
135.11668	6.7
137.05960	3.8
137.09598	4.7
141.06970	2.4
142.07756	1.8
143.08493	11.6
145.06483	2.3
145.10095	26.1
147.08029	28.5
147.11682	7.2
149.09616	21.2
151.07516	2.1
151.11137	2.3
153.09038	2.7
155.08508	2.1
156.09320	2.1
157.06374	1.8
157.10098	11.9
159.08009	4.9
159.11684	14.0
161.09598	16.2
161.13271	2.4
163.11156	15.5
169.10069	3.1
171.11682	10.7
173.09637	4.8
173.13168	2.5
175.11140	9.9
177.12769	4.6
181.10133	3.1
183.11771	1.5
185.13223	4.8
187.11174	3.4
189.12695	3.9
195.11612	1.7
199.11096	3.2
199.14687	1.8
201.12842	1.8
203.10710	1.6
203.12717	6.0
203.14413	3.2
211.14732	2.1
213.12732	3.8
217.15807	6.5
227.17928	4.7
231.13689	4.3
237.14536	2.4
237.16544	3.4
245.19005	7.0
255.17351	10.2
257.26700	4.4
263.16345	4.8
273.18442	64.1
277.09259	1.6
287.20001	5.3
305.21082	100.0
305.28647	14.3
306.21509	2.8
320.57269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24921	1.0
55.01862	1.8
55.05508	2.3
59.04993	1.4
61.38303	1.1
67.05479	1.9
69.03414	2.5
69.07034	2.4
69.19757	0.9
70.06590	7.6
71.05000	2.4
71.08621	100.0
71.70580	1.3
73.02895	1.7
73.37017	0.9
75.04461	2.3
79.05466	2.2
81.07060	4.8
83.01336	5.1
83.32404	0.9
84.08117	2.1
85.02869	2.8
85.99556	1.0
86.09668	1.1
87.04446	8.6
91.05447	1.8
93.07034	3.2
95.01302	1.1
95.04958	1.5
95.08591	3.3
97.02883	1.1
99.04411	2.8
99.08080	73.9
105.07008	1.8
107.04933	1.1
107.08565	2.0
109.06492	1.0
109.10168	2.1
111.00767	4.6
113.02330	3.3
115.03917	6.8
117.09100	1.9
119.08514	1.2
121.02844	7.4
121.10160	2.6
123.04372	1.3
129.01770	2.3
130.42256	0.9
133.04922	1.8
133.10129	1.0
136.07536	3.6
137.05998	1.2
139.03806	1.3
141.06882	1.1
143.03389	3.9
149.02361	1.4
153.01805	2.0
157.97905	1.0
164.07045	2.2
176.14354	1.4
183.04648	1.3
203.06053	1.2
214.12311	1.5
231.05682	1.7
257.04572	2.0
258.04605	1.7
258.10150	1.0
259.04971	13.3
262.03647	2.4
274.04315	1.0
275.04453	2.9
276.05453	1.8
287.04486	4.3
287.13867	2.3
305.05487	35.5
305.15002	1.2
305.24622	1.1
306.05820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0651
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.02480	0.3
53.03922	0.5
55.01846	0.4
56.96543	0.3
57.03429	8.6
60.50401	0.3
61.61376	0.3
63.74021	0.3
65.03922	0.9
67.05498	0.3
68.99779	2.3
70.06557	1.1
70.74259	0.3
70.99722	0.3
71.08542	0.8
81.02992	0.4
81.03407	4.0
81.07030	0.3
83.01317	0.5
83.39238	0.3
84.08105	0.9
85.02892	22.5
93.03378	0.8
97.02878	1.7
107.01308	1.5
109.02854	3.7
110.97530	0.3
111.00773	1.2
111.04397	0.3
116.07101	0.3
121.02853	5.8
125.02341	4.0
127.03847	0.9
135.00755	0.4
137.02328	3.4
137.03336	0.6
139.03850	0.8
149.02312	2.7
153.01790	2.2
167.03362	2.0
171.02856	3.3
177.01794	2.7
195.02861	100.0
196.03236	1.4
213.03963	1.1
247.02501	0.4
259.04977	1.1
276.05228	0.6
287.05542	2.3
305.05884	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	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37418	1.1
56.96559	97.8
70.06583	1.3
70.44243	6.3
70.97747	1.9
70.98112	28.3
71.95261	7.2
72.96016	2.8
73.42968	1.3
74.97579	2.9
76.01404	1.2
84.96017	4.6
88.99149	12.9
91.20152	1.3
97.02941	1.4
98.97567	100.0
101.00887	2.0
107.00197	2.0
110.97568	6.6
112.99118	4.7
113.00835	1.3
116.97760	3.3
116.98603	67.4
119.01907	6.2
124.95454	14.4
124.99059	2.0
128.98578	10.4
130.93256	1.5
131.00172	4.8
132.76306	1.2
133.01750	3.3
134.99638	28.5
140.00160	2.4
140.38287	1.2
140.98540	3.7
142.96523	15.2
143.00150	5.9
144.98064	2.9
145.01700	5.2
145.03487	1.7
146.99629	13.2
149.01221	3.7
152.95001	1.7
153.00684	2.9
154.96490	2.9
156.98073	5.1
158.99646	11.2
160.97571	9.8
161.01193	6.8
161.02914	2.6
162.99104	2.6
163.02663	1.5
165.00700	10.5
170.96042	10.4
172.97569	13.5
173.01228	4.1
173.02882	2.6
174.99113	16.2
177.00665	13.4
180.22736	1.4
184.97501	7.8
186.99144	3.8
188.97040	31.2
189.00623	9.7
189.02197	1.7
190.98590	25.0
191.02277	5.6
193.00197	16.6
195.01707	2.8
201.00665	4.1
202.98610	26.1
203.02235	2.1
205.00159	10.7
206.98128	20.9
207.01717	9.2
208.99669	5.6
211.01120	2.2
212.96985	3.0
214.98633	7.7
217.00182	4.7
219.01759	3.1
220.99710	19.1
221.05095	1.9
223.01210	6.7
224.99060	2.1
230.98100	25.3
232.99681	14.9
235.01263	8.6
236.49397	1.4
239.00723	3.9
244.99702	5.4
248.99110	12.7
251.00658	2.4
258.02359	1.5
263.00726	21.7
263.85016	1.4
281.01785	20.4
299.02890	3.2
305.05524	1.6
305.10800	2.8
313.43634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03921	1.5
55.01841	1.7
55.05505	14.1
56.96550	1.3
57.03438	1.3
57.07035	1.4
61.44464	1.1
67.05491	22.0
69.03412	3.8
69.07059	13.4
69.97375	7.4
70.06573	1.9
71.04966	2.6
79.05476	14.8
81.07046	41.5
83.04980	1.7
83.08602	6.0
84.08095	1.2
91.05471	16.1
93.07034	25.3
95.04943	4.3
95.08591	48.6
97.06506	3.0
97.10146	9.5
103.05432	2.2
104.67591	1.1
105.07013	46.9
107.08576	44.9
107.09111	0.6
109.06496	1.6
109.10135	31.5
115.05402	1.9
117.06985	4.0
119.08564	50.1
121.06499	1.6
121.10119	21.8
123.08035	2.0
123.11681	11.7
125.09569	1.5
129.06960	1.6
129.10219	1.1
131.04872	2.3
131.08546	9.0
133.10106	25.6
135.08009	2.7
135.11659	17.3
137.05920	2.3
137.09598	2.4
143.08548	3.7
144.09277	1.3
145.06479	1.5
145.10106	14.5
147.04340	1.3
147.11664	34.8
149.05931	1.4
149.09596	2.1
149.13248	7.0
151.07504	3.0
153.01773	1.5
153.06967	2.5
155.04860	3.1
155.08556	1.6
155.10532	1.5
157.10112	3.0
159.11655	17.6
160.12393	1.5
161.13243	25.1
163.07483	1.6
163.11160	6.5
163.14799	3.8
165.06967	3.4
168.05681	1.2
169.10086	3.1
171.11661	4.6
173.09543	1.5
173.13223	13.2
175.11156	2.3
175.14833	6.4
177.12691	3.5
180.51662	1.2
181.06525	1.2
181.12201	5.9
183.04395	2.2
183.08028	4.7
183.11710	3.9
185.13234	1.9
187.11259	1.2
187.14790	5.7
189.12737	2.3
189.16272	2.2
191.14267	5.4
193.12265	3.0
195.13776	3.8
197.13231	1.8
201.05444	3.4
201.16325	2.7
203.14278	1.4
203.17953	1.8
205.04997	1.5
207.13771	4.7
209.15297	7.8
211.03841	8.6
211.07510	3.5
211.14799	3.4
215.10590	1.4
215.14223	1.3
215.17891	1.9
219.02815	2.9
219.13669	1.4
221.06018	1.2
221.15289	1.6
223.16878	1.8
225.16409	2.5
228.04204	2.0
229.04977	6.7
229.15869	3.8
229.19427	8.8
233.15332	3.4
239.07048	1.9
239.17920	2.7
243.10210	3.3
243.17346	4.3
247.16888	4.8
257.04416	40.1
257.19064	1.8
257.22659	2.1
258.04742	2.7
260.03082	6.1
261.18311	2.4
265.52545	1.3
267.21063	5.3
271.09589	5.2
273.03915	10.4
274.04642	5.2
285.03937	11.0
285.22086	9.4
286.04306	1.6
303.04956	86.8
303.12152	2.7
303.19882	3.8
303.23123	100.0
304.05347	7.7
304.23462	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	303.1949
Annotation	Trigoheteric acid methyl ester
Peak:m/z	Relative Intensity
53.03937	2.7
55.01860	9.7
55.05502	66.6
57.03422	5.1
59.04985	2.5
67.05496	29.0
69.03414	4.7
69.07061	11.9
70.61440	4.6
71.04971	1.8
79.05478	38.2
79.05931	2.3
81.07046	24.5
83.04961	4.8
83.08604	21.0
91.05471	18.5
93.07034	15.7
95.04964	1.4
95.08598	7.3
97.10152	41.2
97.45490	1.3
98.21542	1.9
98.65823	1.2
103.05437	1.7
105.07005	8.9
107.08573	28.6
109.06493	3.0
109.10137	8.2
111.08064	3.2
115.05436	18.8
117.06997	84.1
118.07309	2.8
119.08556	18.0
121.06533	1.3
121.10133	1.3
123.08038	4.7
125.09615	43.5
128.06213	4.6
129.06992	7.5
131.08543	10.7
133.10123	3.3
135.08031	14.0
135.11742	1.5
135.76343	1.1
141.06984	3.1
142.07755	3.7
143.08556	16.1
145.06462	85.4
145.10167	8.2
146.06798	1.7
147.08057	4.1
147.11659	2.2
149.09564	1.6
153.09067	10.1
155.08534	5.5
157.10098	13.7
157.12204	4.4
159.08044	4.4
159.11635	3.3
161.09535	1.5
161.13261	1.8
167.08607	1.5
169.10075	6.2
171.10190	3.1
171.11722	3.4
173.09570	2.8
173.11708	2.7
181.10083	2.0
183.11710	2.1
197.13232	2.2
203.12733	28.4
215.14206	2.7
225.16348	8.8
235.14749	2.2
243.17435	7.8
253.15823	10.0
257.04337	3.1
271.16891	100.0
272.17258	4.5
273.03650	1.5
286.04517	1.3
303.04980	11.8
303.19516	16.7
303.23181	3.2
303.26785	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01856	0.3
55.05488	0.2
56.95921	0.1
59.25840	0.1
61.47750	0.2
63.56738	0.1
63.62465	0.2
65.03917	0.6
67.01841	0.3
67.05493	0.4
68.99780	1.8
69.03419	0.4
69.07024	0.2
69.58921	1.4
70.06581	0.3
73.20785	0.2
79.05492	0.2
79.06452	0.2
81.03395	0.6
81.07015	0.4
84.08128	0.2
85.02878	0.2
88.04808	0.2
91.05470	0.5
93.03387	0.5
93.07025	0.3
95.04965	0.9
95.08586	0.4
103.05432	0.5
105.03383	0.3
105.07014	0.2
107.01278	0.2
107.04932	0.3
107.08556	0.2
109.02847	1.2
109.06493	0.2
109.10139	0.2
110.03655	0.2
111.00789	1.7
111.04401	0.2
115.05446	0.3
117.07018	0.4
117.37519	0.1
119.04928	0.2
119.08540	0.2
121.02846	1.9
123.04401	0.8
126.50894	0.1
127.03855	0.4
129.06952	0.2
129.78548	0.2
131.04872	0.5
132.66730	0.2
133.02774	0.3
133.10104	0.3
135.04410	0.5
137.02324	6.2
137.03419	0.4
137.05905	0.4
141.06900	0.2
141.86545	0.2
145.02840	0.2
145.06479	0.8
149.02310	0.8
149.05919	0.4
151.03880	0.4
151.07510	0.5
153.01799	8.1
153.05437	0.2
153.06920	0.3
155.04915	1.4
155.06030	0.3
155.08578	0.2
157.06468	0.2
159.04364	0.3
161.05998	0.9
163.03857	1.0
163.07530	0.4
165.01801	3.1
165.06972	0.7
166.02594	0.4
171.02834	0.3
173.05959	1.2
179.03355	0.3
183.02870	1.3
183.04417	1.2
183.08025	0.6
185.05940	0.2
187.03865	0.7
191.03407	0.3
192.04210	0.2
192.09102	0.2
193.06480	0.2
195.02834	0.4
196.05208	0.2
201.05434	4.0
205.04904	0.7
207.02806	0.2
211.03830	1.3
211.07513	0.7
213.05376	0.3
215.03261	0.3
219.02893	0.6
219.06400	0.4
225.09097	0.2
228.04160	0.5
229.04921	9.6
232.03558	0.2
239.03459	0.3
239.06900	0.2
241.04976	0.2
243.10229	0.5
245.04376	0.3
246.05240	0.2
247.06044	1.4
256.03711	0.2
257.04416	10.9
258.04794	0.4
260.03159	1.1
264.82730	0.2
267.02905	0.3
271.09583	0.8
273.03864	1.4
274.04642	2.2
275.05450	0.5
285.03943	2.9
285.07205	0.2
286.04279	0.4
288.09787	0.4
303.04938	100.0
304.05273	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01862	0.4
61.92677	0.1
65.03915	0.6
65.28188	0.1
67.01848	0.4
67.05489	0.4
68.99778	2.2
69.03413	0.1
71.08308	0.1
71.08622	0.2
81.03405	0.9
85.61855	0.1
91.05460	0.2
93.03391	0.7
93.06984	0.2
95.04955	0.8
105.03386	0.2
105.07000	0.3
107.01272	0.2
107.04925	0.2
109.02877	1.2
110.03653	0.2
111.00790	2.2
115.05391	0.1
117.06985	0.4
121.02849	1.9
123.04413	0.8
126.03083	0.1
127.03893	0.4
129.06975	0.2
131.04907	0.5
133.02853	0.1
135.04391	0.4
136.41234	0.1
137.02325	7.9
137.03333	0.3
143.04968	0.1
145.02843	0.2
145.06467	0.9
147.04402	0.2
149.02325	1.1
151.03911	0.2
153.01802	10.3
154.02185	0.2
155.04898	1.2
155.06026	0.2
157.06477	0.3
159.04388	0.3
161.05931	0.7
163.03882	1.0
165.01810	3.6
166.02530	0.4
171.02864	0.3
171.04326	0.2
173.05952	1.5
175.06062	0.1
177.01817	0.2
177.05461	0.3
179.03328	0.4
183.02864	1.6
183.04399	1.1
187.03891	1.1
191.01799	0.1
191.03400	0.5
191.06975	0.3
195.02834	0.4
201.05447	4.9
201.07335	0.2
203.03406	0.2
205.04918	0.6
207.02939	0.2
211.03870	0.6
213.05487	0.2
215.03392	0.2
219.02899	0.4
219.06563	0.7
228.04102	0.6
229.04927	9.6
230.05304	0.4
232.03642	0.2
239.03386	0.4
245.04379	0.3
246.05156	0.2
247.05974	1.3
257.04413	6.7
258.04956	0.4
260.03113	0.4
267.02539	0.2
273.03952	0.5
274.04669	1.5
275.05319	0.5
285.03931	2.9
286.04419	0.2
303.04944	100.0
304.05316	3.8
304.08118	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03931	0.3
55.01868	0.3
65.03927	0.6
65.45398	0.2
67.01846	0.5
68.60255	0.2
68.99774	2.6
69.03397	0.4
70.85580	0.6
70.85937	0.3
71.01324	0.2
81.03400	0.7
91.05469	0.2
93.03406	0.4
95.04957	0.8
97.02950	0.3
109.02843	1.2
110.03680	0.2
111.00775	2.0
112.01119	0.2
117.06957	0.2
121.02853	2.3
123.04417	0.8
127.03911	0.5
131.04881	0.7
133.02779	0.2
135.04370	0.4
137.02327	8.0
137.03342	0.4
145.06462	0.8
149.02327	0.9
153.01808	10.2
154.02101	0.2
155.04890	1.1
159.04398	0.4
161.05963	0.9
163.03871	1.1
165.01813	3.6
166.02571	0.7
173.05952	1.2
179.03340	0.5
183.02841	1.7
183.04413	1.1
187.03871	1.0
191.03391	0.4
191.07072	0.2
195.02850	0.6
201.05424	5.1
205.04971	0.7
211.03824	0.4
213.05379	0.3
215.03435	0.3
219.02847	0.5
219.06450	0.4
228.04167	0.7
229.04924	10.0
230.05276	0.3
233.04449	0.3
239.03430	0.4
243.02937	0.2
245.04430	0.3
247.06020	1.5
257.04407	7.0
258.04868	0.3
273.04034	0.2
274.04688	1.9
275.05460	0.3
285.03909	3.0
303.04944	100.0
304.05289	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	303.0491
Annotation	Morin
Peak:m/z	Relative Intensity
55.01849	0.2
63.66801	0.1
67.01849	0.1
68.99763	0.2
69.67321	0.6
69.67745	0.2
80.91122	0.1
81.03381	0.2
83.01304	0.4
85.02880	0.2
98.21439	0.2
105.03332	0.2
107.01280	0.8
110.79348	0.1
115.05412	0.2
117.06972	0.2
121.02811	0.2
129.07031	0.1
131.04916	0.1
137.02278	0.1
145.06494	0.4
149.02289	0.4
153.01801	1.1
155.04889	3.2
155.06006	0.1
156.05331	0.1
157.06445	0.1
159.04347	0.1
163.03856	0.3
165.01695	0.1
167.03384	0.3
167.78601	0.1
170.01952	0.1
171.04414	0.2
173.05978	1.0
183.04378	2.8
185.05891	0.1
187.03856	0.3
191.03346	0.1
192.04167	0.5
193.04890	0.1
199.03784	0.1
200.04663	0.2
201.05435	3.9
201.07336	0.2
201.44791	0.1
203.03310	0.3
204.04173	0.4
205.04953	0.6
211.03867	7.8
212.04291	0.2
213.05377	0.2
215.03238	0.1
217.04941	0.6
218.05698	0.3
219.02849	3.6
220.03252	0.2
227.03403	0.1
228.04137	0.7
229.04919	8.7
230.05450	0.5
231.02901	0.4
231.06410	0.6
232.03702	0.5
237.03906	0.8
239.03319	1.0
241.04791	0.2
245.04431	1.0
246.05238	0.7
247.05759	0.1
255.02666	0.1
256.03668	1.0
257.04401	49.4
258.04749	1.7
259.05991	0.3
260.03128	8.2
261.03403	0.2
263.01956	0.1
267.02841	1.9
273.03891	10.8
274.01563	0.2
274.04663	8.5
275.05371	1.1
285.03894	13.7
286.04263	0.5
303.04935	100.0
304.05283	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39882	0.6
51.40178	0.7
71.03156	1.2
78.98934	0.6
101.00850	1.8
107.23787	0.6
119.01900	7.7
120.01957	1.2
137.02919	2.4
149.02927	0.6
158.99899	1.3
177.00934	15.4
177.02486	0.8
178.01018	4.2
179.00668	2.6
197.88402	0.7
200.02486	1.0
201.00952	1.2
217.04022	1.6
218.03673	1.9
219.01978	25.1
219.03627	0.9
220.02094	8.1
221.01747	7.8
222.01869	1.5
225.00996	3.0
226.00958	0.9
226.59459	0.6
243.01865	8.8
244.01923	1.5
261.03012	100.0
262.03140	36.5
263.02823	11.0
279.00693	1.2
282.99936	0.7
284.04532	4.4
284.51685	0.7
284.99774	2.2
285.04614	2.5
301.01041	1.1
303.00751	3.4
303.05344	7.6
304.05426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05500	0.6
56.05040	0.3
56.96552	1.1
58.06600	1.4
60.04533	0.5
61.02925	0.4
67.91207	0.3
69.03413	0.3
69.07054	6.6
69.67487	2.1
70.06577	2.5
71.05007	0.3
72.04505	1.8
72.08146	3.8
73.06540	0.9
74.06051	0.4
79.05450	0.5
81.03400	0.5
83.01304	0.3
84.04501	1.0
84.08135	2.0
85.02886	1.2
85.06500	0.3
85.31829	0.3
86.06044	0.5
86.09714	1.4
88.03989	0.3
95.04990	0.4
96.08093	0.4
97.02891	0.5
97.06522	2.2
98.06024	0.4
98.09641	0.4
98.20734	0.6
98.23660	0.3
98.97557	0.6
99.09223	0.3
100.07602	16.4
100.22771	0.3
105.03367	0.4
107.01305	0.7
109.02896	0.4
110.07146	0.4
112.11227	1.3
114.09164	2.3
115.05484	0.3
115.07565	3.3
116.07058	1.4
119.01881	0.6
121.02843	0.4
123.04375	0.3
123.06743	0.4
124.03931	0.7
124.07578	0.4
126.09122	2.1
127.55459	0.3
134.05978	0.4
134.99634	0.4
140.03394	3.6
145.06406	0.3
152.07045	0.6
153.01822	1.1
154.12225	3.3
155.04880	3.7
159.04338	0.4
159.11259	0.6
163.04031	0.3
163.08324	0.3
164.07025	0.7
167.03413	0.4
168.13823	0.6
171.14903	1.2
172.13303	23.1
173.02998	0.3
173.05966	0.9
173.13612	1.0
183.04395	2.8
186.14886	1.1
188.17564	0.9
192.04234	0.4
200.04515	0.3
200.13844	0.3
201.05450	4.7
203.03290	0.3
205.04930	0.4
211.03882	8.4
213.03281	0.3
217.04916	1.0
218.05722	0.6
219.02878	3.3
228.04190	1.0
229.04919	9.2
231.06580	0.6
232.03696	0.6
237.03882	0.6
239.03319	1.1
245.04407	2.4
246.05243	0.6
256.03619	1.2
257.04416	48.2
260.03140	8.8
267.02847	1.4
273.03894	11.1
273.08664	0.5
274.04672	8.2
275.05399	0.9
284.23294	0.9
285.00681	0.7
285.03891	13.9
285.21698	1.0
302.04239	1.6
302.24338	29.3
303.04944	100.0
303.24637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
54.03452	1.4
55.01845	1.8
56.96557	19.2
57.03432	3.6
61.02919	5.8
64.26451	0.6
69.03419	10.9
69.53591	5.1
70.06573	2.2
70.98100	3.7
71.05000	0.8
71.95233	0.8
72.08131	1.5
73.02897	3.5
74.06052	0.6
77.00896	0.9
81.03410	2.2
81.04529	42.5
84.08126	2.0
84.95998	0.9
85.02897	15.8
86.03243	0.5
86.09689	2.5
87.04452	1.4
88.99165	2.6
91.02451	1.3
91.03973	1.0
95.06068	1.0
96.01624	0.8
97.02885	5.9
98.20721	1.3
98.97042	0.5
98.97565	12.9
99.04425	1.3
101.00862	3.4
103.02422	1.9
107.00156	1.1
109.02853	1.4
110.07124	0.8
115.02412	1.3
116.98602	10.5
117.03905	0.6
119.01906	8.2
120.02019	0.5
120.97880	0.6
121.01647	1.2
121.03440	1.5
122.06081	2.0
122.07133	30.6
124.95458	0.9
127.00769	0.7
127.03894	6.2
128.98602	1.6
129.10190	0.6
130.04930	0.5
130.93274	0.8
131.01872	7.5
132.00813	1.9
132.01929	0.6
132.05014	2.2
133.01643	1.3
133.03459	4.9
134.03572	1.1
134.05983	1.0
134.99643	4.8
135.05043	0.6
137.02908	1.7
140.02419	1.2
140.03401	8.0
140.08163	100.0
141.01350	6.1
141.06561	1.4
141.08502	1.3
141.51381	1.1
142.96509	1.8
143.01892	1.8
144.99883	1.2
145.01537	0.9
145.03436	2.6
145.04915	1.5
146.99606	3.8
147.01367	2.1
147.03242	1.0
147.05005	0.8
148.02148	2.0
149.02931	2.2
149.04817	1.6
150.01929	0.9
150.06079	1.5
151.04477	0.8
152.06998	3.0
155.01851	0.7
156.01898	1.4
158.99683	0.6
159.01291	0.8
159.05009	0.6
160.97504	1.2
161.01402	0.5
161.02911	3.1
162.03055	0.9
162.99213	0.7
163.02670	1.9
164.00821	1.1
164.07043	0.9
165.00708	5.1
166.00360	2.2
166.50336	1.0
167.05801	0.8
168.51894	0.6
168.99901	1.0
171.01338	1.4
171.04842	0.5
172.99344	1.5
173.01074	1.2
173.02866	2.6
174.00706	0.6
174.08066	0.6
174.97679	1.0
174.99107	2.9
175.00711	1.0
175.04553	0.7
176.00848	0.9
176.04248	0.6
177.00758	3.4
177.02374	1.2
181.00127	1.1
181.01822	0.6
182.00804	0.8
182.09175	0.7
183.01753	0.7
185.02975	1.0
186.05960	0.7
187.00897	6.7
187.50934	1.4
188.04463	0.7
188.97043	1.4
189.00775	1.1
189.02429	2.3
189.04056	0.6
190.95399	0.7
190.98648	1.2
191.00334	0.9
191.02293	1.0
191.03963	2.0
192.02774	0.6
192.98741	1.0
193.00166	4.5
193.01881	1.0
194.01697	0.7
196.01337	0.8
196.04018	1.2
197.01146	1.4
198.51707	1.0
199.00986	2.1
200.02315	0.7
201.00798	1.3
202.01340	0.9
202.98637	0.7
203.03896	0.9
205.00226	1.2
206.98087	0.8
207.01747	1.6
211.03969	0.7
212.05273	1.0
212.07120	1.0
214.05154	0.8
215.00346	2.9
215.02126	0.8
215.04015	0.6
216.98616	1.4
217.01962	4.0
217.52002	0.8
217.98816	1.8
219.01782	3.3
219.03676	0.8
220.02058	0.9
221.01553	0.8
221.55130	0.7
223.01341	0.8
229.01846	1.8
229.04817	0.6
231.03528	1.9
231.30852	0.5
232.99644	1.6
233.03394	2.2
234.99635	1.4
235.99899	1.5
236.99338	0.8
237.02605	0.7
239.00674	1.7
247.03012	3.6
248.99265	0.7
249.01427	0.8
249.04573	0.7
251.00797	1.2
257.02045	0.7
257.04428	3.8
259.03152	0.7
260.02905	1.3
260.09720	0.7
260.99411	1.3
261.03043	4.9
262.02985	0.8
271.08426	1.3
273.03741	1.1
273.09045	0.6
278.00961	1.1
278.96741	2.0
279.00449	1.4
279.05399	1.5
279.09079	1.2
285.03955	1.2
288.07648	1.0
289.03946	1.9
296.97830	1.4
297.06430	3.1
302.06021	1.5
302.13431	76.9
303.04950	8.9
303.13766	1.6
321.05310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0867
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01859	0.4
56.05017	0.2
56.96553	3.4
57.03417	1.0
59.04967	0.2
60.91679	0.2
61.02922	1.3
62.74109	0.2
69.03415	2.5
70.02946	0.2
70.06570	0.8
70.98109	0.4
71.04949	0.4
71.22060	0.6
72.08138	0.6
73.02893	0.8
78.03445	1.0
81.03400	1.1
82.56180	0.3
83.01358	0.3
84.04504	0.4
84.08111	0.5
85.02893	7.8
86.09665	0.7
87.04453	0.5
91.03934	0.7
93.25171	0.2
94.02898	0.4
95.04934	0.3
97.02876	2.7
98.97545	0.6
99.04409	0.4
105.03353	0.6
109.02861	0.7
110.07109	0.3
112.07579	0.5
113.25916	0.2
116.07110	0.5
116.98620	0.5
119.01856	0.5
122.02334	1.1
127.03909	1.8
134.06021	0.5
134.99664	0.3
136.06085	0.3
140.03398	100.0
141.03749	1.0
144.98047	0.4
145.04909	1.6
146.99628	0.3
149.04759	0.3
152.07030	0.7
155.04877	0.5
156.03436	0.3
160.06335	0.4
161.01051	0.6
162.99115	0.7
165.00766	0.3
170.06773	0.5
174.04398	0.4
177.00594	0.3
177.02312	0.3
178.07433	0.6
181.00180	0.4
183.04393	0.5
186.04376	0.8
189.02377	0.4
190.07472	0.5
201.05418	0.7
204.05446	0.7
205.00136	0.6
211.03912	1.0
217.05122	0.3
219.03059	0.5
223.01132	1.1
226.07437	0.3
229.02783	0.2
229.04848	1.3
232.08408	0.3
244.08740	0.2
245.04405	0.4
253.07507	0.4
256.03778	0.3
257.04410	7.8
260.03049	1.8
267.02753	0.3
271.08548	0.3
273.03912	2.1
273.08881	0.5
274.04730	1.8
285.03952	1.7
297.06454	0.7
302.04898	0.3
302.08636	2.0
303.04947	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2155
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
54.41419	3.6
55.05499	8.9
57.07058	12.3
64.44244	3.3
65.33057	3.4
67.05486	19.1
69.03417	8.3
69.07046	13.1
70.06564	7.2
70.30129	20.4
73.09575	4.5
79.05475	15.9
81.07050	32.5
83.04974	4.1
88.07619	9.0
91.05447	21.6
93.07040	33.2
93.07632	4.6
95.04944	15.4
95.08586	24.1
97.06537	8.6
98.11858	4.1
105.07005	52.1
106.08640	6.6
107.08582	37.8
109.06502	33.2
109.10136	32.7
111.08092	4.3
115.05457	4.2
117.07003	17.5
119.08555	53.7
121.06490	7.3
121.10117	33.0
129.06984	9.1
130.07730	5.0
131.08537	38.3
133.10106	38.5
135.08051	19.4
135.08943	3.5
135.11691	7.0
137.09642	5.8
141.06931	4.7
142.07732	7.8
143.08553	21.8
143.09489	3.7
144.09300	7.2
145.10109	48.1
146.07240	5.2
147.07951	7.0
147.11678	20.2
149.09619	5.2
149.13226	6.6
155.08595	4.6
156.09340	6.9
157.10101	17.2
158.10919	12.8
159.08072	6.2
159.11668	17.3
161.09607	57.5
161.13228	5.4
169.09991	4.9
171.11681	14.8
173.09592	7.4
173.13240	100.0
174.13692	4.6
175.11230	7.7
175.14781	9.9
179.08487	11.3
183.11667	9.2
185.13245	5.9
187.14809	6.1
191.14267	27.1
195.11594	6.8
195.67473	3.8
197.13283	4.5
199.14847	10.5
201.12737	7.9
201.16504	6.3
209.13213	14.4
213.12697	3.8
217.15739	4.5
223.14771	5.9
227.14297	8.7
233.04367	4.0
265.19305	7.1
283.20596	13.5
284.29489	4.6
301.21576	40.9
302.30539	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20706	0.2
55.05487	0.3
57.03419	0.4
58.06355	0.3
58.06587	3.0
62.51568	0.2
67.05475	0.5
69.83360	0.5
69.83779	1.2
70.06588	0.4
71.08619	10.7
72.08141	2.9
72.72912	0.2
75.18915	0.2
79.05470	0.3
81.07036	0.5
84.04486	0.2
84.08130	1.3
86.06049	2.5
86.09677	0.3
91.05463	0.4
93.07009	0.5
95.08576	0.2
98.21423	0.4
99.08078	18.4
100.08401	0.5
107.04974	0.4
112.11217	2.1
114.09149	3.1
119.08539	0.3
121.10112	0.5
127.90965	0.2
128.10696	10.1
142.12241	0.4
145.13268	0.4
155.15379	0.9
156.13812	100.0
157.14201	2.5
159.61259	0.2
170.15364	0.5
180.71199	0.2
185.16470	1.3
193.03110	0.3
199.25662	0.2
202.19058	1.1
209.11768	0.6
227.21111	0.4
241.08202	0.2
242.44447	0.2
273.03842	0.5
282.25345	1.5
283.23718	2.0
285.07590	0.3
300.05853	0.7
300.26407	73.4
301.03448	0.3
301.16885	0.3
301.26675	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	300.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05500	1.2
57.03426	0.6
57.07063	7.7
58.06585	3.8
67.05494	1.9
68.99757	0.5
69.07043	1.1
70.06580	2.4
71.04980	3.6
72.08142	7.7
79.05470	1.0
81.07029	1.7
84.08132	2.8
85.02837	0.6
85.06532	14.0
86.06826	0.7
86.09682	2.6
88.03982	0.6
91.05473	1.3
93.07026	1.4
95.08591	1.2
97.02887	0.9
97.86943	0.6
100.07605	5.0
103.78119	0.5
105.06976	0.9
107.04939	0.6
107.08572	1.1
112.11233	2.4
114.09148	6.2
121.06422	0.6
127.12283	1.1
128.10698	50.1
129.11060	1.0
132.10129	0.7
137.02296	1.9
137.05925	0.6
139.03868	0.9
141.01839	0.8
141.13889	1.4
142.02150	1.0
142.12251	95.8
143.12560	2.0
147.29010	0.5
149.06027	0.8
153.09024	0.9
156.13809	5.1
165.01820	4.4
166.02129	3.7
167.03419	1.0
183.02876	4.0
184.03168	3.4
184.45488	0.5
194.67143	0.5
198.06592	0.6
199.18143	1.7
212.07425	1.9
213.19672	0.8
225.06454	3.5
226.07346	0.8
240.08788	8.9
241.09064	1.1
268.08194	0.7
271.06046	0.9
272.06689	1.2
272.11139	0.8
273.03973	2.6
282.25449	2.1
283.23737	2.6
285.07471	1.3
299.05484	3.9
300.05939	29.2
300.10852	4.7
300.26413	100.0
301.06485	3.2
301.11230	1.0
301.26746	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
67.14574	0.5
70.06564	0.7
71.01346	1.4
71.21667	0.4
71.21980	1.1
72.08149	0.9
72.22276	0.4
72.98718	0.4
73.02892	0.7
74.85793	0.5
84.04483	0.6
86.09666	0.5
95.42902	0.4
109.05100	1.2
110.07133	0.6
119.03541	0.6
123.06654	1.0
126.05130	0.4
127.06156	0.7
133.05061	1.3
136.06166	100.0
137.04520	1.5
137.06522	1.1
150.07738	1.5
151.06120	3.7
152.05659	1.1
164.05661	5.6
168.05124	0.6
168.08839	5.1
178.07217	18.1
180.05202	0.6
190.07210	1.9
204.05371	0.5
252.07220	3.1
254.08865	1.0
282.08377	2.0
300.06012	0.8
300.09384	6.5
300.13052	3.0
324.85962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72715	1.3
56.96547	3.8
62.82931	1.6
69.88414	9.1
87.62035	1.7
98.97572	42.8
107.14361	1.5
116.98608	40.3
119.01897	8.3
120.01995	2.8
121.01637	2.7
125.15588	1.4
126.36974	1.4
132.05054	2.8
134.99638	24.8
137.02943	3.3
138.03059	1.8
153.00697	2.9
155.07043	3.5
156.07431	1.7
162.06618	2.6
176.08287	1.8
177.00920	25.8
178.01077	10.3
179.00694	13.9
188.08345	2.5
190.06285	2.0
198.37622	1.5
201.00951	6.2
204.02583	1.9
205.02240	1.7
214.04198	1.4
214.06216	2.3
218.03598	2.9
219.01978	100.0
220.02077	25.5
221.01721	21.0
222.02133	3.0
234.03217	2.0
234.99855	2.4
240.98621	2.6
242.03571	4.4
245.01746	3.0
251.97958	2.8
252.97105	1.9
256.05267	3.2
258.03046	19.6
258.99646	33.9
259.02362	2.4
259.03430	1.5
259.99960	2.4
261.03149	5.4
262.03009	7.7
263.02817	54.5
273.02853	2.6
274.06253	5.2
275.97910	3.1
276.04016	17.5
276.97522	2.8
277.00540	49.1
277.04398	4.4
278.00891	2.7
282.03229	3.5
282.99936	4.2
286.04422	2.4
292.60141	1.6
293.98425	1.9
294.97992	2.3
299.97864	4.1
300.04092	23.0
300.09784	28.0
300.97748	3.0
301.01114	7.4
301.04227	2.0
301.09448	1.9
317.99023	9.2
318.05020	2.9
318.07632	1.7
318.10794	1.8
318.98544	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	299.2
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.19278	1.6
53.00295	2.1
53.03931	3.0
55.01861	4.1
55.05266	1.9
55.05504	19.0
57.03428	9.3
57.07062	4.1
57.36997	1.5
59.40285	1.6
60.04524	2.1
64.89407	1.4
67.05492	18.5
69.03425	9.6
69.07050	8.4
71.04975	5.3
71.50761	3.0
79.05479	15.4
81.03398	4.3
81.07044	22.7
83.04971	3.4
83.08608	10.5
85.06538	3.9
91.05460	22.8
93.07031	22.1
95.04955	45.4
95.08580	15.2
97.02869	2.8
97.06522	5.0
99.00810	12.2
103.05441	2.5
105.07014	34.9
107.04947	2.7
107.08578	26.5
109.02853	4.4
109.06489	21.5
109.10128	12.0
110.18465	1.9
111.04421	2.2
111.08047	5.4
113.09673	2.0
115.03899	2.2
117.07000	12.4
119.08559	50.9
121.06464	10.4
121.10127	15.7
123.08046	3.1
123.11687	3.6
125.09592	2.7
128.06197	3.7
129.06978	7.6
130.07758	4.1
131.08559	15.2
133.06371	1.6
133.10098	31.7
135.08026	13.5
135.11639	6.0
137.09604	6.2
139.07532	2.7
141.06920	4.2
142.07791	4.4
143.08534	21.0
144.09323	3.5
145.10089	40.8
147.07993	2.3
147.11665	7.1
149.09566	4.7
151.11139	6.8
153.06999	2.6
154.07759	2.7
155.08511	7.2
156.09322	7.3
157.10092	16.0
158.07246	7.4
158.10855	2.3
159.08034	6.2
159.11652	12.7
160.04213	2.1
161.09604	17.0
161.13223	3.5
163.11273	3.9
166.07806	1.9
167.08510	3.8
168.09264	2.8
169.10088	9.6
170.10844	4.1
171.08099	2.9
171.11676	15.5
173.09595	14.3
173.13187	12.4
175.11130	2.8
178.07806	1.7
179.10619	5.9
181.10046	4.4
182.10858	4.7
183.07986	1.7
183.11650	7.7
184.12340	2.9
185.09587	2.1
185.13217	8.0
187.11194	3.3
187.14735	3.3
189.09045	4.5
189.12694	4.7
189.16327	4.6
192.09360	1.8
193.10149	3.0
195.06506	8.2
195.11665	4.2
196.12439	1.7
197.09642	2.2
197.13251	10.4
199.11133	5.7
199.14783	6.6
200.15421	2.2
201.12637	4.1
207.09967	2.0
207.11758	2.4
208.12561	2.7
209.13113	2.2
210.10309	1.7
211.11124	4.0
211.14824	5.7
212.12009	2.3
213.07463	1.9
213.12672	4.9
213.16408	3.2
215.14246	6.0
217.15819	2.8
223.14790	7.6
225.10881	8.3
225.12840	5.9
239.17998	2.0
240.15085	2.5
241.15718	8.1
243.13736	7.8
253.19460	13.2
257.18964	11.2
263.17981	3.6
271.20624	2.0
281.18973	19.6
299.05698	4.9
299.15164	14.9
299.19992	100.0
300.20523	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	299.2
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
53.03934	2.4
55.01844	3.5
55.05507	14.8
56.09799	1.9
57.03415	4.3
57.07059	4.3
67.05495	13.6
69.03400	6.9
69.07040	6.9
70.24075	7.4
71.04982	4.5
71.62518	1.8
79.05482	12.4
81.07037	15.8
83.04949	4.0
83.08609	14.0
84.71582	1.7
85.06506	3.1
86.61915	2.0
91.05460	19.2
93.07030	17.9
95.04951	31.0
95.08585	10.5
97.06508	6.5
105.07015	38.5
106.14366	1.9
107.04964	2.3
107.08565	27.5
109.06493	18.9
109.10130	9.1
111.04411	1.8
113.09628	2.3
115.05450	2.9
116.98596	1.7
117.07008	10.8
119.08562	70.0
121.06457	8.2
121.10093	9.9
123.08051	3.6
125.09615	4.9
128.06187	5.1
129.06978	6.2
130.07777	8.6
131.08546	16.3
133.10144	14.1
135.08025	17.2
135.11662	4.1
137.09595	6.4
141.07018	1.9
142.07726	6.6
143.08540	22.8
145.06435	2.3
145.10101	76.5
146.10457	2.2
147.07990	5.2
147.11664	5.1
149.09587	4.2
151.11246	2.1
155.08507	11.2
155.10596	2.4
156.09328	10.2
157.10101	18.6
158.07240	14.3
158.10869	2.7
159.08051	4.4
159.11664	11.4
161.09634	10.0
163.11153	3.6
167.08499	3.6
168.09329	3.0
169.10106	7.7
170.10887	4.1
171.08005	2.4
171.11652	16.5
173.09612	26.1
173.13167	8.6
180.09325	2.1
181.10094	5.0
182.10838	3.9
182.59937	1.9
183.08020	1.9
183.11655	8.8
185.09518	2.2
185.13266	5.5
187.11179	6.3
187.14763	2.8
189.12746	10.5
192.09251	2.2
193.10075	6.6
195.06514	4.7
195.11641	7.0
196.12422	2.1
197.13261	15.2
199.11154	6.7
199.14801	11.6
201.12706	5.6
203.14299	4.0
207.11644	2.9
208.12442	3.2
209.13373	3.2
210.10382	2.1
211.11179	3.6
211.14795	4.2
213.07619	1.9
213.12749	6.6
213.16304	4.6
215.14291	5.5
217.12128	1.9
217.15999	2.6
221.13179	2.7
223.14743	11.7
225.12834	8.6
227.08018	2.0
232.16092	1.9
239.14177	2.2
241.15828	12.0
243.13774	7.8
253.19485	4.4
255.11293	3.4
257.18988	22.0
263.17908	3.4
271.20432	3.8
281.19016	16.2
284.11374	2.5
299.05685	2.1
299.14722	3.0
299.20020	100.0
300.20358	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
50.41799	0.7
53.03928	1.0
55.05492	3.5
57.07052	1.4
59.04959	0.8
67.05491	5.4
69.03416	1.6
69.07040	1.3
70.33463	1.6
70.33862	2.1
71.04959	1.0
79.05489	6.0
81.07047	4.9
83.04956	1.9
83.08597	3.1
87.02306	0.7
91.04927	1.4
91.05467	27.9
92.05820	0.8
93.07031	6.1
95.04935	2.4
95.08583	5.5
100.71396	0.7
103.05448	1.4
105.07008	15.8
107.08565	7.5
109.06497	2.2
109.10101	1.8
115.05454	2.4
116.06230	6.5
117.07018	1.3
119.04922	7.7
119.08559	14.9
121.06522	1.0
121.10128	6.5
123.08042	2.6
123.11724	0.9
125.09610	3.0
128.06195	1.4
129.06993	9.8
131.08549	45.7
132.08914	1.1
133.06442	1.6
133.10135	3.6
135.08043	1.7
135.11691	1.1
141.07021	0.8
142.07762	2.1
143.08542	2.4
145.06444	1.1
145.10121	2.3
147.08020	0.8
147.11650	2.6
149.09599	3.8
155.08522	2.0
156.09297	2.8
157.10107	4.8
159.08026	100.0
159.11627	2.1
160.08385	2.0
161.09572	2.0
161.13235	1.5
163.11174	1.4
166.07762	1.0
167.10609	0.9
169.10086	3.4
171.11667	6.4
175.11101	1.8
183.11684	2.1
184.12434	1.2
185.09622	1.6
189.12717	3.8
193.10104	0.9
195.06491	1.5
195.11639	1.6
197.13240	2.3
199.11105	4.7
199.14737	1.0
201.12691	1.5
206.10976	1.1
207.11626	2.1
208.12180	0.8
209.13278	1.8
210.10316	1.2
211.11093	1.1
213.12730	0.9
215.14342	1.4
221.13130	1.6
223.14891	2.7
225.12721	3.4
239.14215	1.6
239.17911	1.0
243.13809	2.1
255.17378	1.0
257.18945	2.4
263.17929	2.9
281.19049	21.0
282.19376	0.9
299.20020	41.7
300.20251	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	299.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18773	3.2
53.03929	10.7
55.01838	5.8
55.05503	32.8
57.03409	12.7
57.07049	4.7
65.03905	3.6
66.38079	4.2
67.05494	79.9
69.03398	4.0
69.07051	21.3
70.06570	6.2
71.01318	6.9
71.04971	6.9
71.70332	5.8
79.05478	100.0
81.03397	17.1
81.06598	6.4
81.07036	62.8
83.01335	4.6
83.04974	20.8
83.08607	10.1
84.04470	4.2
85.06512	4.9
91.05467	74.6
93.07026	87.1
95.04954	25.3
95.08588	34.8
97.02890	4.4
97.06507	12.0
97.10097	6.3
105.04517	4.4
105.07005	69.4
107.04929	8.7
107.08565	31.9
109.06477	13.8
109.10117	16.0
111.04367	4.3
115.05452	3.7
116.52392	3.8
117.06966	13.1
119.08562	42.5
121.06506	6.3
121.10110	6.7
123.08040	5.8
123.11678	4.4
129.06989	19.2
131.08522	4.1
133.10123	22.1
135.08011	7.3
135.11621	4.6
137.05846	5.4
143.08508	15.4
145.10118	23.5
147.08006	4.8
147.11647	59.7
149.05864	4.5
159.11650	9.9
161.09583	10.5
161.13200	18.6
171.11639	41.5
189.12688	13.3
195.06525	15.4
207.13765	28.5
239.14503	3.9
281.17432	79.5
299.05496	18.9
299.09100	11.7
299.12421	7.8
299.20035	15.5
299.23465	8.0
300.06207	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	299.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62267	11.5
54.71676	9.5
55.05502	24.8
57.03430	16.3
59.04983	14.3
67.05490	65.2
69.03423	13.3
69.07045	19.8
69.73575	77.7
73.48972	10.4
77.11766	10.4
79.05473	92.3
81.07043	77.3
83.04965	18.6
83.08608	19.0
90.91178	10.1
91.05466	96.6
93.07028	77.7
95.04942	30.1
95.08586	53.7
97.10191	10.2
105.07008	64.3
106.24440	9.2
107.08580	28.7
109.06529	12.5
109.10121	21.1
111.08069	11.8
117.07057	17.2
119.08586	45.7
121.06474	11.5
121.10095	19.7
129.06987	30.9
131.08566	60.6
133.10107	29.3
136.06169	11.0
143.08545	17.5
145.10112	26.0
147.11630	54.8
157.10156	11.9
159.08032	100.0
159.11702	10.4
161.09563	11.0
162.23730	9.4
164.25734	9.9
171.11647	30.2
189.12729	14.1
195.06429	29.9
207.13783	21.7
213.07683	15.4
281.17484	45.2
286.51047	10.9
299.05478	26.0
299.09042	12.4
299.20172	61.4
299.23056	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	299.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.05493	9.8
57.03422	20.5
57.07050	6.9
57.34529	4.8
61.02932	28.8
65.03966	6.6
65.39658	4.8
67.05487	36.7
69.03420	78.8
69.07056	26.9
70.05430	28.9
70.06564	7.2
71.04984	54.4
74.93717	4.7
75.04469	6.2
79.05472	27.1
81.03409	19.7
81.07043	37.1
81.45049	5.7
83.04949	28.1
83.08618	17.0
83.22709	5.8
83.42757	6.0
85.02906	39.7
85.06531	6.9
87.04459	27.4
91.03947	42.2
91.05456	33.6
93.07024	65.5
95.04950	34.0
95.08577	39.3
97.02867	37.9
97.06505	5.3
101.26054	4.9
105.06999	53.3
107.04942	8.6
107.08583	27.1
108.54945	5.1
109.06506	14.0
109.10141	100.0
111.04422	32.1
115.03907	26.4
119.04916	5.2
119.08565	36.5
121.06499	11.6
121.10135	22.7
123.04420	38.2
123.08042	17.2
123.11693	17.0
125.09624	12.4
127.11172	52.3
129.07022	10.7
131.08560	31.2
133.04962	11.7
133.10086	13.5
135.08035	6.7
135.11670	15.9
137.05875	7.2
137.09598	16.2
141.05443	17.1
141.12701	39.9
143.08559	9.6
143.10670	16.8
145.10101	12.7
147.08038	15.7
147.11687	24.7
149.05849	5.3
149.09573	9.3
149.13252	15.1
157.10095	14.5
159.06506	34.0
159.08063	15.2
159.11629	5.2
161.09534	5.7
161.13220	7.6
165.09143	7.7
165.12759	6.1
167.14331	12.5
173.09659	6.3
173.13278	9.6
175.11118	10.5
177.09108	20.2
179.14275	7.1
191.14297	15.1
192.96565	5.2
193.12259	6.2
195.06496	8.2
197.06026	5.4
199.14635	7.9
205.45387	5.3
225.05403	7.0
227.07155	5.2
227.14359	9.5
245.15341	17.4
251.16319	7.5
263.16351	22.9
267.15802	6.6
271.05783	5.9
281.17453	20.7
285.07590	7.2
299.05511	39.1
299.09155	12.9
299.12650	5.9
299.18597	22.4
300.10007	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	299.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.6
55.05508	56.2
57.03421	29.5
59.13815	8.1
60.31965	8.0
67.05497	88.5
69.03407	9.7
69.07037	17.6
69.40035	65.9
69.40443	19.2
71.04967	14.7
75.18996	7.2
76.23451	7.2
79.05483	92.5
81.03408	29.5
81.07046	80.2
82.90109	7.7
83.04952	23.8
83.08610	30.8
85.06555	11.4
91.05458	75.7
93.07037	100.0
95.04958	34.6
95.08598	44.2
99.00797	18.9
100.24026	7.4
105.07014	69.5
107.04929	7.7
107.08582	33.5
109.06499	15.8
109.10131	23.6
111.04436	16.5
111.08047	8.1
117.07016	21.8
119.08566	45.9
121.06514	9.5
121.10097	12.3
123.07988	10.8
129.06969	19.6
131.08559	15.0
133.06372	8.3
133.10109	30.9
135.11687	8.9
143.08519	17.9
145.06447	9.9
145.10127	19.1
147.11641	35.9
151.11118	13.2
159.11694	14.1
161.09647	31.2
161.13268	16.4
166.27438	8.6
171.11655	39.7
189.08995	9.6
189.12730	12.7
195.06488	27.4
207.13895	20.3
225.11157	16.1
281.17484	33.0
284.06757	30.4
290.92343	8.1
296.55084	8.1
299.05469	25.0
299.09070	44.7
299.14838	29.9
299.19977	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1636
Annotation	Auraptene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05494	1.1
57.03387	0.8
57.07057	1.2
61.35236	0.7
67.05476	2.9
69.07049	1.8
79.05464	2.6
81.07042	15.4
83.08614	1.1
91.05471	9.1
93.07013	0.8
94.68729	0.6
95.08588	6.6
98.20747	2.1
103.05511	0.7
105.06992	1.3
107.04933	12.9
109.06496	0.7
109.10162	1.1
119.04929	11.7
119.08598	1.8
133.10112	1.0
137.13231	4.3
145.06474	0.8
149.06018	0.9
159.04366	1.9
163.03879	100.0
164.04243	1.4
173.05956	0.9
175.34285	0.7
186.76193	0.7
187.07458	0.8
189.05466	3.0
195.06494	2.4
201.05389	2.0
213.07478	1.0
215.06979	1.8
229.52087	0.7
238.96982	0.7
286.37943	0.7
299.09171	1.0
299.16254	4.2
299.19836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01864	8.0
55.05502	20.7
57.03428	12.2
57.07057	1.7
59.04984	1.8
61.56571	0.8
62.17032	0.7
63.86579	0.8
65.03954	1.1
67.05141	1.7
67.05492	25.7
68.99757	1.8
69.03404	3.5
69.07046	5.0
70.02939	1.1
70.06577	4.5
71.01339	13.9
71.04966	1.6
71.69420	1.1
72.08127	2.9
73.02908	1.2
74.00632	1.2
79.01837	1.4
79.05478	19.8
81.03388	4.4
81.06601	1.5
81.07041	20.4
83.01325	1.7
83.04954	3.9
83.08585	7.5
84.04498	0.9
84.08137	2.5
84.51742	0.7
85.02904	1.2
85.06520	1.9
86.09676	3.1
88.03973	13.0
91.05454	16.8
91.97690	0.8
93.07027	10.7
95.04412	0.8
95.04936	5.0
95.08594	5.3
95.75967	0.8
97.02874	2.8
97.06503	3.2
97.10142	7.7
99.00797	1.1
100.07514	0.9
101.02384	0.9
105.07012	11.1
107.04935	2.8
107.08578	10.8
109.02839	2.0
109.06494	2.8
109.10136	11.3
111.04406	2.3
111.08066	1.1
115.05415	2.1
117.07005	4.4
119.04903	2.4
119.08547	4.4
120.01146	1.8
121.02882	1.3
121.10107	1.7
123.02629	0.9
123.04440	1.8
123.08040	2.3
123.11720	1.3
125.05922	1.0
125.09616	5.2
126.66481	0.9
127.03852	1.3
127.07469	1.0
127.11190	1.4
128.06224	0.9
129.07010	1.5
130.04976	1.1
131.04906	1.0
131.08548	1.4
133.06454	1.3
133.10115	6.3
135.04404	2.1
135.08031	4.5
137.02312	9.5
137.05899	3.8
137.09575	2.5
141.01772	5.3
141.06966	0.9
143.08478	0.8
146.03560	4.7
147.02571	0.9
147.04395	2.0
147.07895	1.0
149.05933	2.3
151.02087	2.8
151.07541	0.9
151.11145	3.2
153.09042	3.8
161.09579	3.6
163.03900	1.1
165.01817	22.5
167.03375	1.2
171.10158	1.1
175.07498	2.0
177.05466	2.0
178.06201	7.7
179.01581	6.8
179.10661	2.3
183.02852	19.0
185.06009	0.8
186.86522	0.8
189.09024	1.3
189.11160	0.8
195.06543	3.6
197.05981	3.6
197.11694	1.4
207.10075	1.1
211.04207	10.6
211.07532	1.7
213.05655	1.3
213.07591	1.6
215.03441	1.5
224.04704	1.0
225.05484	5.6
225.11140	10.9
225.56700	0.8
239.07002	1.9
243.06517	1.5
243.12280	1.1
253.04909	2.9
271.05945	9.1
271.08878	1.2
281.04422	2.4
281.13821	2.2
285.07471	3.3
299.05460	100.0
299.14981	21.7
299.19968	1.8
300.05927	9.1
300.09753	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	7.2
53.03930	4.2
55.01874	6.4
55.05507	22.4
57.03431	15.7
59.04976	2.2
65.03899	1.5
67.05495	22.3
69.03405	4.1
69.07043	4.7
70.06562	2.8
70.66483	4.0
71.01350	7.9
71.04972	2.7
71.08607	2.1
72.08121	3.9
73.14839	1.1
79.05492	13.6
81.03413	7.3
81.06609	1.9
81.07046	23.8
83.01331	1.2
83.04963	4.7
83.08617	15.6
84.04486	1.7
84.08110	3.7
86.09705	1.5
89.25131	1.1
91.05451	21.1
93.07037	18.1
95.04967	7.9
95.08569	6.7
97.02865	5.4
97.06511	5.0
97.10129	3.4
98.97577	1.3
99.00798	21.9
99.08070	4.0
101.02345	1.5
105.07009	19.7
107.01279	1.9
107.04947	8.7
107.08581	10.1
109.02860	12.0
109.06475	5.6
109.10133	7.5
111.04414	3.1
111.08064	4.6
115.03866	1.6
117.06987	4.2
119.04900	1.9
119.08562	10.3
121.02858	6.3
121.06498	7.1
123.04444	3.1
123.08025	2.1
123.11645	2.9
125.09601	2.7
127.03888	4.8
128.06189	3.0
129.06979	2.1
131.08572	2.7
133.06427	2.1
133.10107	33.9
135.08064	2.4
135.11673	1.9
137.02281	4.9
137.05930	3.4
137.09558	1.6
139.03860	1.7
139.07480	2.6
143.08524	4.3
145.06482	1.5
145.10086	1.6
151.07498	1.9
151.11169	13.6
153.01889	1.5
156.13815	16.3
160.45723	1.1
161.09598	20.0
163.11166	2.2
169.06393	1.8
171.08032	4.1
179.10658	15.2
189.09055	13.9
195.06537	7.0
197.05963	10.5
197.09952	1.4
197.11665	5.7
207.10155	6.8
212.04961	4.3
213.07468	1.5
215.03387	6.1
225.05429	19.6
225.11203	18.8
229.04814	2.0
243.02901	1.6
243.06490	3.4
243.12234	4.6
253.04895	9.4
260.03189	1.4
261.03796	1.7
271.02319	4.0
271.05917	24.2
274.96869	1.4
281.04510	7.8
281.13721	1.5
284.03094	2.0
284.06345	1.4
285.07507	1.7
299.01825	12.4
299.05432	100.0
299.14944	34.6
299.23105	7.5
300.05759	7.0
300.09702	1.9
300.15179	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	298.0963
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.43833	0.2
53.55996	0.3
55.29236	0.2
55.84592	0.2
61.01139	4.7
69.03415	0.3
69.39465	0.8
69.39883	2.1
70.06564	0.3
75.02688	2.2
97.02881	1.6
103.02143	0.5
110.14659	0.3
119.03523	0.7
136.06163	100.0
137.04555	0.5
137.06512	0.9
139.56003	0.3
145.03142	1.2
157.51701	0.2
163.04218	1.1
197.05939	0.9
215.03384	0.6
225.05394	2.5
243.06415	0.4
253.04982	1.0
271.02686	0.5
271.06027	2.4
281.04413	0.6
298.04523	1.3
298.09653	2.8
299.01849	1.2
299.05414	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	298.1141
Annotation	Nelarabine
Peak:m/z	Relative Intensity
56.96556	2.8
57.03406	0.7
61.01133	1.0
69.03413	1.0
69.77718	4.4
70.06573	1.2
72.08154	0.6
75.02677	0.8
79.64188	0.5
81.07032	0.9
84.08125	1.4
85.02896	1.1
86.09656	0.7
97.02881	1.4
98.97596	1.7
102.42690	0.5
109.05106	1.0
110.03477	0.9
115.50505	0.5
116.98609	1.6
121.07598	0.7
122.08358	0.6
126.05331	1.0
128.04497	1.0
134.99608	1.6
136.06172	40.9
144.10846	0.5
148.06133	0.9
148.08617	0.7
149.04596	4.1
152.05653	4.6
153.04053	3.3
166.07227	100.0
167.05644	9.8
167.07091	0.7
167.07628	0.6
178.07182	0.8
178.09724	1.2
193.10902	3.0
225.05423	1.6
232.96367	0.8
237.05794	0.5
239.11351	3.5
246.59053	0.6
253.04897	0.6
267.00113	0.6
271.06143	1.2
274.97513	1.3
281.04434	1.0
284.02982	0.8
292.98563	1.1
298.11282	1.7
298.18811	0.7
298.31088	0.6
299.02368	0.6
299.05551	4.5
300.06207	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2419
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03933	4.1
55.01868	11.1
55.05499	72.8
57.03419	7.7
57.07069	10.9
59.31699	2.3
65.27812	2.9
67.05489	95.8
68.05827	2.6
69.03419	6.1
69.07053	64.3
70.67148	9.1
71.04979	3.9
71.08612	18.5
73.52118	2.3
79.05478	36.7
79.28429	2.8
81.07040	100.0
83.04967	9.8
83.08607	42.4
85.06542	7.1
91.05453	17.2
93.07035	40.4
95.04961	3.8
95.08591	74.0
97.06519	15.2
97.10146	54.2
97.10716	3.5
99.08091	20.0
105.07007	14.4
107.08578	47.7
109.06484	6.3
109.10136	51.4
111.08104	4.9
111.11716	2.6
113.09610	3.2
117.07024	8.7
119.08583	12.1
119.83495	2.7
121.06479	4.0
121.10151	21.6
123.08126	3.3
123.11689	19.2
125.09611	34.4
127.11205	3.7
131.08574	7.6
133.10109	7.1
135.08057	6.3
135.11671	30.7
137.13246	9.3
141.12685	3.3
144.13651	3.4
145.10133	10.5
147.11691	11.4
149.13275	9.4
151.14819	7.5
153.09087	3.9
153.12714	15.0
159.11714	4.3
161.13286	6.5
163.11153	3.3
163.14836	8.6
165.12750	6.6
173.10379	2.7
173.11743	7.6
173.13237	9.3
175.14754	4.5
177.16382	2.9
181.12312	3.3
183.13791	15.4
187.14842	6.2
189.11153	17.0
193.15807	3.1
209.15291	2.9
233.22583	3.2
243.21039	14.7
251.23622	5.8
261.22073	35.4
265.17920	5.7
277.06335	2.4
278.21704	2.6
279.23166	81.4
297.21753	4.7
297.24606	5.1
299.75360	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	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
56.96559	26.6
59.52976	1.6
60.39756	1.2
61.01133	5.5
61.02931	1.4
69.03423	3.1
70.06580	4.0
70.98093	2.2
71.01984	1.6
71.02326	2.6
71.95267	1.9
72.08115	2.1
73.02929	2.0
75.02685	1.9
79.33743	1.3
81.04501	1.7
84.08134	3.0
85.02896	2.0
88.73389	1.3
96.08858	1.4
97.02879	4.4
98.97566	81.2
101.00896	1.6
110.07134	2.3
115.02409	3.8
116.98604	73.9
119.01126	2.0
119.01888	9.5
120.01962	1.8
122.07118	1.5
123.07879	1.5
128.98561	2.3
130.93301	2.7
133.03433	6.3
133.07568	1.5
134.98581	1.8
134.99635	46.5
136.06169	100.0
136.36494	1.2
137.02975	4.0
140.00218	3.0
145.03304	2.3
148.08681	3.1
149.07076	2.6
152.05609	1.4
152.06981	1.8
153.00688	8.7
157.03404	1.5
158.01221	3.5
158.06593	5.8
161.02959	2.8
163.04234	2.3
166.07195	6.4
166.09676	2.8
171.01363	3.3
172.94336	3.6
174.00694	1.5
174.97595	1.4
176.07613	3.2
177.00957	5.1
178.09654	1.5
185.46411	1.3
188.07657	6.1
189.02437	3.1
190.95448	8.0
192.98625	2.9
193.10867	10.3
193.98798	1.6
200.07748	1.6
208.96298	5.1
213.02431	4.2
215.07281	1.3
217.98761	1.8
219.01997	3.2
232.96411	9.2
233.01430	8.3
234.99660	5.0
235.99826	2.4
238.05557	3.0
239.11371	12.7
250.97443	7.6
251.02478	22.4
256.96375	10.5
261.03140	6.8
266.05048	3.4
274.97455	78.7
275.02252	2.9
284.06110	1.7
292.98520	66.6
293.03461	24.2
297.99002	4.9
298.09735	2.7
298.18472	6.4
298.94308	1.6
315.99994	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	297.2419
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05499	12.1
57.03407	2.1
57.07061	5.1
62.06078	4.2
64.26965	1.7
67.05490	32.7
69.07049	12.0
70.87723	6.0
71.08618	100.0
71.88583	1.7
79.05479	16.3
81.07042	55.5
83.04971	3.6
83.08623	12.8
85.06528	3.5
91.05462	17.2
92.58729	1.9
93.07024	18.4
94.07343	2.1
95.04958	2.5
95.08587	34.3
97.06516	7.9
97.10133	6.7
99.08076	98.1
100.98655	1.9
102.42020	2.3
105.06995	17.8
107.08566	12.1
109.06480	2.5
109.10153	8.1
111.08072	5.2
113.09632	2.8
117.07025	2.8
119.08549	11.8
121.10135	9.7
122.34291	1.7
123.11681	4.9
125.09597	2.0
127.11198	4.7
129.32495	1.9
131.08562	7.4
133.10095	5.3
135.11656	7.4
137.13223	4.5
139.11243	1.9
145.10112	8.7
147.11658	46.2
149.09619	2.4
149.13235	5.6
151.14812	3.6
153.12747	8.6
158.83144	1.9
159.11668	3.1
161.13264	2.1
163.11160	11.2
163.14812	15.1
165.12740	21.1
167.14209	3.1
173.13274	5.4
181.15843	10.5
187.14679	2.8
232.99118	2.2
243.21068	16.8
261.22089	18.8
279.23132	61.1
297.24286	3.5
297.33286	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	297.2419
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01849	2.4
55.05490	8.1
56.35626	1.5
57.03419	4.4
57.07064	28.3
63.48442	1.6
67.05492	46.9
69.07057	10.1
69.49532	6.1
69.49965	8.9
71.08595	1.8
79.05479	21.0
79.20340	1.6
81.07044	37.6
83.04960	5.8
83.08614	10.8
85.06510	2.5
85.10169	74.5
85.10684	3.8
89.05998	2.6
91.05468	30.8
93.07027	23.5
95.04957	14.2
95.08592	34.9
97.06490	6.8
97.10137	5.0
99.08066	3.9
105.07020	15.4
107.08572	21.7
109.10152	9.2
111.08047	3.9
112.18114	1.4
113.09627	100.0
114.09973	1.9
117.07001	6.0
119.08578	8.7
121.06487	6.1
121.10117	18.1
121.40235	1.4
123.08032	2.6
123.11673	3.4
131.08556	10.7
131.10645	3.1
133.09175	3.0
133.10115	43.7
135.08028	2.3
135.11702	7.2
137.13254	1.9
141.12624	2.0
145.10117	10.3
147.11635	4.5
149.09593	9.7
149.13223	30.3
151.11211	10.2
153.12772	1.9
154.55389	1.6
159.11697	5.5
161.13225	3.8
163.11232	1.7
165.12732	2.5
167.14261	13.9
173.13202	2.3
177.12703	4.1
177.16365	3.5
181.15814	5.1
187.14787	14.2
191.14334	2.2
205.12231	5.2
205.15872	6.3
233.22606	2.3
243.21054	7.4
248.48778	1.9
250.82707	1.6
251.23685	2.0
261.22073	16.9
279.20154	1.6
279.23151	49.7
280.23480	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	297.2209
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
52.76194	0.6
53.03934	1.0
55.05504	3.8
57.07046	0.9
59.04998	0.7
67.05490	10.6
69.03437	0.9
69.07069	4.1
70.11102	3.8
71.04969	1.9
77.03921	0.7
79.05475	13.8
81.07041	21.1
83.08596	2.8
85.06538	4.1
91.04917	1.2
91.05466	17.4
93.07031	22.6
95.04947	2.0
95.08585	15.6
97.06503	2.4
97.75495	0.6
99.08062	2.1
103.05450	0.8
105.06332	1.4
105.07011	22.8
105.07720	1.1
106.07341	0.7
107.08576	23.5
109.06497	2.2
109.10130	9.1
111.08069	6.6
113.09650	1.0
115.05445	0.8
117.06993	8.2
119.08566	18.1
121.10120	10.4
123.08056	2.4
123.11675	1.8
128.06223	1.6
129.06963	5.0
130.07759	0.9
131.08553	14.6
133.10104	12.9
135.08054	6.6
135.11665	6.5
136.06181	0.7
137.09589	4.9
141.06967	2.0
142.07773	3.3
143.08537	12.1
144.09267	1.1
145.10104	17.0
147.08064	1.8
147.11661	12.8
149.09622	3.5
149.13217	4.4
151.11140	1.7
152.80298	0.8
153.07028	0.8
155.08530	5.0
156.09308	1.1
157.10114	16.0
158.10588	0.7
159.11665	18.4
161.09569	2.3
161.13234	13.1
163.11169	2.4
163.14850	2.2
165.06966	1.0
167.08534	3.1
168.09262	1.1
169.10117	5.6
170.10826	1.7
171.11690	9.9
173.09593	1.7
173.13248	8.5
175.11267	3.2
175.14778	6.0
176.49834	0.8
177.12735	1.3
179.08522	0.9
180.09326	0.8
181.10081	3.9
182.10841	1.6
183.11641	7.2
185.13208	9.9
187.11137	3.8
187.14777	6.9
189.12680	3.9
189.16313	1.2
194.10890	1.0
195.11665	6.8
197.13229	9.4
199.14790	7.8
201.12698	5.1
201.16371	2.4
203.14267	6.3
208.12375	1.0
209.13228	6.6
211.14789	6.1
212.15286	0.8
213.12679	0.9
213.16327	4.5
215.14308	5.0
217.15904	1.4
221.13133	0.9
222.13965	0.7
223.14777	9.6
224.15451	0.8
225.16408	3.4
227.14159	0.8
227.17928	1.5
235.14737	1.1
237.16357	4.5
239.17955	6.0
241.15877	2.5
249.16396	0.9
250.17075	0.9
251.17825	2.2
253.19522	8.9
254.20103	1.2
255.17273	0.9
255.21046	3.7
264.18695	1.8
279.21039	37.9
280.21344	2.4
297.22095	100.0
298.22449	6.5
315.18671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1692
Annotation	Graphinone
Peak:m/z	Relative Intensity
51.02363	1.9
51.45027	1.5
53.03718	2.4
53.03937	33.0
55.01867	13.5
55.05494	13.4
55.50836	1.7
57.03428	29.6
58.60380	1.8
65.03918	5.2
67.05493	90.5
69.03410	3.6
69.07066	15.5
70.83614	5.9
71.04955	5.8
73.06535	2.4
77.03892	2.3
79.05024	2.8
79.05479	57.1
81.02946	3.8
81.03408	69.1
81.07042	100.0
83.04965	15.0
83.08585	8.1
84.08100	2.2
85.02847	2.2
85.06513	5.4
91.04928	2.3
91.05465	38.1
93.06435	4.0
93.07024	71.6
94.07337	1.6
95.01292	3.7
95.04411	2.1
95.04957	33.8
95.08005	3.3
95.08593	59.9
97.06495	8.1
99.08058	2.5
103.05408	2.5
105.07001	21.4
107.04935	50.5
107.08572	21.1
109.06493	9.5
109.10129	6.2
110.07263	1.8
111.04380	2.6
111.08044	7.6
113.06018	2.0
115.05444	2.0
117.06993	25.2
119.04906	5.0
119.08526	8.7
121.06490	14.9
121.10108	10.8
123.03493	1.5
123.04398	6.8
123.08053	32.5
129.06963	3.2
131.04878	3.7
131.08548	26.0
133.06450	4.8
133.10124	12.0
135.07983	5.8
135.11671	37.7
136.06128	2.9
136.12010	2.0
141.06944	11.3
143.08531	3.5
145.06458	27.7
145.10085	7.6
149.09659	2.4
149.13220	24.0
154.07709	4.3
157.10078	2.9
159.08025	5.2
159.11667	46.3
163.11171	3.2
169.10100	14.9
177.12714	32.1
177.79469	1.8
178.13029	2.0
187.11153	38.3
194.06990	1.7
195.11963	3.0
195.13737	16.5
200.20697	1.9
205.12234	12.8
223.13210	12.6
237.09109	2.3
241.14301	41.6
242.14699	1.7
279.15863	21.2
297.03839	3.5
297.11578	3.1
297.16901	67.4
298.17084	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2627
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
55.05502	53.8
55.08872	3.6
57.07067	32.1
62.27808	4.0
67.05492	63.8
69.07061	91.7
71.04973	5.4
71.08610	15.0
71.65671	7.0
72.54530	4.0
75.67010	3.8
79.05489	30.1
81.06609	6.3
81.07044	100.0
83.04972	11.3
83.08598	66.6
85.10152	5.7
87.14856	5.1
91.05476	32.6
93.07027	38.2
95.04935	5.0
95.08585	98.9
97.06511	16.3
97.10149	49.7
105.07023	32.6
107.08565	33.3
109.10119	47.0
111.08054	7.1
111.11705	18.0
115.07596	5.4
119.08561	31.4
121.10128	35.3
123.10902	4.5
123.11673	30.0
125.09640	5.4
133.10072	31.8
135.11656	18.9
137.09596	10.1
137.13231	10.2
139.11151	7.2
147.11670	38.2
149.13239	21.8
151.11139	13.3
151.14792	9.1
153.12749	6.0
161.13194	21.9
163.14798	12.1
165.12703	10.0
165.16359	7.5
175.14845	14.9
179.14310	7.7
179.17993	8.9
189.16335	11.8
193.15807	5.0
199.16980	5.3
213.18382	4.8
221.22621	17.6
245.22601	95.3
263.23654	84.2
295.16788	9.8
295.26355	7.5
295.29736	5.6
303.75436	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.28140	2.2
53.03931	5.6
55.01868	25.4
55.05234	4.7
55.05503	92.6
56.56921	2.8
57.07057	3.9
65.03927	3.2
67.05492	53.7
69.07050	29.5
70.10722	14.5
71.04988	2.5
71.08610	4.9
79.05476	30.6
81.03403	12.4
81.07043	58.3
83.04965	12.1
83.08608	100.0
85.06508	4.0
87.41493	2.6
91.05468	35.7
93.07029	39.5
95.04964	13.1
95.08584	23.4
97.06509	13.5
97.10137	5.5
99.08079	5.6
105.07017	33.6
107.08587	18.8
109.06495	7.6
109.10149	11.0
111.08061	37.5
113.09614	2.5
117.07075	3.3
119.08568	17.8
121.10127	15.5
123.08056	5.2
123.11714	5.0
125.09644	2.9
129.06976	5.1
129.09088	4.0
131.08543	10.2
133.10112	37.0
135.11668	6.7
137.09593	2.5
137.41504	3.0
139.11203	18.2
140.39555	2.2
145.10138	3.2
147.11667	24.1
149.09599	10.8
149.13237	24.5
151.11168	14.3
157.10132	16.3
159.11725	2.6
161.13252	7.7
163.11096	2.5
165.12706	23.7
167.14278	5.4
171.11684	3.9
173.13309	2.6
175.11192	11.4
175.14809	3.4
179.14296	4.8
185.13290	5.0
189.12732	3.4
208.50693	2.5
231.21207	2.7
241.19516	5.6
249.22119	3.2
259.20566	10.1
277.21582	59.3
295.22723	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03938	9.2
54.88791	2.2
55.01862	5.9
55.05504	30.0
57.03426	5.9
57.07075	31.9
67.05145	2.6
67.05497	40.6
67.79620	2.2
69.07059	29.5
69.42016	4.0
69.42420	23.8
71.04984	2.5
71.08618	4.5
79.05479	37.1
81.03411	25.5
81.06610	3.1
81.07051	42.4
83.04964	17.6
83.08612	14.0
85.06583	3.2
85.10172	80.4
88.66238	2.5
91.05469	32.5
93.07023	28.9
95.04950	25.0
95.08598	39.4
97.06499	6.0
97.10143	12.2
99.08084	3.6
105.06993	21.2
107.04944	18.9
107.08582	19.3
109.06501	8.4
109.10155	7.8
111.08074	4.5
113.09631	100.0
119.08588	11.4
121.10149	11.1
123.08054	4.8
123.11709	5.2
125.09602	2.3
129.06975	4.8
131.08569	7.2
133.10098	9.4
135.11693	4.3
137.09630	3.5
143.08446	3.1
145.09998	3.4
147.11716	13.0
149.09586	15.9
149.13261	7.2
151.11176	8.2
153.12729	4.2
157.10109	3.3
161.09598	2.8
161.13232	5.7
163.11147	17.0
165.12729	65.9
171.11702	4.6
175.11130	7.4
175.14769	2.9
179.14336	5.5
181.12186	3.4
185.48763	2.3
241.19510	3.9
259.20605	6.9
277.21600	70.1
295.17502	3.0
295.22696	79.1
313.25192	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	295.2264
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03935	4.4
54.04754	2.7
55.01868	85.7
55.05504	36.3
57.07062	8.9
57.26798	2.7
64.22506	2.8
67.05505	46.0
69.03421	3.4
69.07055	16.7
71.08614	20.8
74.53096	2.7
79.05486	29.7
81.03399	9.2
81.07051	51.2
83.04967	19.2
83.08614	27.5
85.06547	3.1
85.10165	5.1
86.17045	2.7
91.05468	26.6
93.07042	35.8
95.04968	15.2
95.08592	35.7
97.06521	31.4
97.10139	5.2
99.08083	15.9
105.07015	24.5
107.04925	4.7
107.08556	19.9
107.46561	2.9
109.06523	7.0
109.10153	17.9
111.08077	81.7
113.09637	6.2
117.07011	3.9
119.08589	15.3
121.06540	3.8
121.10169	14.8
123.08052	7.5
123.11662	6.1
129.07002	5.3
130.06665	3.6
133.10121	33.7
135.11674	14.2
137.09619	3.8
139.11169	6.8
143.08588	3.4
145.10107	4.5
147.11659	18.1
149.09621	11.4
149.13235	12.1
151.11145	21.2
157.10104	3.9
159.11717	6.4
161.13248	12.6
163.11169	6.4
165.12729	25.9
171.11665	4.2
173.13216	3.1
175.11177	4.1
175.14850	4.2
179.14365	18.9
185.13242	5.5
231.21115	3.5
241.19485	7.0
249.22154	8.9
259.20560	10.5
277.21609	100.0
295.22684	43.4
305.95047	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03941	24.6
55.01866	7.2
55.05503	29.2
56.62685	3.4
57.07064	5.1
62.94724	3.3
67.05501	51.5
69.07058	33.3
70.15749	18.4
71.08624	5.3
77.84448	2.9
79.05476	32.2
81.03403	64.5
81.07045	56.6
83.04964	15.6
83.08598	9.9
85.06523	3.1
85.10155	5.6
91.05490	20.4
92.04672	3.1
93.07026	40.9
95.04946	38.0
95.08580	17.2
97.06510	6.6
97.10165	7.1
98.21432	4.2
99.08060	6.2
100.93071	3.6
105.07002	20.0
107.08581	26.8
109.06514	9.4
109.10155	19.7
111.08055	6.2
113.09612	8.2
117.07024	4.2
118.66289	3.0
119.08566	12.8
121.10110	10.6
123.11707	4.7
125.09613	8.5
129.07007	4.3
131.08598	4.1
133.10124	15.2
135.11687	11.7
147.11667	15.2
149.13237	8.6
151.11159	43.1
153.09106	4.4
161.13229	12.4
162.51631	3.1
163.14821	4.8
165.12727	18.7
175.14836	4.1
179.14288	9.9
199.14819	3.4
207.13635	5.0
212.79428	2.9
225.90306	4.1
231.21010	9.5
239.66080	3.0
241.19502	9.3
259.20547	9.0
268.44000	3.2
277.21591	100.0
293.40347	3.2
295.22632	23.6
304.60464	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	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.05503	27.1
67.05491	55.9
69.07053	18.2
71.08620	53.8
79.05466	47.6
79.05800	4.4
81.03419	10.9
81.07042	62.4
83.04969	14.0
83.08578	9.7
91.05465	33.0
93.07034	64.5
93.85076	5.1
95.04948	8.5
95.08586	45.0
97.06495	9.3
99.08073	40.0
105.07021	17.2
105.41024	4.8
107.04934	8.6
107.08569	39.1
109.06496	7.4
109.10162	12.4
119.08580	17.5
121.10136	32.1
123.08034	5.1
133.10132	12.1
135.11690	33.1
137.09615	10.3
137.13275	4.4
141.09105	5.6
142.48900	7.2
145.10046	6.2
149.13243	13.6
151.11177	16.9
159.11639	5.4
161.13252	12.7
163.11150	7.0
179.14278	100.0
209.78606	5.0
225.26146	4.7
240.49644	5.3
277.21555	31.6
313.53592	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	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03940	5.6
53.99254	0.9
55.01860	3.6
55.05501	21.7
57.03422	2.7
57.07062	10.4
67.05145	1.4
67.05494	27.3
69.03394	1.5
69.07060	15.6
69.83910	0.9
70.02946	5.6
71.04990	2.3
71.08619	2.0
79.05479	20.1
81.03405	19.2
81.07047	29.3
83.04961	9.7
83.08601	9.3
84.23082	0.9
85.10169	15.8
91.05473	11.8
93.07034	17.9
94.91283	0.9
95.04958	19.3
95.08598	15.5
97.06500	3.6
97.10145	7.2
99.08129	1.3
103.47485	0.9
105.07008	9.3
107.04917	2.3
107.08598	10.9
109.06486	5.1
109.10139	8.5
111.08073	2.2
113.09632	15.9
117.06966	1.9
119.08590	5.6
121.10120	6.1
123.08076	2.2
123.11668	1.6
125.09634	4.7
128.51756	0.9
129.06973	1.4
131.08542	2.7
133.10106	5.4
135.11658	3.1
138.47058	0.9
143.08543	1.5
145.10011	1.5
147.11661	4.0
149.09622	5.3
149.13112	0.9
151.11159	6.6
153.12669	1.4
155.59398	1.0
157.10065	1.5
159.11575	1.1
161.13229	2.4
163.14870	1.3
165.12733	28.3
167.14319	1.2
171.11688	2.0
175.11107	1.5
179.14291	3.2
185.13235	1.1
189.11261	1.6
203.83275	0.9
207.13762	2.3
232.84058	1.0
241.19524	1.2
249.22145	2.8
259.20566	2.1
277.21603	55.8
278.21722	1.0
295.22644	100.0
296.23007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03934	7.0
55.01866	17.2
55.05501	35.7
57.03428	2.4
57.07066	25.5
59.04980	2.4
65.03932	2.9
67.05495	56.1
69.03408	3.8
69.07061	27.8
69.89565	13.9
71.04990	7.3
71.08633	5.2
72.78779	1.8
79.05479	35.7
81.03401	25.2
81.07047	58.8
83.04967	18.0
83.08607	17.2
83.99957	2.0
85.06525	3.4
85.10171	63.1
91.05473	36.3
93.07034	40.5
95.04958	31.3
95.08586	39.1
97.06530	11.0
97.10164	15.3
98.21455	2.6
99.08087	4.4
105.07027	27.2
105.38053	1.9
107.04926	16.0
107.08571	20.9
109.06517	8.2
109.10139	18.6
111.08078	8.6
113.09628	70.6
117.07012	5.8
119.08572	17.3
121.06494	2.6
121.10126	13.9
121.17315	1.8
123.08054	7.7
123.11707	5.9
125.09617	9.0
129.07004	4.0
131.08557	8.5
133.10092	20.5
135.08038	2.1
135.11682	8.3
137.09637	4.1
139.72517	2.4
143.08566	3.0
145.10080	5.4
147.11664	13.5
149.09607	15.3
149.13290	5.1
151.11166	16.4
153.12732	4.0
157.10095	4.0
159.11621	2.4
161.13298	5.2
163.11215	11.6
165.12730	58.2
165.14049	3.9
167.10622	2.2
171.11702	5.5
173.13206	2.3
175.11177	6.4
175.14812	2.4
179.14319	5.4
207.13734	3.7
241.19565	3.5
249.22241	6.7
259.20547	11.2
261.08316	2.1
273.28470	1.9
276.99780	2.0
277.21582	68.1
282.04074	2.0
295.22635	100.0
296.16354	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	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.01187	4.8
53.03938	11.3
55.01863	43.7
55.05499	67.6
57.07066	15.9
67.05496	85.3
69.03415	11.0
69.07063	47.0
69.43281	23.7
69.43713	29.4
71.04984	6.1
71.08614	29.3
76.39775	4.8
77.62653	5.0
79.05481	68.8
81.03409	13.7
81.07047	89.7
83.04970	24.1
83.08617	39.6
85.10167	13.3
91.05479	50.7
93.07033	78.6
95.04971	20.8
95.08593	56.5
97.06540	14.1
97.10165	17.5
99.08084	22.7
105.07005	37.9
107.08575	33.6
109.06503	8.6
109.10149	35.8
111.08083	42.2
117.07034	11.0
119.08565	27.0
121.10156	27.5
123.08067	8.0
123.11709	9.7
125.09607	10.6
129.06989	8.8
131.08539	11.4
133.10086	26.5
135.11656	28.1
137.09625	6.3
139.11203	7.5
145.10149	11.1
147.11716	14.0
149.09618	9.6
149.13281	18.6
151.11179	21.5
153.12766	7.3
157.10152	7.4
159.11673	10.6
161.13266	12.0
163.11224	6.7
163.14848	5.4
165.12732	28.8
167.10576	5.3
167.14369	5.6
171.11739	9.3
175.14960	5.7
177.12755	11.0
189.11266	8.9
195.13777	8.7
221.15369	5.8
249.22078	6.5
259.20563	15.6
277.21597	100.0
295.22662	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03932	3.5
55.01871	17.3
55.05499	43.6
57.03437	3.7
57.07056	7.7
57.80687	3.5
67.05148	4.7
67.05495	84.5
69.03406	5.9
69.07057	30.6
71.04978	5.3
71.08616	40.7
78.54337	3.2
79.05479	45.3
81.03401	28.0
81.07040	57.7
83.04966	19.8
83.08589	22.6
85.06508	4.8
86.09688	3.9
91.05457	26.2
93.07029	50.0
95.04955	27.0
95.08588	39.8
97.06490	11.4
97.10139	14.8
99.08083	29.5
105.07014	20.4
107.08582	26.2
109.06490	7.8
109.10122	21.5
111.08070	17.4
117.06988	5.1
119.08527	10.4
121.10136	17.2
123.08028	8.1
123.11686	6.5
125.09609	7.7
127.11175	4.9
131.08514	3.6
133.10098	19.6
135.11646	18.4
137.09607	7.1
139.11195	7.1
143.08546	3.7
145.10056	7.8
147.11647	10.4
149.09503	4.0
149.13242	7.1
151.10176	3.9
151.11174	32.1
153.12901	4.9
157.10083	4.5
161.13210	12.5
163.11110	6.9
165.12708	9.4
171.11661	4.9
173.13275	4.2
175.14799	8.2
179.14267	13.8
189.11035	4.8
189.12646	4.6
221.15427	4.3
229.32349	3.3
241.19485	4.6
259.20465	8.0
271.13147	4.1
277.18649	6.4
277.21576	100.0
277.24588	5.0
295.22632	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	7.7
55.01869	36.1
55.05509	72.7
57.03422	4.5
57.07064	11.5
58.43276	2.8
65.03920	7.0
67.05496	99.5
69.03402	4.1
69.07063	36.3
69.36199	3.5
70.07170	9.7
70.07590	9.3
71.04987	4.6
71.08623	38.3
79.05489	63.9
81.03410	28.6
81.07048	86.7
83.04976	21.8
83.08604	32.4
85.06530	6.1
85.10181	7.0
91.05476	48.4
93.07027	74.4
95.04965	29.4
95.08583	49.9
97.06543	17.1
97.10158	25.8
99.08075	27.0
105.07018	38.2
107.04912	4.1
107.08582	47.7
109.06513	12.1
109.10121	26.7
110.95338	3.9
111.08053	34.1
112.76596	3.5
113.09616	4.9
117.06992	12.6
119.08559	25.9
121.10149	18.9
123.08039	4.8
123.11690	10.8
125.09600	11.4
129.06981	6.9
131.08577	12.8
133.10110	26.9
135.08018	3.4
135.11670	22.5
137.09541	4.1
137.13312	3.2
139.11133	7.9
145.10106	6.3
147.11644	20.8
149.13219	18.3
151.11174	38.9
157.10165	4.8
159.11615	7.0
161.13240	16.3
163.11169	11.0
163.14821	4.0
165.12691	17.0
167.10713	4.5
170.85501	3.3
171.11694	5.2
175.14825	8.1
177.12697	3.7
179.14282	8.3
185.13284	4.3
189.11166	7.9
195.13835	5.4
221.15309	6.1
231.21028	6.6
231.96512	3.4
241.19582	6.6
247.12405	3.1
249.22215	5.8
259.20490	15.7
276.30444	3.3
277.21603	100.0
295.22687	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.42714	4.6
53.03931	8.4
55.01860	43.9
55.05278	4.4
55.05502	57.6
56.89359	4.1
57.03431	7.6
57.07065	11.8
67.05495	85.1
69.03387	8.8
69.07060	38.4
70.05220	13.6
70.05635	10.2
71.04992	7.2
71.08617	24.9
79.00148	3.8
79.05480	52.1
81.03402	27.0
81.07050	74.3
83.04953	15.8
83.08617	23.8
85.06538	6.3
85.10162	9.9
91.05469	44.9
93.07033	59.8
95.04948	20.8
95.08588	55.6
97.06519	20.2
97.10145	19.3
99.08060	23.1
105.07001	25.1
107.04932	5.4
107.08586	31.2
109.06474	11.2
109.10130	25.6
111.08042	32.8
113.09645	11.1
117.06990	9.2
119.08568	27.2
121.10116	27.6
123.08064	9.7
123.11654	10.7
125.09602	10.2
129.06953	8.2
131.08536	8.2
133.10065	24.2
135.08075	4.1
135.11658	17.1
137.09608	10.3
137.13269	4.8
139.07527	4.9
139.11142	9.9
145.10052	5.2
147.11629	23.1
149.13231	13.1
151.11128	24.9
157.10054	6.9
159.11606	4.8
161.13223	13.1
163.01547	5.6
163.11153	9.9
165.12717	23.1
171.11671	7.2
173.11839	4.6
175.14818	4.6
179.14331	7.8
185.13165	5.1
189.11177	5.0
189.12708	5.4
199.52620	5.2
221.15213	5.3
231.21094	6.7
233.47507	4.3
249.22081	10.9
259.20493	10.0
277.21579	100.0
295.22623	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.226
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.70171	1.9
53.03916	5.7
55.01854	6.5
55.05273	2.4
55.05501	27.0
57.03429	2.0
57.07055	6.2
65.03908	2.2
67.05495	54.9
69.07046	20.0
71.04974	3.9
71.08253	3.2
71.08620	44.6
71.71547	2.8
71.71896	2.4
71.88169	2.2
79.05479	47.2
81.03419	11.9
81.07046	55.4
83.04974	13.2
83.08601	12.0
85.06522	3.2
91.05465	32.9
93.07028	58.0
93.47756	2.2
95.04964	12.6
95.08587	40.1
97.06511	10.8
97.10175	4.5
99.08083	32.8
105.07001	23.4
107.04930	9.5
107.08569	33.5
109.06476	5.2
109.10136	15.7
111.08048	6.5
113.09641	3.2
117.06982	4.5
119.08566	14.2
121.10113	35.0
123.08076	4.1
123.11668	3.4
124.72147	2.0
131.08531	5.7
133.10114	16.5
135.11670	42.2
137.09636	3.2
141.09102	4.8
144.91525	2.2
145.10078	7.2
147.11678	6.9
149.13243	12.7
151.11148	19.0
153.12669	3.6
159.11632	4.6
161.13170	11.6
163.11186	6.8
163.14767	3.1
165.12663	2.7
175.14972	2.5
177.12738	4.5
179.14281	100.0
185.13214	3.3
221.15395	2.6
235.16852	2.9
252.82825	2.3
259.20535	4.8
277.21600	46.5
295.22589	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	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.52365	2.9
53.03933	9.6
55.01863	10.7
55.05503	56.0
57.03424	6.9
57.07048	6.3
58.46631	3.4
65.03922	5.8
67.05494	100.0
69.07061	43.6
70.23344	5.6
70.23741	10.3
71.04972	11.1
71.08247	6.0
71.08617	87.9
71.52644	3.4
74.00642	3.1
79.05481	71.6
81.03404	24.4
81.06608	5.8
81.07046	79.7
82.07391	3.1
83.04962	23.0
83.08600	35.4
85.06530	11.8
86.85558	3.1
91.05457	44.4
93.07033	81.8
95.04953	22.8
95.08590	56.2
97.06507	14.6
97.10152	23.1
99.08080	67.1
105.07009	42.1
107.04949	9.1
107.08575	45.2
108.08967	4.1
109.06539	5.7
109.10140	27.1
111.08040	7.4
113.09623	3.8
117.07019	8.5
119.08546	23.4
121.06500	5.1
121.10133	33.4
123.08031	3.8
123.11650	7.3
125.09619	18.6
129.07011	8.0
131.08516	10.4
133.10156	19.3
135.11684	28.6
137.09604	6.9
139.11215	3.9
143.08533	8.9
145.10101	17.7
147.11719	20.1
149.09627	4.1
149.13257	14.4
151.11163	51.7
153.12724	4.4
157.10098	6.1
159.11667	6.2
161.09566	5.2
161.13219	23.9
163.11133	24.2
165.12723	7.0
171.11658	10.2
173.13161	7.7
175.14798	8.6
179.14253	28.3
185.13229	8.1
186.13670	3.4
188.41855	3.5
189.11151	10.1
189.12741	7.5
199.14908	4.6
221.13187	4.1
231.21133	4.7
241.19466	7.5
259.20499	14.8
277.21606	99.5
295.20065	4.8
295.22870	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	295.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
55.01866	6.5
55.05284	2.5
55.05500	26.9
57.03188	3.1
57.03426	31.2
57.07053	5.1
59.04996	2.7
65.03909	2.7
67.05140	4.3
67.05492	73.6
69.07055	34.2
70.06566	3.2
71.04974	31.9
71.59339	5.4
79.05484	58.3
81.03399	3.7
81.07038	89.0
83.04957	22.9
83.08615	17.1
85.02870	10.3
85.06541	5.2
91.05460	69.6
93.06428	3.8
93.07024	75.2
95.04948	100.0
95.08000	4.1
95.08580	53.0
97.06507	39.2
97.10148	6.6
98.17535	2.8
105.06324	5.5
105.07006	71.1
107.04940	45.1
107.08570	32.5
109.06481	15.7
109.10133	24.6
111.04414	17.7
111.08048	9.1
111.11715	2.8
113.09637	3.7
117.07021	26.4
119.08554	40.3
121.06469	14.7
121.10107	15.4
123.08034	8.4
123.11676	4.9
125.09568	3.0
129.06963	13.8
131.08530	8.9
133.06451	28.5
133.10092	23.2
135.11664	17.4
137.09575	8.7
143.08511	21.2
145.10123	15.2
147.08035	4.9
147.11644	4.4
148.83263	2.7
149.02249	3.7
149.13213	4.2
151.11104	3.3
157.10094	7.7
159.11682	13.9
161.13197	26.4
163.00446	2.5
163.11151	28.5
175.11121	5.1
175.14795	10.8
177.12727	9.1
177.31184	2.5
179.14281	77.7
180.14624	3.6
185.13208	24.6
203.14232	19.7
207.07768	2.3
221.15323	78.2
221.17485	4.1
277.21683	4.5
295.09558	5.3
295.19031	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01863	7.1
55.05504	13.2
57.03422	26.4
65.55396	5.1
67.05486	30.4
69.03423	100.0
69.07046	16.4
70.06557	11.0
71.04971	12.3
71.69722	5.8
71.70114	6.1
73.02903	8.8
79.05472	23.1
81.03399	24.3
81.07040	34.4
83.04929	7.7
83.08594	9.3
84.08103	6.0
85.02887	64.3
86.18859	5.5
87.04456	41.7
91.05455	15.8
93.07020	25.6
95.04921	13.4
95.08573	33.2
97.02883	74.0
98.97583	7.0
99.04447	16.2
103.03931	10.5
103.66901	5.2
105.07005	11.7
107.08542	19.6
109.02847	10.1
109.10128	17.5
111.04411	8.1
114.03468	5.1
115.03924	56.2
116.98607	6.4
119.08554	11.3
121.10117	13.2
123.04395	9.7
127.03855	11.7
133.04936	52.8
133.10139	8.5
135.11647	7.6
145.04956	22.3
147.07974	6.5
149.02277	5.8
151.03922	12.2
159.23088	5.3
165.05403	5.8
169.04984	13.9
185.03938	7.7
235.07452	10.6
263.06949	7.9
267.06540	14.4
277.09201	8.8
295.06390	30.3
295.09619	29.6
295.15588	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	295.1649
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
52.00927	0.4
59.29868	0.3
63.29995	0.4
65.03930	0.5
67.05479	0.6
69.07051	0.8
70.06579	0.8
71.69590	0.6
72.08154	0.6
74.02412	0.7
79.05459	0.6
81.07027	1.1
84.04497	0.9
84.08112	1.4
85.02860	0.5
86.09692	5.8
91.05466	24.6
92.05817	0.5
95.08590	0.6
105.06989	0.5
107.04938	1.1
109.06490	0.7
118.06534	1.0
119.04926	16.0
119.08559	0.5
120.08070	0.8
121.02827	0.4
121.06474	2.5
121.10114	0.5
129.10194	0.8
132.10168	1.7
136.07555	100.0
137.07899	1.7
147.04362	0.7
161.10750	0.6
165.06982	0.8
193.06367	0.5
207.19110	0.4
220.32263	0.4
221.05986	1.2
249.05405	0.5
249.16013	1.4
250.14400	0.9
278.13885	1.2
295.05933	4.4
295.16403	4.0
295.22903	0.4
296.06033	0.9
315.24121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1018
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03933	1.4
53.33492	0.9
55.01854	2.3
55.05485	1.3
57.03152	1.9
57.03426	24.2
59.04982	4.2
61.02905	3.9
67.05490	2.6
67.81440	1.1
69.03420	100.0
69.07043	1.7
70.06574	1.8
71.01335	2.5
71.04993	2.2
71.69958	1.1
72.08140	1.6
72.12693	1.0
73.02905	8.0
75.04459	3.5
76.52200	1.2
79.05473	2.2
81.03404	13.0
81.07071	2.6
83.04951	2.8
84.04481	1.4
84.08103	1.7
85.02892	54.8
86.03223	1.2
86.09695	1.4
87.04456	52.4
88.03986	2.7
89.48359	1.1
91.05443	5.5
93.07012	1.9
94.06558	3.3
95.04947	1.4
95.08596	2.4
97.02879	66.0
99.04433	10.2
103.03944	8.0
107.04945	1.6
109.02866	5.2
111.04424	3.5
113.02322	1.2
115.03915	59.6
116.04264	1.9
117.05450	1.2
119.04947	1.6
120.08073	2.8
121.63245	1.0
123.04401	2.9
125.02270	1.2
127.03910	12.4
129.05447	1.5
133.04953	59.0
133.10045	1.3
136.07571	4.5
139.03876	1.9
141.05418	1.2
143.03316	1.4
145.04942	21.6
146.06003	6.3
147.04366	2.3
151.03870	3.5
152.39644	1.2
161.04410	2.9
165.05434	1.2
165.06973	1.4
169.04938	6.2
174.05461	2.9
175.06079	1.3
177.01791	1.6
187.06050	1.9
195.02756	1.3
205.06975	1.1
211.05988	1.2
221.05695	2.6
222.02600	1.1
229.07108	2.2
241.07040	3.9
252.66347	1.1
259.08139	2.5
261.29990	1.0
277.09171	4.7
295.05905	12.2
296.06284	1.2
318.97708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	7.4
54.93781	2.8
55.01859	16.5
55.05507	31.6
55.41664	2.6
56.02197	2.9
56.05832	8.5
56.96549	5.7
57.03427	4.7
60.47380	3.1
65.03944	4.8
67.05494	41.0
68.05824	14.5
69.03416	5.4
69.07066	17.3
70.06570	3.1
70.07389	3.9
71.04976	7.0
71.08611	7.0
71.22181	3.4
71.22495	3.6
79.05482	39.4
80.05820	17.1
81.03416	8.6
81.07050	69.2
81.98900	2.8
82.03713	3.4
82.07378	33.4
83.04969	10.8
83.08612	17.4
84.08158	4.3
84.08926	6.8
85.02921	4.2
85.06543	6.6
85.10186	5.3
86.64809	3.0
91.05463	26.5
92.05791	12.1
93.07022	25.0
94.07343	11.4
95.04951	59.1
95.08591	26.2
96.05285	29.1
96.08919	9.9
97.06516	8.5
97.10164	9.1
98.06812	4.0
98.10474	7.7
99.08096	5.4
105.07007	26.0
106.07369	13.7
107.04936	10.4
107.08574	25.2
108.08912	17.2
109.06496	23.9
109.10127	11.8
110.06831	11.8
110.10497	8.2
110.43409	2.8
111.04427	3.9
111.08052	4.6
112.08411	4.2
117.06989	10.1
118.07330	7.8
119.08551	16.8
120.08899	14.0
121.06539	4.6
121.10137	9.3
122.10438	7.1
123.08083	5.2
124.08408	5.6
125.09624	10.4
126.09940	4.7
129.07004	3.1
131.00110	3.4
131.08482	7.1
132.08911	8.6
133.10095	9.8
134.10460	10.3
135.08073	3.6
135.11696	4.9
136.08391	2.7
136.12015	5.5
138.09940	4.8
145.10132	4.4
146.10460	12.0
147.11647	7.2
148.08365	3.9
148.12004	8.1
149.01187	10.9
149.09595	13.3
149.13298	3.0
150.09926	14.0
150.13591	3.8
151.11142	6.1
152.11531	5.8
153.09012	3.0
154.09338	3.0
158.10490	5.3
159.11682	3.9
160.11984	7.6
161.13202	3.1
162.33206	3.0
163.11137	13.9
164.11482	18.1
165.12827	5.0
166.13129	6.1
167.02257	4.2
174.13589	5.2
178.13184	4.8
189.11127	4.8
206.12617	5.3
212.60849	3.3
223.13347	5.5
224.11792	2.8
224.13503	14.9
230.19772	4.5
240.18205	3.2
248.20918	6.5
252.09314	5.7
258.19366	10.9
276.13348	3.4
276.20361	68.0
293.63293	6.6
294.14066	6.6
294.21420	100.0
295.22382	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
53.92013	0.5
55.01871	0.6
55.05501	0.6
56.05032	1.5
56.96555	0.6
57.03432	0.8
60.04507	1.3
60.74001	0.5
65.03928	2.3
65.77290	0.5
65.91337	0.6
67.05481	2.2
68.05022	5.8
69.03421	3.5
69.07045	1.3
70.06549	0.8
71.70781	0.8
79.05491	1.3
81.07063	2.7
84.04483	2.6
84.08138	0.6
85.02882	0.9
85.98264	0.5
86.06050	1.6
91.05463	1.0
93.07001	1.2
94.07327	0.6
95.04941	1.5
95.08582	1.8
96.04485	7.6
96.08937	0.6
97.02878	30.7
107.04962	0.7
110.06026	0.9
111.04415	3.3
114.04761	1.1
114.05518	13.1
116.90054	0.5
117.43793	0.5
121.02850	100.0
131.04912	0.7
132.05203	0.9
138.05482	29.6
139.03983	0.7
156.06497	4.1
174.07640	1.1
196.16562	0.6
203.05145	0.5
217.04964	1.0
224.01593	0.7
256.25812	0.6
276.20395	1.2
294.09686	27.8
294.21231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05496	0.6
57.07052	0.6
58.02941	0.3
66.04713	0.4
67.05481	1.1
69.07044	0.5
69.77274	0.7
69.77691	1.4
70.07357	0.4
71.08613	0.4
79.03751	0.3
79.05457	1.2
80.05831	0.4
81.07038	2.6
82.07368	0.6
91.05472	1.0
91.91755	0.3
93.07027	0.5
94.04167	2.6
94.07343	0.2
95.04970	0.7
95.08595	0.6
96.05242	0.4
105.07009	0.5
107.04926	0.6
107.08543	0.6
108.08930	0.3
109.06484	1.0
109.10130	0.4
116.71136	0.3
122.03620	6.8
123.11706	1.8
133.10060	0.4
137.05951	100.0
138.06300	1.1
148.75856	0.3
149.09627	0.3
150.10023	0.5
158.15372	1.2
170.15361	1.9
192.64333	0.3
237.02705	0.3
276.20367	1.9
294.21292	1.3
316.49631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.65589	1.1
53.03932	5.6
55.01864	8.6
55.05505	30.8
56.96554	2.4
57.03428	2.6
57.07063	11.7
63.46177	1.3
65.03919	2.1
67.05140	2.9
67.05496	55.2
69.03407	4.0
69.07056	45.7
71.04977	4.2
71.08614	5.0
73.02926	1.3
78.62851	1.3
79.05482	31.6
81.03400	10.4
81.07042	100.0
82.07378	1.5
83.04961	5.4
83.08102	1.8
83.08603	34.0
85.06531	9.4
85.10162	2.1
91.05461	22.9
93.07030	35.6
94.07317	1.3
95.04951	12.9
95.08590	77.3
96.08882	1.4
97.06519	10.0
97.10153	13.0
98.20705	2.5
98.97572	1.5
99.08076	6.9
102.86781	1.2
103.37050	1.2
105.07024	20.5
107.04954	8.9
107.08575	32.5
109.06499	9.3
109.10139	48.1
111.04485	1.5
111.08079	6.3
111.11730	6.3
116.98634	2.3
117.06999	5.6
119.08570	15.4
121.06483	5.0
121.10110	18.2
123.04449	1.6
123.08058	6.1
123.11692	20.3
125.09621	11.2
129.07014	2.1
131.04889	1.4
131.08530	9.5
133.10129	11.6
135.08046	4.7
135.11667	10.8
137.09583	3.9
137.13243	9.2
139.11165	3.7
143.08521	2.3
145.10080	9.8
147.08028	1.7
147.11656	8.0
149.09607	11.5
149.13219	18.7
151.11162	5.8
151.14789	2.8
153.12750	3.1
157.10089	1.8
159.11646	6.0
161.13261	3.5
163.11159	10.1
163.14796	6.6
165.09152	2.6
165.12753	2.2
165.16328	1.5
169.10077	1.5
173.13239	5.8
177.12706	3.0
179.17914	1.5
187.11183	2.2
219.10045	1.3
219.21092	1.7
223.13200	1.7
229.19659	2.3
239.17899	3.5
247.20549	3.6
250.06219	1.8
257.18939	6.7
275.17120	2.8
275.20032	39.7
275.27271	5.0
276.20447	1.6
278.76453	1.4
293.07993	2.0
293.11725	1.7
293.21146	34.1
293.24771	2.8
293.28256	23.6
294.21399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.72595	1.1
53.03941	2.0
55.01853	3.4
55.05501	28.4
57.03428	1.4
57.07067	19.9
57.72984	1.1
65.03922	1.4
67.05496	47.7
69.03421	1.2
69.07059	60.4
69.55236	4.9
69.55665	5.1
71.04949	2.0
71.08627	9.7
79.05489	18.9
81.07044	100.0
83.08607	46.7
83.21157	1.2
85.06517	13.5
85.10165	4.9
87.11106	1.5
91.05473	8.0
93.07033	28.3
95.04942	4.5
95.08592	99.8
97.02891	2.1
97.06517	5.5
97.10156	22.5
98.21464	2.2
99.08089	8.6
105.07022	7.1
107.04922	1.3
107.08579	28.3
109.06499	2.1
109.10143	77.3
111.08064	13.5
111.11700	13.7
113.09615	2.4
119.08566	3.5
119.38514	1.4
121.02036	1.2
121.02875	4.2
121.10139	18.8
123.08049	1.6
123.11691	35.3
125.09624	9.1
125.13316	2.3
131.08533	2.4
133.10101	1.7
135.11682	12.2
137.09604	1.7
137.13239	15.3
139.11154	3.3
139.14825	1.2
147.06027	1.2
147.11691	1.7
149.13245	34.4
151.14751	4.3
153.12730	6.5
155.48201	1.1
159.11697	2.1
163.11223	1.9
163.14780	12.4
165.16360	3.9
167.14282	5.0
175.50838	1.4
177.16344	4.0
179.17947	4.7
191.17867	2.1
193.19472	2.4
212.11494	1.5
219.21083	3.2
249.25818	4.6
275.20032	3.8
275.27307	6.8
293.07990	2.1
293.21182	4.1
293.28348	61.0
294.28665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.283
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03925	2.3
55.01851	3.2
55.05506	30.3
57.03415	2.9
57.06830	1.6
57.07066	16.0
59.04997	1.9
61.02885	1.5
65.03910	1.7
67.05140	2.4
67.05495	47.2
69.03407	3.5
69.06689	3.2
69.07056	52.6
70.06579	2.2
70.64864	4.2
71.04977	2.7
71.08611	11.1
72.08112	1.5
73.06468	1.3
73.63279	1.4
79.05482	20.4
81.03396	4.2
81.07041	100.0
83.04945	2.4
83.08607	31.8
85.02881	4.3
85.06529	13.9
85.10165	2.3
86.35121	1.3
91.05454	13.7
93.07024	37.8
95.04942	5.5
95.08588	88.9
96.08949	1.7
97.06508	7.9
97.10157	19.1
98.98432	1.7
99.08073	13.2
103.05453	1.8
105.07011	10.1
107.04936	2.0
107.08569	27.8
108.08921	1.4
109.02835	1.9
109.06476	2.8
109.09400	2.9
109.10138	50.3
111.08067	8.7
111.11715	9.1
113.09586	1.8
117.06991	2.4
119.08595	7.4
119.36356	1.3
121.02803	1.6
121.06513	1.8
121.10136	19.1
123.08039	1.7
123.11690	31.8
125.02282	1.4
125.09588	6.2
125.13219	3.1
131.04884	1.9
131.08565	7.4
133.10112	5.0
135.08051	1.5
135.11676	14.4
137.09590	1.7
137.13219	15.6
139.11134	2.6
143.08514	1.3
145.10135	3.5
147.11641	5.0
148.33104	1.4
149.09506	2.2
149.13213	19.7
149.14310	2.1
151.11147	2.3
151.14752	5.1
153.12672	2.1
156.13791	5.4
159.11618	4.1
161.13300	2.9
163.11174	2.2
163.14796	8.4
167.14272	3.7
173.13254	1.7
177.12692	2.6
177.16258	2.2
179.17867	2.6
191.17973	2.2
205.19469	3.0
209.19099	1.8
215.87352	1.6
219.20996	2.8
237.22104	1.6
249.25797	2.2
250.06148	2.0
251.06828	1.7
257.18958	1.8
263.37537	1.6
265.08514	2.3
275.20032	10.0
275.27206	7.1
277.21649	1.4
278.09308	1.5
293.08008	6.4
293.11322	3.3
293.21387	10.6
293.25433	2.5
293.28345	44.3
294.08151	1.5
313.96927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03930	2.4
55.05503	8.4
57.07052	2.1
61.07775	1.3
65.03912	2.4
67.05495	93.1
67.98105	1.4
68.05823	1.5
69.07063	11.5
69.53022	8.2
69.53437	3.8
71.08585	1.1
76.65224	1.4
79.05479	11.7
81.07045	100.0
82.07359	1.7
83.08598	5.5
85.06548	1.3
91.05453	6.1
93.07037	11.0
95.08592	77.6
97.10152	2.9
105.07030	4.6
107.08570	7.2
109.10138	50.2
110.10468	1.8
112.80461	1.6
119.08550	3.9
121.10131	8.2
123.11694	34.3
125.09565	1.7
131.08536	5.7
133.10092	3.9
135.08052	1.6
135.11671	8.7
137.09570	1.9
137.13237	12.8
141.68340	1.4
145.10118	2.7
147.11636	3.7
149.13222	3.8
151.11086	1.7
151.14777	4.0
159.11621	3.4
161.13232	3.2
163.11189	3.3
163.14824	2.8
165.12749	1.8
165.16270	2.1
173.13246	4.9
177.12738	2.3
177.16415	2.3
187.14772	5.3
190.23892	1.3
191.14264	2.1
201.37480	1.2
201.43376	1.4
205.15924	1.8
219.20998	1.5
223.16888	1.4
243.21085	5.8
261.22116	10.3
293.24686	33.7
294.24997	2.7
304.62546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.03539	0.8
53.03924	2.0
53.28325	0.8
55.01849	1.4
55.05500	10.5
57.07047	2.4
59.62271	0.9
61.84989	0.9
65.03925	1.8
67.05495	74.9
68.05801	1.2
69.06741	1.0
69.07055	12.5
71.08199	1.3
71.08562	2.8
77.69746	0.8
79.05482	17.2
80.05802	1.0
81.07043	100.0
81.44148	0.9
83.04951	2.5
83.08613	6.2
85.06520	2.7
91.05461	7.3
93.07027	16.6
95.04934	1.9
95.08590	75.3
97.06468	2.1
97.10144	2.6
98.20711	1.0
100.01102	0.9
105.07022	5.5
107.08575	13.6
107.67289	0.8
109.06463	3.1
109.10135	23.4
111.08015	1.9
113.09562	0.9
117.06987	2.2
119.08556	4.3
121.06527	1.0
121.10125	10.0
123.08044	1.7
123.11686	11.4
125.09635	1.2
130.07730	1.1
131.08545	8.0
133.10110	3.6
135.08014	1.9
135.11668	9.8
137.09605	1.5
137.13216	10.4
145.10072	4.1
147.11627	3.4
149.09531	3.1
149.13232	6.4
151.11198	1.1
151.14784	7.3
159.11636	3.8
161.13245	1.9
163.11154	3.4
163.14764	2.7
165.12718	1.0
165.16389	2.8
173.13220	6.0
177.12659	3.5
177.16353	2.5
179.14305	1.9
179.34862	0.9
182.52322	1.1
187.14760	2.4
191.14302	2.9
192.31468	1.1
201.16238	1.5
205.15739	1.6
209.15253	1.9
219.20981	1.5
223.16866	2.3
233.22569	1.8
237.18419	1.5
243.21101	5.3
261.22147	7.4
275.19995	1.8
293.20972	4.1
293.24646	33.3
294.25015	1.3
311.50110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.58121	2.5
53.03916	6.9
55.01868	16.0
55.05503	43.1
57.03423	7.2
57.07048	4.5
65.66367	3.2
67.05493	63.3
69.03424	4.7
69.07056	26.4
70.32120	10.2
71.04977	4.0
71.85185	2.2
79.05485	56.6
81.03400	10.0
81.07043	85.9
83.04955	10.1
83.08608	20.4
85.06514	5.3
91.05465	43.9
93.07036	45.7
95.04967	21.3
95.08590	38.8
96.49789	2.4
97.06520	16.9
97.10156	20.6
105.07035	41.7
107.04926	13.5
107.08581	65.5
107.23554	2.4
109.06481	18.6
109.10144	21.2
111.08071	3.5
117.06995	15.0
119.08553	26.1
121.06490	6.4
121.10103	22.7
123.08067	10.2
123.11691	8.9
125.09621	18.9
131.08553	18.8
133.10100	29.8
135.08028	10.5
135.11688	11.4
137.09598	9.4
145.06421	2.4
145.10104	19.2
147.11646	19.3
149.09612	19.7
149.13269	6.1
151.11172	9.3
156.36093	2.3
157.10159	5.1
159.11678	13.5
161.09581	2.9
161.13254	7.4
163.11153	10.7
165.09065	4.6
169.09993	3.3
171.11592	4.7
173.09602	4.4
173.13225	4.5
177.12808	4.2
189.11218	9.7
191.14186	3.7
207.13693	3.2
215.18024	3.4
229.19432	6.1
239.17990	6.5
247.20584	9.7
257.18961	13.8
270.13663	2.4
275.20016	100.0
276.20380	2.7
293.21124	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2102
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03931	0.9
54.77676	0.3
55.01867	0.8
55.05264	0.5
55.05501	4.6
56.05822	1.3
57.07068	0.8
67.05138	0.4
67.05488	7.1
68.05827	2.0
69.03419	0.4
69.07053	3.4
70.07381	1.0
71.02032	1.1
71.08610	1.2
79.05479	10.6
80.05811	4.6
81.03404	0.9
81.06163	0.7
81.07042	6.5
82.07362	3.9
83.07720	0.6
83.08607	1.7
84.08939	0.6
85.06516	0.5
91.05464	4.3
92.05790	1.9
93.06127	0.6
93.07024	11.1
94.07353	7.7
95.04950	4.4
95.07687	1.4
95.08587	4.1
96.05293	0.4
96.08916	2.3
96.83935	0.3
97.06470	0.3
97.10146	1.1
99.08054	0.9
105.07008	2.7
106.07341	1.4
107.04942	3.3
107.08570	5.6
108.05718	2.1
108.08892	3.8
109.06508	2.1
109.09238	1.4
109.10134	1.2
110.10474	0.9
111.10836	0.5
111.85849	0.3
117.06963	0.8
118.06450	0.3
118.07323	0.4
119.07841	0.3
119.08527	1.8
120.08879	1.2
121.06472	8.1
121.10117	4.0
122.10455	3.6
123.08025	0.6
123.10791	1.4
123.11639	0.4
131.08563	0.8
132.08891	0.5
133.10104	1.3
134.10442	1.1
135.08017	1.0
135.10748	0.6
135.11664	3.8
136.11989	4.7
137.12346	1.8
145.10089	0.7
146.10350	0.5
147.11694	0.7
148.11992	0.8
149.09543	0.4
149.13298	1.7
150.13577	2.8
151.11171	1.5
151.13878	1.6
159.11653	0.4
162.13603	0.5
164.11902	1.0
164.15067	0.8
165.12723	1.1
165.15434	0.7
171.11530	0.5
172.12080	0.3
177.12737	1.5
177.15343	0.4
196.18494	0.4
220.32143	0.4
222.87341	0.3
223.13379	0.4
233.18259	0.5
237.14789	0.8
243.20074	0.8
261.21252	1.3
275.19980	0.7
275.82181	0.4
293.21027	100.0
293.23758	8.1
294.21335	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	293.2104
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03932	0.4
55.01845	0.7
55.05503	3.0
56.18828	0.2
57.07059	0.2
58.72004	0.2
61.60128	0.2
64.05128	0.2
67.03476	0.2
67.05493	2.8
69.03419	0.2
69.07065	1.6
69.98991	0.5
69.99408	0.6
71.08612	1.2
79.05475	3.0
81.03402	0.7
81.07038	3.5
83.04958	0.6
83.08601	1.3
84.93102	0.2
85.06532	0.3
91.05455	2.1
93.07017	1.9
95.04958	3.4
95.08582	1.5
97.06553	0.3
97.10139	0.8
98.20724	0.2
99.08056	1.0
105.06993	1.3
107.04929	3.2
107.08562	0.9
107.56100	0.2
108.05719	2.2
109.06506	1.7
109.10114	0.5
116.22256	0.2
117.06991	0.5
119.08575	0.6
119.71920	0.2
121.06480	8.9
121.10117	0.7
122.07298	0.3
123.08045	0.5
125.09597	0.5
131.08517	0.8
133.10066	0.4
135.08020	0.8
135.11649	0.3
145.10089	0.4
147.11668	0.3
149.09583	0.5
151.11139	1.7
163.11147	0.4
164.11938	1.3
165.12723	1.2
173.13168	0.3
176.30481	0.2
177.12665	1.8
191.14291	0.3
223.13289	0.5
237.14830	1.1
275.20001	1.5
283.67029	0.2
293.21048	100.0
294.21381	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03937	8.2
55.01869	14.8
55.05507	18.3
57.03411	2.9
57.28679	1.8
67.05492	42.6
69.07059	23.8
70.65270	6.1
71.04988	3.1
73.78247	1.9
79.05479	44.9
81.03403	8.1
81.07043	100.0
83.04974	6.3
83.08591	11.0
86.76737	2.0
91.05467	30.3
92.11359	2.0
93.06498	3.5
93.07033	29.9
95.04951	20.4
95.08593	24.8
97.06517	16.8
99.08075	3.2
105.07006	29.5
107.04933	12.0
107.08556	17.1
109.06501	39.6
109.07207	3.2
109.10160	9.2
111.08052	5.5
117.07000	8.2
119.08575	19.0
121.06488	3.4
121.10132	12.4
123.08057	13.1
123.11640	3.2
125.09583	3.7
129.07001	5.0
131.08545	11.8
133.10110	17.3
135.08055	4.9
135.11685	6.6
137.09639	7.2
143.08562	3.3
145.10072	13.4
147.11671	19.2
149.09616	12.1
149.13258	5.1
151.11201	4.7
155.08589	2.5
157.10155	2.9
159.11708	9.1
161.13245	4.0
163.11153	11.4
165.12735	5.5
171.11612	3.0
173.09538	4.6
173.13258	5.1
175.11221	4.3
177.12709	4.1
179.14293	3.1
181.12071	2.0
185.13228	2.5
193.12119	2.5
229.19456	3.2
239.17896	4.0
257.19009	5.7
275.20007	54.1
293.21075	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	7.7
53.18896	1.7
55.01869	15.6
55.05499	23.4
57.03410	2.5
57.07060	3.0
67.05492	36.6
68.13187	1.9
68.19217	2.1
69.07062	15.7
69.41125	11.2
69.41555	10.9
71.04987	3.2
79.05483	42.4
81.03391	10.4
81.07041	100.0
83.04980	6.0
83.08611	19.7
85.49530	2.0
90.26424	1.9
91.05470	26.4
93.07034	24.1
95.04968	21.2
95.08591	19.0
97.06521	25.4
97.10174	2.8
105.07007	25.7
107.04922	13.6
107.08562	14.9
109.06498	37.3
109.10150	8.2
111.08057	8.5
117.07008	7.4
119.08559	22.0
121.06470	6.7
121.10139	12.3
123.08064	8.1
129.06966	2.8
131.08551	10.5
133.10092	17.2
135.08055	4.6
135.11682	7.2
137.09596	4.6
145.10114	14.3
147.08012	2.9
147.11650	13.9
149.09602	11.5
149.13234	7.0
151.11154	4.9
157.10149	3.2
159.11732	4.2
161.13219	4.9
162.46904	1.9
163.11159	9.5
163.15060	3.0
165.12770	4.6
173.09566	4.4
173.13295	4.5
177.12744	3.2
179.14252	2.7
187.11046	2.3
191.14359	3.2
193.12245	3.6
229.19586	4.0
239.17993	2.6
247.20576	9.6
257.19019	9.4
275.20041	73.8
275.23059	4.8
285.01984	2.0
293.21078	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	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03936	31.2
55.01862	30.1
55.05496	22.4
62.45288	5.7
62.74603	7.8
67.05499	76.7
69.07056	47.3
69.59100	53.4
71.10011	5.7
71.47854	5.9
79.05484	64.8
81.03411	61.3
81.07043	100.0
83.04979	8.8
83.08619	17.2
91.05477	67.6
93.07037	50.8
95.01327	9.0
95.04965	33.9
95.08594	53.6
97.06522	44.2
105.07020	90.5
107.04947	30.1
107.08595	29.7
109.06507	10.8
109.10146	10.3
111.08046	6.4
115.90506	6.4
117.06981	21.3
119.08597	36.6
121.06485	6.8
123.08033	17.2
131.08543	27.6
133.10120	45.4
135.11647	13.3
145.06485	7.3
145.10118	27.4
147.11682	29.2
149.09610	10.6
159.11693	24.3
161.13275	9.2
177.12770	8.2
179.14345	22.7
187.11148	10.7
205.12125	7.5
226.03979	6.5
275.20044	90.3
293.21072	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	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	3.4
55.01870	10.2
55.05238	3.5
55.05502	58.7
57.03415	4.7
57.39066	1.5
59.04975	2.6
65.03924	2.3
67.05499	30.0
69.03412	3.1
69.07054	15.7
69.96568	4.5
69.96999	5.3
71.04976	4.6
79.05480	45.3
81.03397	8.3
81.07040	34.1
83.04967	7.1
83.08604	34.5
84.98663	1.5
85.06530	2.1
91.05470	25.2
91.06020	1.9
93.07030	36.5
93.36199	1.5
95.04951	87.2
95.08591	19.3
97.06510	4.8
97.10155	29.8
98.20744	1.9
105.07022	25.7
107.04929	13.9
107.08578	40.4
109.06498	16.7
109.10128	13.6
111.04417	3.1
111.08042	4.9
117.06991	8.9
119.08551	19.8
121.06450	5.4
121.10124	19.2
123.08060	6.0
123.11659	4.2
125.09605	27.2
129.06996	3.2
131.08540	15.0
133.10109	12.6
135.08032	8.3
135.11697	9.3
137.09555	1.9
143.08534	2.9
145.10115	18.6
147.08037	6.0
147.11659	12.3
149.09598	70.2
151.11116	1.6
153.09029	3.7
157.10062	1.8
159.11658	10.6
161.09654	3.1
161.13246	3.4
163.11159	24.9
165.12675	2.2
169.10168	1.9
171.11635	3.5
173.11800	1.8
173.13248	2.5
174.84563	1.5
175.11179	3.5
177.12711	5.4
183.11652	3.0
187.11168	4.3
189.11214	16.3
197.13333	2.1
205.12224	5.0
219.17351	7.0
223.13237	32.8
223.15306	2.1
229.19479	2.0
239.17958	5.9
247.20523	4.7
253.03018	1.8
257.18970	10.6
275.20016	98.9
293.21066	100.0
294.21222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03918	1.7
53.50357	1.6
55.01855	6.6
55.05505	13.5
57.07066	2.2
67.05497	30.6
69.03410	2.0
69.06734	2.2
69.07063	22.6
69.89455	7.2
69.89864	3.9
71.04972	2.8
79.05482	18.6
81.03397	1.9
81.07043	39.4
82.70463	1.5
83.04955	8.4
83.08604	6.9
91.05464	20.8
93.07030	29.7
95.04948	9.7
95.08587	19.7
97.06483	4.5
97.10141	3.4
105.07012	26.3
107.04932	6.8
107.08586	16.0
109.06504	10.3
109.10139	8.0
111.08053	2.4
117.06985	7.8
119.08560	12.6
121.06509	9.4
121.10152	10.6
123.08070	5.0
123.11638	3.8
125.09591	2.6
129.06999	3.3
131.08545	17.3
133.06482	3.0
133.10117	19.9
135.08000	3.4
135.11670	5.2
137.09547	3.4
143.08553	1.6
145.06560	2.0
145.10063	13.6
147.08000	3.4
147.11671	11.6
149.09592	4.0
149.13261	2.7
151.11133	7.4
157.10133	3.6
159.11646	7.7
161.13249	2.0
163.11168	5.0
171.11676	2.1
173.09613	3.0
173.13263	7.0
175.11115	1.9
183.11705	1.5
187.11101	3.0
191.14258	3.4
207.13699	3.7
219.13829	6.0
239.17889	2.7
247.20598	3.6
257.18921	15.5
270.33627	1.6
275.20029	100.0
276.20477	2.9
293.21008	25.0
299.59039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	6.9
55.01867	8.8
55.05238	1.1
55.05502	20.3
57.03418	2.3
57.07051	1.2
62.77273	1.0
65.03930	1.9
67.05495	37.5
69.03412	1.5
69.07056	18.3
71.04974	3.1
71.30485	2.0
71.30830	1.3
75.99908	0.9
79.05482	39.1
79.23964	0.8
80.05816	1.1
81.03417	9.3
81.07043	100.0
82.07365	1.7
83.04975	5.8
83.08606	14.7
85.06549	2.5
91.04922	1.6
91.05470	24.2
93.07030	24.4
95.04953	21.6
95.07999	1.7
95.08585	19.8
97.06522	10.1
97.10149	3.5
99.08067	1.7
105.07009	26.8
107.04941	11.0
107.08579	15.1
109.06500	41.1
109.10159	8.6
111.08071	4.3
117.07001	8.1
119.08564	19.8
121.06463	4.9
121.10119	12.7
123.08044	10.2
123.11668	4.1
125.09607	2.7
129.06978	3.3
131.08537	11.4
133.06470	1.8
133.10114	17.6
135.08031	4.3
135.11703	6.4
137.09543	4.4
139.11121	1.0
143.08502	1.4
145.06461	1.7
145.10101	9.4
147.07982	1.1
147.11655	16.5
149.09592	10.0
149.13234	4.9
151.11179	4.7
155.08551	2.2
157.10114	2.8
158.52481	1.1
159.11676	7.0
161.09612	1.5
161.13234	3.8
163.11156	9.8
163.14842	1.8
165.08928	1.1
165.12717	4.0
169.10040	1.1
171.11678	2.2
173.09581	3.2
173.13243	4.8
175.11125	3.4
175.14737	1.5
177.12758	2.8
187.11163	2.0
193.12253	3.2
197.13248	1.1
201.12737	2.1
201.16347	1.1
207.13800	1.5
219.13756	2.1
219.17322	1.4
229.19447	3.0
237.14850	1.0
239.17932	2.5
247.20551	4.7
257.18973	7.0
275.20023	52.0
276.20349	2.1
293.21048	31.2
294.21451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	5.9
55.01862	9.0
55.05505	23.6
57.03412	5.9
57.07066	13.0
58.73239	1.6
65.03919	4.1
67.05143	3.0
67.05499	55.6
69.03409	2.1
69.06686	2.5
69.07056	41.4
69.96470	11.2
70.07820	2.1
71.04968	5.9
71.51960	1.6
76.01384	1.6
79.05483	43.9
80.84966	1.6
81.03391	5.7
81.07045	100.0
83.04964	7.5
83.08596	10.7
85.06543	3.5
91.05469	40.0
93.06439	2.1
93.07029	36.3
95.04959	21.5
95.08591	30.8
97.06506	5.2
97.10130	1.9
105.07015	40.5
107.04945	8.7
107.07915	2.4
107.08584	26.8
107.60868	1.8
109.06496	26.9
109.10134	23.2
111.08066	6.4
115.07555	6.5
115.36018	1.7
117.06996	10.1
119.08560	42.2
120.08818	2.1
121.06448	8.6
121.10140	13.7
123.08041	11.3
123.11703	4.3
125.09588	4.2
129.00993	3.3
129.07005	2.9
131.08562	15.6
133.10114	34.3
135.07985	10.4
135.11664	9.3
137.09595	14.2
141.00951	4.2
143.08536	3.8
145.10114	15.0
147.08107	2.0
147.11664	16.5
149.09633	11.3
149.13251	4.0
151.11188	11.1
154.28084	1.8
154.80002	1.8
155.08557	1.8
159.11699	9.4
161.09642	2.2
161.13242	3.9
163.11180	6.1
165.12732	4.6
169.10052	3.8
171.11687	2.6
173.13222	5.3
175.11137	3.1
177.12772	4.7
180.87520	1.6
187.11224	1.9
187.14783	2.1
193.12207	2.4
197.07248	18.3
201.12756	2.9
218.04330	1.8
223.13078	2.2
229.19339	2.6
239.17982	3.3
247.20502	7.4
257.18991	8.9
275.20023	64.4
293.21054	79.2
294.09961	6.2
294.21536	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	6.8
55.01860	8.8
55.05509	23.1
57.03429	2.4
59.04984	2.2
65.03947	1.9
67.05495	51.6
67.19988	1.7
69.03423	3.4
69.07054	23.0
69.96324	3.9
69.96741	8.8
71.04993	4.2
73.06065	1.9
79.05483	51.0
81.03407	7.7
81.07044	100.0
83.04954	6.3
83.08603	17.0
83.91069	2.0
85.06529	2.8
91.05467	33.0
93.07024	31.4
95.04481	2.0
95.04972	20.3
95.08588	30.4
97.06519	8.6
97.10163	5.5
99.04489	2.1
103.05488	2.1
105.07011	40.9
107.04945	10.0
107.08588	26.1
109.06503	26.1
109.10140	15.5
111.08070	7.2
117.06992	11.0
119.08568	34.7
121.06486	9.0
121.10145	12.9
123.08073	12.0
123.11686	7.7
125.09598	4.9
129.07024	4.6
131.08548	14.0
133.10126	21.5
133.13219	2.0
135.08043	7.6
135.11670	7.9
137.09584	8.1
143.08521	3.4
145.10150	10.4
147.07999	2.1
147.11664	18.9
149.09618	12.9
149.13261	6.0
151.11139	4.5
155.08502	3.3
159.11671	9.1
161.09604	3.0
161.13142	4.0
163.11147	13.0
165.12784	3.6
171.11719	3.0
173.13258	4.2
175.11174	5.7
177.12701	3.7
187.14830	2.7
207.13725	2.1
219.13779	2.5
221.19080	2.3
229.19530	5.0
239.17943	6.7
247.20566	8.4
257.18994	9.2
260.81931	2.1
267.74951	2.3
275.20032	81.3
293.21024	37.9
296.40140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.61481	1.7
53.03927	4.2
55.01865	18.1
55.05500	32.5
57.07048	2.8
61.31665	2.0
67.05492	33.9
69.03409	1.6
69.07058	19.1
70.36302	9.0
77.03849	2.0
79.05479	52.4
81.03404	7.1
81.07049	33.8
83.04977	5.9
83.08613	13.8
85.06528	2.4
91.05467	28.8
93.07027	32.5
95.04951	10.0
95.08582	23.0
97.06518	19.9
97.10154	16.1
105.07007	34.2
107.04945	11.6
107.08574	74.3
108.08862	3.0
109.06496	7.7
109.10145	8.9
111.08057	3.7
117.06973	10.9
118.94740	2.2
119.08583	13.9
121.06488	3.6
121.10123	9.5
123.08102	4.0
123.11662	4.0
125.09605	17.7
131.08521	12.4
133.10089	19.7
135.08041	6.7
135.11626	9.6
137.05927	13.2
143.08569	2.3
145.06467	3.5
145.10103	14.6
147.11713	11.4
149.09592	19.4
151.11176	8.7
159.11674	8.4
161.13179	4.1
162.32893	2.3
163.11160	5.3
165.09094	7.7
169.10118	3.0
171.11613	4.0
173.13164	4.2
175.11192	2.2
177.12756	3.4
189.11235	12.4
192.64999	1.8
215.17920	2.5
229.19492	4.4
231.54797	2.3
239.17923	5.2
247.20511	6.7
257.18997	10.3
275.20013	100.0
276.20471	2.8
293.21066	18.8
313.69620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.75882	1.7
53.03938	3.9
55.01845	9.0
55.02084	1.9
55.05505	72.0
56.28782	1.9
57.03435	3.7
57.07049	4.5
65.03918	2.5
67.05495	42.4
69.03410	4.3
69.07073	12.3
69.55411	13.3
69.55838	5.9
71.04972	3.8
79.05025	3.3
79.05481	52.1
81.03384	6.5
81.07047	41.8
83.04960	8.7
83.08608	35.4
85.06546	2.4
91.05464	23.0
93.07037	35.2
95.04957	100.0
95.08581	19.8
97.06487	5.1
97.10152	34.1
105.07010	25.4
107.04939	13.9
107.08574	47.6
109.06495	9.3
109.10132	15.0
111.04376	2.6
111.08087	6.8
117.06989	9.3
119.08552	21.7
121.06462	6.2
121.10120	16.7
123.08028	7.5
123.11697	4.1
125.09624	33.5
129.06982	2.6
131.08563	16.3
133.10115	14.9
135.08035	9.1
135.11679	8.2
135.15076	2.2
145.10101	20.3
147.08011	5.1
147.11632	5.9
149.09599	72.1
151.11172	2.9
155.10709	2.1
156.58958	2.2
159.11719	12.7
161.09613	3.4
161.13222	5.8
163.11139	26.8
165.12733	2.8
165.40732	2.4
169.10152	3.0
171.10152	2.4
177.12779	3.9
187.11134	2.8
189.11209	19.8
191.10480	3.6
193.12302	2.6
197.13240	3.0
205.12222	4.7
209.11685	2.8
211.13301	2.3
223.13278	35.4
237.11185	5.0
239.18016	3.1
247.20538	4.7
257.19012	10.0
275.20029	90.2
276.20248	3.6
293.21063	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	4.6
55.01867	16.2
55.05503	26.6
57.03424	15.3
57.07065	2.8
67.05496	34.6
69.07067	17.0
69.07361	3.3
69.43628	9.5
69.44044	19.0
71.04974	3.8
79.05482	46.7
81.03385	4.1
81.06613	4.0
81.07048	47.3
83.04954	4.1
83.08601	11.6
85.06501	4.7
85.26712	2.8
87.15665	2.7
90.25664	2.6
91.05465	36.5
93.06492	4.6
93.07029	44.2
95.03604	2.7
95.04945	9.4
95.08609	27.2
97.06496	17.5
97.10149	11.8
100.85701	2.7
103.82658	2.7
105.07008	38.8
107.04923	6.3
107.08578	50.0
109.06493	27.7
109.10115	10.2
111.08093	3.4
117.07005	14.0
119.08571	35.0
121.10117	14.1
123.08048	7.3
125.09595	7.5
127.02045	2.9
129.06990	5.4
131.08519	10.1
133.10097	25.8
135.08017	7.4
135.11656	10.9
141.09058	2.9
143.08574	6.7
145.10081	13.2
147.11668	18.6
147.12723	2.5
149.09613	15.8
151.11096	6.8
157.10074	5.1
159.11691	16.5
161.13266	7.0
163.11160	12.6
169.10040	4.4
171.11722	4.5
172.42610	3.0
173.13208	8.9
175.11099	3.9
180.50668	2.8
183.11658	4.5
185.13240	13.1
201.16394	5.4
203.14267	8.4
219.17409	33.9
221.15327	6.8
229.19524	6.8
239.17908	8.2
247.20422	4.5
257.18973	21.2
275.20032	100.0
276.20529	5.7
293.21036	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.70678	1.4
53.03934	4.3
55.01860	9.8
55.05499	31.1
56.96549	2.4
57.03413	5.2
57.07055	3.2
61.02914	2.1
65.03929	2.8
67.05492	38.4
69.03395	2.7
69.07052	22.9
69.46020	4.7
69.46441	9.3
71.04971	4.6
71.08601	3.6
75.35075	1.3
79.05476	40.5
80.05804	1.5
81.03400	10.1
81.07040	65.2
82.07317	1.4
83.04966	5.9
83.08609	16.5
85.06509	3.3
91.05466	28.6
93.07030	25.5
95.04953	27.4
95.08589	23.8
97.02866	1.5
97.06489	7.5
97.10146	11.0
99.08062	4.4
105.07013	29.0
107.04929	11.8
107.08574	41.7
109.06495	23.3
109.10133	11.0
111.08059	5.5
115.05419	1.9
117.07008	8.8
119.08578	16.2
121.06509	11.1
121.10130	16.2
122.17347	1.5
123.08043	6.9
123.11690	4.1
125.09625	9.9
129.07019	2.3
131.08551	12.8
133.10100	19.2
135.08018	4.1
135.11710	8.8
137.09595	4.8
143.08562	3.3
143.98662	1.6
145.06464	1.5
145.10095	14.1
147.08012	2.5
147.11684	13.6
149.01196	2.8
149.09598	17.3
149.13232	4.0
151.11171	6.9
157.10100	4.0
159.11664	8.6
159.59099	1.7
161.13239	4.0
163.11180	8.9
165.09096	2.1
165.12756	4.0
173.09657	2.7
173.13219	6.6
175.11156	2.9
177.12715	4.5
179.10712	1.8
183.11737	1.9
185.13184	1.7
187.11134	2.4
187.14764	1.8
189.11174	8.0
191.14320	1.5
193.12273	1.6
197.13188	2.0
203.14345	2.2
205.15802	1.5
211.62628	4.1
212.12444	2.7
215.14241	3.5
219.17439	3.8
221.11087	1.8
221.15210	2.2
223.13237	5.1
229.19556	2.0
233.15262	2.5
237.14702	2.6
239.17996	3.1
247.20540	4.7
249.39920	1.5
257.19022	8.9
275.20007	61.1
276.20248	1.7
293.13461	3.0
293.21063	100.0
294.21280	3.3
297.15656	1.4
303.43869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98295	9.6
69.52677	63.3
82.32341	8.1
98.21067	44.2
105.59901	9.1
121.48495	8.3
169.58289	9.0
222.56676	8.4
293.06284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.4
55.05489	8.5
57.03419	11.9
67.05183	3.7
67.05495	33.9
69.03413	11.3
69.07068	8.4
69.78542	2.9
70.06578	10.0
71.01347	3.6
71.04985	32.0
71.69713	4.7
75.04465	12.5
79.05470	11.5
81.03419	6.6
81.07043	33.3
83.04972	33.0
84.04429	2.8
84.08150	3.3
85.02896	100.0
86.09682	6.9
91.05463	15.6
93.07014	9.8
95.04955	8.0
95.08582	24.4
96.04469	3.2
97.02875	12.7
97.06506	14.2
98.97643	3.4
98.98417	4.2
99.04413	4.9
105.03403	4.1
107.04924	3.3
107.08559	7.1
109.02876	4.4
109.10130	10.4
110.07224	3.3
111.04438	22.6
114.05464	4.2
115.18509	3.8
119.08534	4.5
120.08092	4.1
121.02866	15.4
121.06507	3.7
121.10111	3.8
123.04430	6.0
123.11694	5.8
127.03893	5.7
129.05450	27.7
131.04919	3.9
133.10123	5.7
135.11676	3.7
138.05452	6.9
139.03947	3.3
145.10155	3.6
147.06496	11.6
147.11670	4.9
147.92125	3.3
148.07628	3.5
153.05455	15.3
171.06514	7.8
201.07481	4.7
239.09116	5.5
239.58716	3.2
248.12560	3.7
261.08905	4.8
293.11887	9.9
293.21262	5.6
293.24548	4.5
294.09799	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	293.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54350	3.7
56.96555	97.4
57.03415	6.9
61.02914	4.0
67.05477	4.9
67.51664	3.9
69.03407	11.3
69.75776	26.9
70.06566	6.7
70.98101	31.7
72.08137	9.0
73.02904	5.9
73.99754	3.5
74.97575	3.9
81.03412	3.8
81.07085	3.6
84.08121	6.7
84.96035	6.3
85.02888	16.3
88.99142	13.0
95.08565	4.7
97.02869	9.5
98.20854	9.9
98.21428	7.5
98.97568	47.7
101.00790	4.0
105.24630	3.7
107.00207	4.2
109.02859	5.2
110.97546	7.6
111.02155	4.2
116.98602	40.8
117.76835	3.5
119.01867	14.9
128.98599	15.0
134.99640	16.8
135.03114	6.2
145.03444	6.3
146.99625	25.3
147.11555	3.5
154.96509	4.6
156.01846	5.5
158.99623	8.4
161.01151	8.1
161.02933	9.4
161.07042	7.5
163.02785	4.6
165.00665	7.9
172.97557	32.4
173.02896	4.8
174.04434	4.4
177.00722	14.7
184.04845	10.2
189.00682	7.8
190.98598	100.0
191.02260	7.7
191.03905	6.3
201.00682	6.0
203.04114	5.3
205.00143	10.3
207.01685	5.7
208.99673	33.3
214.98595	4.7
215.03725	4.5
217.01772	4.1
218.98097	25.0
219.01680	7.7
223.01198	9.3
232.99619	65.2
236.99124	13.4
237.02776	6.2
247.01129	4.4
251.00732	37.0
251.04362	11.9
255.04121	3.9
269.01639	4.5
269.05295	8.9
274.97559	3.9
284.06503	7.3
293.05475	19.1
299.39026	4.4
311.06473	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	292.1538
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01848	0.8
58.64584	0.2
69.46603	2.5
70.06561	0.3
71.01322	0.4
73.02894	1.1
77.86248	0.2
78.42734	0.2
81.07044	0.5
81.64096	0.3
81.95351	0.2
84.08097	0.3
91.05465	0.5
95.04888	0.3
99.00794	0.9
106.06547	0.4
110.55482	0.3
117.05711	0.4
118.06518	8.3
119.07269	0.3
130.06534	0.4
131.07300	0.4
132.08066	2.9
133.08844	0.4
134.09618	0.6
137.05946	0.5
144.08072	2.5
146.09612	2.1
158.09653	0.9
160.11159	0.9
161.04469	0.4
162.09096	1.4
172.11197	0.8
174.12746	0.2
176.14308	12.4
177.14682	0.4
188.07053	2.2
190.08609	8.9
202.08662	1.3
202.15868	11.2
203.08452	0.2
203.16212	0.3
204.10234	3.5
205.10951	0.4
216.10265	0.7
218.11746	2.2
220.08441	0.3
230.15335	2.1
232.08398	0.5
232.13368	0.3
234.07574	4.8
237.22400	0.3
246.14862	13.1
247.15189	0.4
248.09210	3.4
248.16408	7.0
249.09776	1.1
260.08081	0.5
261.08835	0.3
262.10712	2.5
274.14389	2.8
277.08392	1.2
292.15408	100.0
292.18970	8.9
293.15732	3.3
296.33838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2312
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03927	3.9
55.01859	1.8
55.05509	16.5
65.03903	1.4
66.87677	1.5
67.05494	36.8
69.07049	16.1
73.06527	1.8
73.34029	1.6
79.05482	67.8
81.07047	45.4
83.04963	1.5
83.08614	8.6
85.06490	3.0
87.08081	1.4
87.81081	1.7
88.43027	1.4
91.05470	24.7
93.07028	100.0
95.04939	5.6
95.08590	32.6
97.06503	2.9
97.10143	4.1
98.66222	1.7
105.04456	1.9
105.07014	15.5
107.08573	57.8
109.10121	14.6
117.07003	4.5
119.08547	18.0
121.10125	46.8
123.08012	2.3
123.11704	2.2
128.81052	1.6
130.70702	1.6
131.08527	7.1
133.10104	15.2
135.07962	1.9
135.11670	62.2
143.08488	1.7
145.10083	6.5
147.11655	12.0
149.09595	3.1
149.13229	37.9
157.10025	2.1
159.11613	4.3
161.13229	5.8
163.11142	4.8
163.14766	10.2
171.11665	6.0
173.13300	2.3
175.14815	4.5
177.12729	3.5
177.16359	1.7
185.13191	3.6
188.01144	1.6
189.12726	2.2
209.15349	2.0
213.16298	2.3
217.19669	3.5
231.94063	1.6
241.19485	4.2
259.20523	10.0
291.19785	3.8
291.23114	70.6
298.67197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60307	1.5
55.05505	14.4
57.07074	13.4
60.46406	1.5
67.05496	32.6
69.07060	23.4
69.94989	3.4
69.95398	8.9
71.08628	7.7
79.05489	11.4
81.07047	100.0
83.08617	16.9
85.10141	4.1
91.05461	1.9
93.07034	9.0
95.08597	83.3
96.08932	1.6
97.10156	10.3
107.08606	3.9
109.10144	32.8
111.11698	7.0
120.14101	1.6
121.10107	2.5
123.11696	14.6
125.13221	2.0
135.11696	2.8
137.13231	2.7
151.14757	2.7
163.14877	1.8
165.16368	1.8
175.64050	1.4
185.29646	1.5
185.71719	1.6
291.23535	2.3
291.30524	9.0
292.30017	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	291.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.9
55.05282	1.3
55.05506	18.6
57.07045	2.4
65.03944	1.7
67.05496	38.9
69.06724	2.1
69.07050	16.5
79.05482	75.7
81.07044	48.9
83.08592	9.5
85.06532	3.6
88.85854	1.5
91.04920	2.7
91.05463	34.1
91.06030	1.8
93.07031	100.0
95.04938	6.4
95.08587	32.2
97.06494	3.0
97.10125	2.2
99.08093	2.2
105.07012	19.4
107.08577	60.8
109.06478	4.1
109.10123	12.3
111.08102	2.1
117.06986	3.1
119.08560	15.7
121.10117	42.5
123.08086	2.2
123.11664	4.2
125.09617	1.7
129.06953	4.0
131.08559	7.3
133.09314	1.3
133.10127	13.4
135.08005	2.9
135.11667	48.8
137.09592	2.5
143.08492	2.7
145.10143	7.5
147.11638	11.2
149.09584	3.3
149.13240	33.8
157.10130	3.5
159.11673	4.8
161.09685	1.6
161.13225	9.6
163.11140	2.0
163.14801	12.6
171.11673	3.4
173.13271	2.3
175.11044	1.9
175.14790	6.5
177.12729	2.1
181.57181	1.5
185.13339	3.4
189.12662	2.2
190.63515	1.4
193.15897	1.8
199.14812	2.8
213.16400	2.1
217.15945	1.9
217.19456	2.1
221.15343	2.7
231.17491	1.9
235.16997	2.5
241.19478	5.5
249.18307	2.6
259.20557	9.2
280.93848	1.4
291.19635	7.8
291.23111	49.0
308.72150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2312
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.29505	2.5
53.03922	4.3
55.05497	22.2
57.07075	1.9
59.04994	2.1
60.40723	2.5
64.02346	2.4
67.05491	39.8
69.07055	18.6
71.20322	5.2
79.05479	69.8
81.07042	59.5
81.07391	1.3
83.08605	12.2
85.06541	3.5
91.05468	37.0
93.07024	100.0
95.04955	6.4
95.08591	41.9
97.06503	4.4
97.10153	4.0
105.06998	22.7
107.08578	68.8
109.06439	2.5
109.10124	18.2
117.06994	4.3
119.08540	17.2
121.10120	55.9
123.11682	5.9
125.09625	2.0
129.06984	3.2
131.08542	9.0
133.10097	16.5
135.08090	2.3
135.11662	54.5
137.13101	2.4
139.23210	2.2
145.10074	8.2
147.11618	15.4
149.13211	39.9
157.10037	3.7
159.11681	7.0
161.13258	9.8
163.11145	4.7
163.14810	16.2
171.11697	4.9
173.13187	2.6
175.14828	7.2
177.12683	3.3
177.16437	2.4
185.13196	3.4
189.12761	3.9
199.14752	4.2
200.00742	2.3
207.13963	2.6
209.15329	4.0
213.16367	3.4
217.19420	4.0
221.15237	4.5
231.20976	4.5
235.17041	3.5
241.19504	5.4
249.18655	3.5
259.20496	10.9
291.19598	8.3
291.23102	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2311
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.63732	1.6
53.03928	5.1
54.34904	1.5
55.05499	18.8
57.07048	3.6
65.03919	1.6
67.05139	2.0
67.05492	39.1
67.57655	1.3
69.07059	16.6
70.35081	4.6
70.35495	3.3
73.06529	1.9
79.05481	68.1
81.07043	54.0
83.04929	1.6
83.08597	8.9
85.06523	3.6
91.04916	2.7
91.05457	31.0
93.07027	100.0
94.07370	2.3
94.15395	1.4
95.04929	7.3
95.08012	2.1
95.08586	34.8
97.06496	2.2
97.10134	6.2
105.07005	21.5
107.08576	59.0
109.06477	5.7
109.10152	14.3
117.07006	2.7
119.08569	14.8
121.10123	49.8
123.08051	3.7
123.11684	3.7
129.06984	3.2
131.08533	7.0
133.10124	15.4
135.08008	4.3
135.11670	57.5
136.11963	2.5
137.09555	3.0
143.08578	2.2
145.10075	4.2
147.11678	12.5
149.09598	4.4
149.12094	2.8
149.13220	35.0
157.10069	4.0
159.11647	7.2
161.13216	8.9
163.11150	2.9
163.14801	11.9
171.11668	4.6
173.13194	4.7
175.11154	1.6
175.14786	5.6
177.12679	2.9
177.16510	2.0
185.13214	3.6
189.12627	2.8
191.14247	1.8
192.67719	1.8
199.14780	2.3
203.14223	2.2
213.16373	2.1
227.90016	1.7
231.17418	2.0
235.16780	3.5
241.19420	4.3
249.18468	2.8
259.20587	7.3
291.19623	7.4
291.23117	57.8
292.23425	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03917	0.6
55.01861	1.9
55.05505	8.1
57.03425	0.5
57.07050	0.3
57.77332	0.1
59.04974	0.5
65.03918	0.4
67.05147	0.3
67.05496	4.4
69.03422	1.1
69.06692	0.2
69.07056	2.8
69.72712	1.2
71.04974	0.9
79.05481	6.7
80.05779	0.2
80.06246	0.2
81.03413	0.7
81.07045	5.8
83.04961	1.0
83.08610	3.3
85.06509	0.3
91.05466	6.7
92.06280	0.2
93.07034	5.8
94.04156	0.3
94.34483	0.2
95.04955	2.8
95.08589	2.7
97.06496	0.4
97.09568	0.2
97.10152	3.1
101.09592	0.3
103.05441	0.4
105.03388	0.3
105.04482	0.3
105.07015	5.9
107.04938	2.5
107.08575	3.0
108.05712	0.5
109.06484	1.0
109.10146	1.0
110.07202	0.1
111.08057	0.4
112.99360	0.1
115.05441	0.9
116.06196	0.3
117.07000	2.6
119.04927	1.7
119.08565	4.3
120.05696	0.4
121.06491	1.6
121.10120	1.2
123.08052	1.3
123.11675	0.1
125.09634	1.4
128.06197	0.3
129.06985	1.6
130.07738	0.6
131.08539	2.6
132.05580	0.2
133.05536	0.2
133.06479	3.5
133.10083	1.2
134.07283	1.0
135.08025	1.0
135.11667	0.6
137.09616	0.4
142.07724	0.4
143.08577	1.4
145.06479	0.5
145.10091	2.2
147.08029	3.4
147.11652	0.4
149.09610	1.1
157.10117	0.7
159.08026	0.3
159.11627	0.4
161.09575	0.9
161.13223	0.2
162.10347	1.7
163.11139	0.8
165.09091	0.4
171.11639	0.5
175.11182	0.8
185.13292	0.3
189.11243	0.2
189.12796	0.2
205.12195	0.2
223.13242	0.9
236.14064	0.3
245.18950	0.3
249.14844	2.0
255.17503	0.3
261.14880	0.5
262.15634	0.5
263.16461	0.3
273.18460	2.8
273.21140	0.3
291.19492	100.0
292.19843	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.04001	1.9
54.11545	0.5
55.01633	1.5
55.01920	18.1
55.05263	0.8
55.05560	9.7
55.25628	0.6
56.96612	4.0
57.03022	0.6
57.03185	1.0
57.03485	15.8
57.07101	0.9
59.05035	1.0
65.03987	1.8
67.05161	1.0
67.05494	20.7
68.44016	0.6
69.03468	2.6
69.07061	5.5
70.94900	1.0
70.95242	1.4
71.05032	2.2
73.02921	0.6
79.05482	39.2
81.03458	1.7
81.07046	19.1
83.04998	1.5
83.08614	4.3
84.08143	0.5
85.06525	5.2
91.04919	1.0
91.05463	30.2
93.07029	22.4
94.04225	0.8
95.04957	10.0
95.05513	0.7
95.08589	10.2
97.02872	0.6
97.06508	2.8
97.10188	1.6
98.97556	3.4
99.04480	0.8
99.08164	0.9
103.05486	1.1
105.04538	0.9
105.07014	16.5
107.04929	12.4
107.08578	25.3
109.06502	61.0
109.10147	4.7
110.06849	1.1
111.08096	1.8
112.99158	0.7
113.06007	3.3
115.05422	3.3
116.06254	1.6
116.98617	1.5
117.07005	14.4
118.06550	1.1
119.04939	1.3
119.06062	0.7
119.06854	0.7
119.08566	8.9
121.06482	4.4
121.10133	4.7
123.08033	4.4
125.09605	0.9
127.07462	0.6
128.06227	1.9
129.06972	6.0
130.04643	1.1
130.07771	1.3
131.08549	14.5
133.06471	2.9
133.10114	6.3
134.99606	0.7
135.08032	100.0
135.11613	4.6
136.08382	2.8
137.09625	1.6
141.06958	0.7
142.05040	0.6
142.07727	0.9
143.08556	6.6
145.10107	9.0
147.08043	4.4
147.09915	0.7
147.11615	2.2
149.01221	1.6
149.09596	7.4
149.13274	1.5
151.07492	0.7
155.08458	1.1
157.10118	6.1
158.99655	0.8
159.07979	2.4
159.11656	5.3
161.09604	8.4
161.13223	1.7
163.11096	2.2
167.02298	0.7
169.10085	0.9
171.11652	3.3
173.09554	0.9
173.13152	1.8
174.07942	1.2
175.11075	2.3
176.14297	3.3
177.00645	1.1
177.12628	1.7
177.14676	5.5
181.10051	0.9
183.08427	1.8
183.11594	1.7
185.09494	0.9
185.13144	1.7
189.12576	1.0
189.16254	1.3
195.11584	1.0
195.13579	0.7
199.11029	0.9
199.14830	3.8
201.12575	2.4
211.09830	7.6
217.15852	19.3
218.16042	0.9
219.13603	1.8
220.10362	5.3
227.17702	1.5
231.60970	1.6
237.16243	1.1
245.18665	2.3
255.17493	3.3
273.18463	18.2
274.18542	0.7
291.19052	38.6
291.26358	2.7
292.12466	6.8
292.19427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01862	3.2
55.05501	15.9
57.03434	2.6
57.07067	1.6
65.03947	1.5
67.05494	12.1
69.03439	5.8
69.07059	16.5
70.90862	3.5
71.04987	2.2
79.05477	24.0
81.03384	1.6
81.07043	24.1
83.04964	5.0
83.08617	6.5
85.02873	1.7
85.06511	2.8
91.05469	14.5
93.06432	1.7
93.07024	34.6
95.04959	6.2
95.08592	15.7
97.06512	3.3
97.10150	3.8
98.20473	1.2
99.08075	1.4
105.07014	17.4
107.04922	7.2
107.07985	0.7
107.08577	26.4
109.06495	26.4
109.10149	8.2
111.08084	3.8
111.11709	3.7
114.40496	1.3
115.05441	1.9
117.07009	7.3
119.08559	14.3
121.06484	5.4
121.10117	39.4
123.04430	1.3
123.08040	6.7
123.11703	4.6
125.09583	9.4
128.06209	1.6
129.07030	3.0
131.08556	9.7
133.06471	4.4
133.10081	5.6
135.08025	13.5
135.11655	3.4
137.09656	3.1
139.11131	3.7
143.08543	4.0
145.06448	1.4
145.10112	8.4
147.08029	6.0
147.11684	5.8
149.09584	19.3
149.13231	1.7
151.07533	6.9
155.08517	2.2
156.09363	1.8
157.10092	7.9
159.08037	4.5
159.11703	2.9
161.09599	3.5
161.13257	2.3
163.11143	3.1
167.10655	100.0
168.10960	2.0
169.10136	1.8
171.11681	3.7
173.05968	2.1
173.09621	2.2
173.13252	6.7
175.11197	4.9
182.10870	1.5
185.13234	1.9
187.14764	2.3
189.12733	3.6
191.10698	6.6
191.14258	6.2
195.11632	1.4
197.13283	2.8
207.13823	3.7
213.16371	2.6
215.14207	6.2
217.12289	2.6
217.15887	2.1
231.17506	2.1
233.15344	23.1
237.16309	1.4
249.14914	1.2
255.17392	2.8
273.18454	12.6
273.25812	2.6
287.38358	1.2
288.89612	1.3
291.09973	2.5
291.12872	1.8
291.16330	2.1
291.19516	33.7
291.22928	1.3
291.26773	4.6
292.12421	1.9
309.93762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03924	1.4
53.39376	0.2
55.01863	2.1
55.05503	8.5
56.07053	0.3
57.03414	0.7
57.07054	0.6
57.15510	0.3
59.04973	0.5
62.67154	0.3
65.03917	0.5
66.83123	0.3
67.05495	7.9
69.03399	1.0
69.07056	5.7
69.96603	2.1
71.04967	0.8
73.06544	0.3
79.05478	11.9
81.03391	0.8
81.07043	11.6
83.04949	1.2
83.08600	4.7
85.06510	0.7
91.05460	10.6
91.06032	0.5
93.07028	13.2
95.04951	4.9
95.08585	6.3
97.06522	0.9
97.10152	3.5
98.21385	0.4
103.05430	0.4
104.25510	0.4
105.07009	7.8
105.07706	0.5
107.04924	2.8
107.08570	8.1
108.05711	0.5
109.06499	1.4
109.10159	2.3
114.14227	0.3
115.05470	0.5
116.06221	0.3
116.32150	0.3
117.06993	3.4
119.04934	1.7
119.08555	7.8
120.05724	0.8
121.06494	2.2
121.10120	5.3
123.08070	1.8
123.11714	0.8
125.09580	1.9
128.06155	0.4
129.06995	2.3
130.07779	0.4
131.08545	4.0
133.06476	3.5
133.10080	3.4
134.07237	1.1
135.08029	1.7
135.11676	3.7
137.09575	1.1
137.13161	0.4
143.08534	1.7
145.10075	3.3
147.08012	3.9
147.11638	2.6
149.09607	1.5
149.13242	2.9
157.10085	1.8
159.07993	0.5
159.11682	1.0
161.09598	2.0
161.13242	1.3
162.10361	1.0
163.11172	1.7
163.14825	2.0
165.09157	0.9
166.74852	0.3
168.12703	0.3
171.11652	1.7
173.13243	0.6
175.11165	1.7
175.14793	1.8
177.12703	0.4
177.16389	0.5
185.13245	0.9
189.11220	0.4
189.12735	1.0
203.14427	0.4
207.13635	0.3
208.36873	0.4
212.39374	0.3
215.81271	0.3
217.19449	2.2
221.15384	0.4
223.13292	1.2
232.33366	0.3
235.13312	0.4
235.16821	0.6
241.03513	0.4
241.19489	1.3
245.18842	0.4
249.14720	2.3
259.20511	2.1
261.14865	0.3
262.15460	0.6
273.18396	3.5
291.19513	100.0
291.23047	7.9
292.19870	4.5
292.23026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.25694	1.8
54.69550	2.0
55.05497	8.1
57.07063	3.6
59.04981	2.6
60.82132	1.6
65.07840	1.5
67.05489	7.0
69.03403	4.0
69.07039	3.7
69.35970	20.5
71.04977	4.2
79.05491	14.3
81.07042	14.4
83.04970	2.9
83.08629	8.9
85.06555	2.0
88.08819	2.0
91.05453	8.5
93.07019	10.8
95.04952	3.6
95.08588	21.3
97.06509	5.1
98.20735	3.2
105.07020	10.7
107.04932	9.3
107.08573	13.1
109.06506	11.0
109.10134	5.6
111.08060	39.1
117.07018	3.8
119.08557	14.8
121.06461	2.7
121.10135	7.0
123.08053	32.7
125.09588	3.5
129.07024	2.1
131.08521	6.1
133.06462	5.0
133.10091	9.8
135.08023	7.0
135.11687	2.7
137.09566	2.7
142.07803	2.5
143.08551	2.5
145.10120	5.9
147.08035	6.7
147.11661	6.7
149.09645	6.0
151.07516	100.0
155.10542	2.0
157.10092	3.8
159.08095	3.0
161.09578	5.4
163.11208	2.7
164.84265	2.3
171.11630	5.5
173.13229	6.6
175.11177	6.4
177.09039	2.6
179.10634	7.1
189.12721	26.6
191.14273	12.7
192.11411	3.4
197.11661	13.0
197.13216	2.0
207.11797	3.3
207.13777	65.4
213.16296	2.5
215.14290	3.3
217.12195	4.5
227.96252	1.7
233.15323	36.2
235.13268	2.2
249.14748	2.6
249.18477	2.4
255.17450	3.6
273.18451	9.5
291.19501	54.4
291.22763	3.0
292.19760	2.5
311.47699	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	2.4
53.70812	0.9
54.61153	0.9
55.01864	20.4
55.05272	1.0
55.05503	10.9
57.03429	16.6
65.03904	2.1
67.05499	19.7
69.03422	2.5
69.07062	5.1
70.13951	5.1
71.04971	1.2
79.05481	41.1
81.03397	1.8
81.07043	18.6
83.04961	1.8
83.08603	4.4
85.06516	3.9
89.80322	0.9
91.05463	32.5
93.07023	18.7
95.04945	5.8
95.08588	8.7
97.06495	1.6
97.10140	3.2
98.20837	1.5
105.07012	17.5
107.04936	11.0
107.08573	28.2
109.06503	65.1
109.10155	2.2
111.04379	1.1
111.08064	1.1
112.04024	0.9
113.05978	1.9
115.05430	3.2
115.73319	0.9
116.06204	1.1
117.07008	14.7
119.04861	1.0
119.08569	9.8
120.77351	1.1
121.06442	5.1
121.10107	5.7
123.08049	2.2
125.09577	0.9
128.06180	2.0
129.06966	7.0
130.07751	1.1
131.08545	15.7
133.06444	1.6
133.10083	3.9
135.08034	100.0
135.11649	3.7
136.08334	1.7
141.06989	0.9
142.07777	1.6
143.08530	5.4
145.10100	9.6
147.07986	5.3
147.11644	2.1
149.09596	6.8
157.10121	6.1
159.07990	2.8
159.11671	4.6
161.09599	8.6
161.13171	1.2
163.11166	1.2
171.11661	3.2
173.13219	1.6
175.11186	1.3
177.12701	1.5
181.10153	1.0
183.11646	1.8
185.13321	1.1
187.11172	1.3
189.12799	1.1
195.13695	1.0
199.11221	1.0
199.14783	3.8
201.12689	1.8
217.15836	17.1
219.13794	1.9
227.17979	1.8
249.14850	1.5
255.17371	3.5
273.18460	21.9
286.36597	0.9
291.19498	46.2
292.19897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.18121	1.1
55.01850	1.4
55.05490	2.9
57.07053	1.9
59.04980	3.5
67.05482	4.3
69.03403	1.5
69.07040	1.4
69.89268	4.8
69.89684	2.0
71.04964	2.6
79.05463	5.0
81.07044	5.1
83.08585	2.8
85.02903	1.7
85.06529	1.7
91.05453	4.4
93.07024	7.8
95.04945	4.1
95.08590	12.4
97.06488	3.4
101.02390	1.1
105.07046	7.1
107.04914	3.2
107.08562	6.2
108.05709	1.3
109.06518	5.3
109.10087	2.0
109.31799	1.2
111.08061	25.4
117.07008	1.6
119.08556	4.8
121.06455	2.7
121.10125	4.6
122.07204	1.8
123.08056	34.0
124.08404	1.3
125.09644	1.3
129.06976	1.2
130.07855	1.1
131.08530	4.4
133.06454	3.0
133.10150	7.2
135.08023	4.6
135.11659	3.4
137.09583	2.5
142.07726	1.5
143.08514	1.6
145.10101	7.3
147.07988	2.9
147.11665	5.3
149.09604	3.7
151.07524	100.0
152.07899	2.7
156.09325	2.5
157.10097	3.3
159.08022	1.7
159.11699	2.6
161.09595	3.1
163.11124	3.7
163.74046	1.2
171.11681	3.1
173.09464	1.6
173.13203	3.6
175.11168	3.2
177.09084	3.2
179.10663	6.6
185.13123	1.2
187.11206	2.0
189.12741	27.0
191.14311	4.6
192.11414	4.8
193.02066	1.2
197.11719	15.1
197.13298	2.5
203.14381	1.8
207.13776	65.4
208.14111	1.8
213.16354	2.2
215.14249	3.6
217.12245	3.1
231.17390	1.8
233.15361	10.9
235.13190	1.2
255.17387	2.6
273.18393	5.9
284.67313	1.1
291.19510	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	1.9
55.05502	19.1
55.65997	1.1
57.03420	2.5
57.07055	4.4
59.04979	2.4
65.03926	1.3
67.05141	2.3
67.05495	44.2
69.03413	2.8
69.06695	1.3
69.07051	18.7
69.58496	1.3
70.06572	1.9
71.04962	5.1
71.08620	1.4
71.69930	1.8
71.70345	1.7
79.05481	15.6
81.03392	3.8
81.07043	100.0
82.06550	2.0
83.04939	4.2
83.08607	12.7
85.06531	8.0
87.00807	15.6
88.93732	1.4
91.05450	11.5
93.07024	20.6
95.04932	3.7
95.08589	30.6
97.06494	3.2
97.10141	4.9
100.11217	3.4
105.01860	1.9
105.07008	10.8
107.08580	18.3
109.06505	5.3
109.10140	23.3
110.06034	1.5
111.04430	1.9
111.08066	3.8
111.11691	1.6
117.07027	1.9
119.04914	2.3
119.08566	5.5
121.10132	11.6
123.04387	1.9
123.07976	1.9
123.11688	53.3
125.09552	1.5
128.07092	1.2
129.06990	2.2
131.04955	2.1
131.08578	2.5
133.10109	15.1
135.08005	1.7
135.11674	9.3
137.13251	7.1
139.03867	2.5
139.11194	1.9
141.11479	3.2
141.12700	14.9
145.10095	3.3
147.04362	3.1
147.11711	3.0
149.13223	8.9
151.11179	25.3
157.10161	1.7
159.11720	1.6
159.13797	3.3
161.13182	3.2
163.04077	1.5
163.11127	1.3
163.14801	5.3
169.12177	4.0
177.16402	3.0
182.15408	2.4
187.13229	7.9
191.17917	2.0
199.18007	2.3
203.08505	3.2
203.17938	2.0
204.66476	2.7
210.14890	3.1
217.19485	2.3
218.66228	2.2
220.86772	1.3
227.12721	2.4
231.08015	4.5
235.60109	1.4
248.08223	3.9
255.17538	1.9
259.07428	4.5
260.08234	3.7
273.18503	2.8
273.25595	2.7
276.07758	3.0
291.10181	12.5
291.19937	7.9
291.22998	4.7
291.26691	21.8
292.18915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01853	1.5
57.90998	0.7
61.71072	0.6
65.03922	1.5
67.05476	1.0
68.99780	1.9
70.16374	0.9
70.16789	2.2
83.04967	1.2
87.45334	0.5
91.05450	1.5
93.94434	0.7
95.04955	3.4
111.04449	2.7
111.05061	0.5
115.05436	0.9
116.78424	0.5
119.04939	5.7
123.04411	60.5
124.04727	1.0
133.06427	1.2
135.72913	0.6
137.02255	0.9
139.03879	100.0
140.04259	1.7
143.04890	1.7
147.04388	19.0
151.03891	1.8
159.04344	0.8
161.05959	6.7
163.03851	2.3
165.05455	15.8
169.04935	1.5
177.05522	1.4
179.07025	2.5
181.04994	1.2
189.05423	1.7
207.06508	7.0
234.42157	0.6
249.07570	1.7
273.07672	1.8
291.08597	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	291.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76144	1.4
55.01867	2.0
55.05501	18.3
56.05007	2.8
56.96560	1.7
57.07067	17.7
64.20699	1.2
67.05499	16.4
69.03413	2.8
69.07053	9.9
70.06569	2.6
71.04986	2.9
71.70004	1.8
77.31499	1.1
79.05471	11.7
81.03399	2.2
81.07041	37.1
83.04939	1.3
83.08604	5.0
84.04470	4.5
84.08112	2.8
85.01109	5.9
85.06514	5.5
86.00615	1.2
87.02673	1.8
87.08092	100.0
91.05479	11.0
93.07033	15.1
95.04954	4.0
95.08591	24.0
97.06522	2.6
97.10159	1.9
98.09666	5.3
98.97574	1.5
98.98473	1.6
100.11249	1.8
102.03738	9.0
102.04821	1.6
102.05521	9.5
105.07014	10.5
107.04958	2.5
107.08581	12.6
109.02921	1.3
109.06499	2.8
109.10136	16.2
110.09665	1.7
111.04312	1.2
111.08053	3.4
111.11707	1.9
112.03972	2.2
113.04216	3.0
115.05437	3.6
116.01658	3.8
117.07003	4.8
119.08566	7.8
121.06477	1.6
121.10127	9.5
123.04423	1.6
123.08086	1.8
123.11697	10.8
125.09627	3.2
128.06146	1.5
129.06985	2.4
130.06792	2.1
130.08627	4.3
131.08559	5.4
132.05655	2.7
133.10095	5.4
134.06049	1.4
135.08000	2.1
135.11652	5.4
137.13210	4.0
139.03934	2.6
143.04938	1.8
143.08601	1.9
144.05688	11.8
145.06490	9.9
145.10092	3.6
147.08005	1.5
147.11674	2.5
149.09599	1.9
149.13228	8.2
152.07127	1.7
155.06026	1.7
156.08347	2.9
156.10239	2.1
157.10110	2.5
159.11668	2.8
161.13234	3.3
162.02187	1.7
163.14819	4.8
171.11681	2.3
173.05942	29.9
173.13181	2.0
175.11075	1.6
175.14780	1.6
185.13177	1.4
188.03729	3.0
189.03328	1.3
189.05379	1.5
203.08522	2.4
205.06390	13.8
216.06818	8.5
231.10184	1.5
248.08289	1.8
249.18607	1.6
255.17409	1.5
259.11072	48.9
260.08356	1.8
263.09210	2.6
273.18472	4.8
276.07697	2.0
291.10544	6.9
291.13263	6.6
291.19513	8.5
291.23099	2.6
291.26700	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05498	6.1
56.96562	100.0
57.03431	4.9
57.07038	3.2
59.04997	2.6
60.04552	2.6
61.02904	6.1
67.05489	11.3
69.03417	3.9
69.07074	3.4
70.06567	8.8
70.98095	2.8
71.69808	2.9
71.70228	2.8
72.08134	5.2
72.93747	2.9
73.02898	4.0
74.28634	2.5
74.97605	2.9
79.05466	10.5
81.07029	11.1
83.08620	4.0
84.04494	5.4
84.08125	7.4
84.96030	22.5
85.02885	7.4
86.09666	3.4
90.94811	3.2
91.05464	10.2
93.07044	14.6
95.04959	5.7
95.08601	6.2
97.02870	6.0
98.97569	48.7
98.98299	3.5
98.98438	3.2
100.99156	3.3
101.00835	4.4
102.18010	3.1
102.97043	7.8
103.02396	6.0
103.17099	2.5
105.02172	3.4
105.07001	5.1
107.00167	3.3
107.08576	11.7
107.58380	2.4
109.10123	4.6
110.97530	4.1
113.00848	2.9
113.07095	2.2
116.10397	2.4
116.98618	40.5
119.01920	25.1
121.01653	9.0
121.03499	5.6
121.10127	6.4
123.04432	6.3
124.99096	3.7
128.98593	8.4
131.01895	6.2
133.01685	6.0
133.03424	12.1
134.99651	36.2
135.03165	4.2
135.04980	3.0
135.11676	9.1
137.02924	7.6
137.09644	2.9
139.03885	9.3
143.00146	28.1
144.13741	2.9
144.98056	3.5
145.03456	10.4
146.99641	17.3
147.01306	4.7
147.03209	5.7
147.04845	2.4
147.11664	3.1
149.01167	8.8
149.02959	7.6
149.13235	5.8
150.01588	2.9
150.96854	4.4
151.02652	4.8
151.04512	8.4
153.00705	4.8
157.03354	3.5
158.99640	11.4
161.01204	58.1
161.02902	9.4
162.99130	18.8
163.02771	3.4
163.04526	4.6
163.14833	3.0
165.00700	7.0
165.04276	3.2
167.02272	5.6
168.98009	2.4
170.99646	4.6
171.01392	4.7
173.02959	7.0
175.04477	3.2
177.00729	23.9
177.02144	4.2
179.02286	14.8
179.03749	3.6
181.00179	7.3
181.03528	3.3
182.59996	2.6
184.02821	4.7
185.01207	4.6
185.02940	3.1
186.00703	2.8
186.99176	4.1
187.00838	3.5
187.02672	3.3
189.00670	7.7
189.02461	18.2
189.04114	4.9
191.02286	4.8
191.03960	8.2
193.00302	2.7
195.01648	3.9
197.03070	3.1
201.02591	4.0
202.12877	3.0
203.02205	6.5
203.03960	4.4
205.00114	15.9
207.03558	9.9
208.96407	3.3
213.12453	2.8
215.03995	4.3
218.03487	3.6
218.99889	3.4
219.01720	6.3
219.03577	5.8
221.03296	3.5
223.01241	33.3
229.01891	3.7
230.95801	4.4
231.01505	3.5
231.03458	8.5
232.03764	3.0
237.02681	6.0
241.02368	3.6
248.99171	6.3
249.02803	7.2
259.03238	2.7
267.00244	13.7
267.03064	2.7
268.00922	2.9
291.03607	5.8
291.08435	13.6
291.19479	9.1
291.23090	8.1
308.98285	3.5
309.04962	4.8
309.08429	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	291.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15278	0.9
51.49023	0.9
56.96558	26.3
58.99870	1.3
69.03426	1.7
69.14675	1.0
70.94276	0.8
71.37527	0.9
77.00898	1.8
81.03407	1.1
82.99839	1.5
84.04515	1.7
84.96019	5.8
85.01411	1.3
91.02429	1.1
97.02860	1.3
98.97567	9.7
101.00860	14.5
103.02415	13.1
104.29241	1.0
105.00365	2.1
113.00833	2.1
115.02408	9.2
116.98620	9.2
118.01089	2.0
119.01906	63.6
120.02000	1.9
121.03484	8.0
124.99076	2.6
127.02450	1.3
129.04010	1.8
131.01880	19.4
132.01886	1.5
133.03450	59.4
134.03558	1.4
134.99623	6.9
137.02942	21.2
142.01067	5.1
142.03484	3.4
143.00133	14.5
143.01794	6.7
144.98013	1.2
145.03471	7.9
147.01353	3.5
147.04985	5.8
149.02957	6.2
151.04507	19.4
152.98592	1.6
155.01904	1.5
156.05075	1.9
157.02220	1.3
157.03438	9.9
159.01419	2.4
160.02124	7.8
161.01210	21.9
161.02940	21.5
161.04224	1.3
162.99252	2.2
163.04515	3.1
170.99675	4.5
173.02946	15.5
175.00784	1.0
175.03160	1.1
175.04521	9.5
177.00984	2.1
177.02441	3.9
177.04240	1.4
179.02234	3.0
181.99257	1.1
183.01299	1.7
185.01207	5.6
185.02861	2.2
187.02779	2.3
189.00688	7.5
191.03978	17.4
192.98824	1.2
193.00375	1.2
201.02399	35.6
203.02289	4.9
203.03975	2.2
205.00346	4.9
207.01868	2.0
207.50867	1.2
209.05083	8.0
212.02698	1.2
213.00662	4.3
217.01927	1.8
219.03477	100.0
220.03654	2.5
221.01688	1.1
221.05106	3.5
223.01221	5.2
229.01927	5.1
231.01634	6.5
231.03581	4.0
233.05002	1.9
233.66795	1.2
235.03096	2.6
237.04561	6.0
239.06200	2.4
240.00760	1.4
242.04997	6.3
249.02655	3.9
249.04857	7.2
252.00301	1.4
259.00104	1.1
261.04572	1.9
263.06161	4.2
267.00278	2.7
267.03476	1.5
267.05872	1.8
268.02985	1.4
268.32675	1.1
273.02823	1.8
285.04889	2.6
291.03131	1.1
291.05515	8.8
309.04648	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	290.211
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01853	1.2
55.05491	2.6
57.03426	0.8
67.05482	1.6
67.71063	0.9
69.03410	1.2
69.07062	6.0
70.06570	1.2
71.70351	1.2
73.06532	2.0
79.05492	3.4
80.05863	0.8
81.07069	3.8
84.04505	3.9
84.08154	0.8
91.05453	3.3
92.05804	1.1
93.07026	3.1
94.07314	0.9
95.04945	1.8
95.08581	2.7
97.10173	1.0
105.07004	2.9
107.04932	1.7
107.08567	3.2
109.06514	1.9
109.10107	1.2
117.06995	0.9
118.06529	16.5
119.08562	3.4
121.06499	1.2
121.10093	2.0
123.08060	1.4
129.07002	1.7
131.08536	2.1
132.08078	4.7
133.08849	3.5
133.10039	1.6
134.09599	1.7
135.08066	1.8
137.09592	0.9
145.06479	1.4
145.10095	1.8
146.09625	4.6
147.08012	1.5
147.10413	1.1
157.10071	1.1
159.11571	0.8
161.09616	1.5
169.09859	0.8
173.05949	0.9
176.14319	75.7
177.14824	1.6
179.10767	0.7
184.12012	1.3
214.68463	0.7
230.12633	1.3
243.55099	0.8
272.17380	0.8
273.18430	1.6
290.18652	3.8
290.21106	100.0
291.10126	1.2
291.18961	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	290.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01859	0.6
55.05491	1.0
56.05030	2.4
57.03426	3.5
60.04511	1.4
61.02911	4.4
62.65006	0.4
67.05486	0.4
67.90427	0.4
68.99524	0.4
68.99784	4.0
69.03409	1.6
69.07059	0.6
70.06567	0.6
71.04971	0.7
71.37576	0.6
71.37936	0.9
72.04497	1.2
73.02898	3.4
74.06042	0.5
75.47261	0.4
79.05479	0.7
79.09071	0.4
81.03413	2.9
81.07046	1.1
84.04490	100.0
85.02888	16.5
85.04819	0.9
86.03232	0.5
87.00814	6.7
91.05472	0.7
93.07056	0.8
95.08580	0.5
96.04463	1.8
97.02884	2.6
98.06046	3.9
99.04451	0.7
100.04007	0.6
100.11238	0.5
100.88562	0.4
103.03920	17.7
105.01816	2.7
105.07030	0.6
107.08564	0.6
108.04474	1.3
109.02871	3.2
110.06000	0.7
126.05493	23.6
127.03905	2.9
129.01826	5.8
137.05910	0.5
144.06554	0.7
147.02863	4.7
150.05493	0.6
150.13640	0.4
156.06505	2.1
168.06538	6.7
171.02898	1.3
186.07564	3.2
189.03896	6.6
204.08661	2.5
228.08685	0.7
230.06567	0.7
272.07605	4.3
290.08676	13.8
290.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2109
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03920	0.6
55.01860	4.8
55.05494	2.3
57.03207	0.2
57.03425	2.9
57.07054	0.5
57.61513	0.2
57.82414	0.3
58.03753	0.3
59.04985	0.4
65.03901	0.4
67.05491	3.5
67.59972	0.2
69.03419	0.7
69.07053	3.4
70.06586	1.3
70.90701	0.9
71.04988	0.5
73.02565	0.3
73.02908	3.0
73.06548	2.0
79.05018	0.5
79.05476	8.3
81.03384	0.6
81.07043	3.4
83.08595	0.7
84.04491	0.4
85.06511	0.5
88.07611	1.3
91.05456	5.4
93.07014	4.2
95.04942	2.2
95.08582	2.0
97.06499	0.6
97.10139	0.4
105.07008	3.5
107.04961	2.0
107.08575	4.5
109.06500	10.1
109.10119	0.5
111.08022	0.3
113.05905	0.3
115.05454	0.6
117.07007	2.6
118.05655	0.6
118.06519	12.6
119.07278	0.4
119.08526	1.6
121.06499	0.8
121.10120	0.7
123.08033	0.8
128.06255	0.3
129.06960	1.4
130.07718	0.5
131.08545	2.7
132.08051	4.7
132.10144	1.4
133.06516	0.4
133.08856	1.8
133.10078	1.0
134.09619	1.0
135.08025	15.9
135.11610	0.8
137.09555	0.3
143.08510	1.1
145.10135	1.7
146.09607	4.8
147.08023	0.5
147.10461	0.4
147.11632	0.4
149.09586	1.8
149.13240	0.7
150.11217	1.0
152.76704	0.3
157.10104	1.2
159.08022	0.3
159.11630	1.0
160.11229	0.6
161.09584	1.6
163.11143	0.4
163.41414	0.2
171.11720	0.6
175.11191	0.5
176.14314	50.9
177.12825	0.2
177.14673	1.2
183.11609	0.3
184.12010	0.2
185.13301	0.3
189.12619	0.4
199.14839	0.7
202.15892	0.9
217.15831	2.8
219.13818	0.3
232.13275	0.9
246.14909	1.5
247.15686	0.4
255.17528	0.5
260.16525	0.9
273.18396	3.7
290.21091	100.0
290.26700	5.5
291.09885	0.3
291.18979	5.7
291.21994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03923	1.7
55.05273	1.3
55.05503	14.7
60.84377	1.1
65.03922	1.7
67.05495	17.8
69.06739	1.3
69.07059	14.5
69.35406	13.6
73.06527	2.1
79.05479	18.5
81.07042	21.1
83.04962	1.5
83.08599	6.1
85.06523	3.6
91.05465	51.4
92.05759	1.3
93.07028	18.4
95.04930	2.1
95.08591	13.6
97.06483	1.4
97.10132	2.2
98.33102	1.2
105.07016	68.4
106.07310	1.3
107.08584	9.8
109.06463	1.5
109.10122	4.4
117.07007	13.6
119.08558	48.0
120.08915	1.3
121.10144	6.4
129.06975	3.9
131.08539	19.4
133.10110	44.5
135.11626	1.6
141.06918	1.5
142.07762	1.8
143.08514	3.6
145.10106	16.7
147.07976	1.3
147.11670	24.3
154.89052	1.4
155.08508	2.5
157.10091	5.6
159.11673	19.1
161.09627	1.7
161.13271	10.1
169.10056	3.1
171.11629	4.8
173.13229	11.2
175.11194	2.1
175.14813	2.4
183.11662	5.3
187.14853	1.5
197.13214	3.9
201.12694	2.3
211.14723	1.7
211.59157	1.6
213.16287	1.5
215.17918	3.7
229.19450	2.1
239.17834	6.2
257.18985	11.9
289.21564	100.0
290.21924	5.0
314.48175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05500	15.8
65.03922	1.4
67.05138	1.8
67.05492	19.1
69.07052	14.7
70.02104	8.8
71.04993	1.5
73.06536	1.5
79.05476	20.5
81.07044	26.1
83.04917	1.3
83.08591	6.2
85.06505	4.6
87.08108	1.7
91.05461	49.8
91.06035	2.5
93.03367	1.4
93.07025	18.4
95.04976	3.4
95.08576	15.8
97.06489	1.6
97.10132	2.2
98.21359	1.9
103.05463	2.1
105.07011	78.8
107.08575	12.1
109.10118	6.7
117.06997	12.6
118.07822	1.4
119.08554	50.6
120.08906	1.7
121.10110	7.4
123.11673	2.5
128.06198	2.0
129.07024	3.3
131.08539	21.3
133.10106	56.6
134.10509	1.9
135.08009	1.6
135.11647	3.0
141.06946	1.5
143.08533	2.4
145.10080	17.2
147.11661	23.3
149.13295	1.6
155.08507	2.6
157.10130	6.9
159.11670	14.2
161.09592	1.5
161.13216	13.2
163.11226	1.8
169.10110	2.4
171.11667	5.5
173.13249	11.5
183.11653	6.3
185.13188	1.8
187.11130	1.8
187.14819	2.2
189.12779	1.9
197.13153	3.7
201.12695	3.1
215.17906	3.8
229.15871	2.1
229.19429	3.3
231.12196	1.3
239.17929	6.2
257.18988	10.0
289.21567	100.0
290.21909	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	289.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01845	2.0
55.01857	2.3
55.05273	2.7
55.05502	23.5
59.04978	2.5
62.02878	1.9
67.05490	21.8
69.07048	15.7
69.58767	16.1
73.06535	2.0
79.05477	18.4
81.07038	27.0
83.08602	11.7
85.06519	4.7
91.05468	56.1
93.07029	21.8
95.08580	23.3
97.10087	2.6
98.21452	2.4
100.68398	1.8
103.05453	3.3
105.07017	77.9
107.08563	12.3
109.06459	3.3
109.10134	7.6
110.64721	2.0
111.08044	3.8
117.06983	16.9
119.08562	72.3
119.09410	3.9
120.08886	2.5
121.10102	7.7
129.06996	5.1
131.08543	22.6
133.10107	41.2
135.11725	3.4
141.06950	2.2
143.08513	4.4
145.10109	32.2
147.07991	3.0
147.11664	43.1
149.09596	3.4
155.08472	2.9
157.10155	11.0
159.11662	33.4
161.09578	4.4
161.13239	19.4
169.10107	5.1
171.11649	8.3
173.13251	12.9
175.14780	3.7
183.11618	6.7
187.11214	3.2
189.12621	4.2
197.13242	6.6
201.12724	3.0
215.17896	5.7
229.15721	3.0
229.19485	3.5
239.17908	14.9
255.46754	1.9
257.18948	22.2
289.21558	100.0
290.22043	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03936	2.2
55.05506	23.9
55.96162	0.9
59.04980	2.8
65.03919	1.6
67.05492	16.6
69.03381	1.2
69.07052	8.5
69.36478	10.0
69.36893	1.9
73.06524	2.0
77.07245	1.1
77.68946	1.0
79.05481	18.6
81.07043	20.7
83.04980	1.2
83.08617	8.7
84.17421	1.1
85.06536	1.1
88.12431	1.0
91.05465	49.2
92.05774	2.2
93.07034	13.1
95.04961	1.4
95.08596	11.9
97.06493	1.1
97.10152	11.5
99.08070	1.0
103.05437	1.2
105.07011	100.0
106.07339	1.8
106.33458	1.1
107.08572	10.4
109.06511	1.2
109.10128	3.4
117.06997	11.6
119.08561	41.4
120.08911	1.5
121.10129	3.9
125.09602	6.2
129.07024	3.1
131.08553	16.6
133.10107	53.4
134.10460	1.5
135.11650	3.5
137.09590	1.0
141.06961	1.4
143.08499	5.3
145.10103	56.4
146.10776	1.4
147.11664	55.9
155.08504	2.5
157.10091	3.9
159.11656	11.5
161.09599	1.2
161.13243	4.7
169.10115	2.7
171.11618	9.8
173.13260	4.4
183.11664	6.6
187.14781	1.2
197.13193	5.6
201.12715	1.3
215.17912	2.1
239.17905	13.5
257.18967	42.3
258.19318	2.3
261.18491	1.6
289.21570	72.0
290.21860	3.1
310.66895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.25441	1.2
53.03926	3.2
55.01854	2.7
55.05503	23.1
55.05766	2.5
57.03418	2.2
59.04961	1.7
59.12764	1.1
65.03896	1.5
67.05487	20.4
69.07052	16.6
70.55586	4.2
70.55939	1.3
73.06549	2.0
79.05476	22.1
81.07041	31.7
83.04958	2.4
83.08601	9.3
85.06506	4.0
91.05460	66.2
93.07030	19.9
95.04979	5.9
95.08573	16.6
97.06529	2.5
97.10139	7.0
103.05453	2.9
105.07009	100.0
106.07362	2.5
107.04932	2.3
107.08568	15.3
109.06481	2.6
109.10123	5.3
111.08035	1.6
115.05389	2.7
117.06991	18.5
119.04896	1.3
119.08558	56.3
120.08908	1.1
121.06465	2.9
121.10100	6.8
123.08044	2.9
125.09563	3.0
128.06194	1.9
129.07001	7.9
131.08542	29.5
133.06425	1.6
133.10109	57.3
134.10492	1.5
135.08002	3.1
135.11642	2.9
137.09531	1.9
141.06946	3.6
142.07748	2.2
143.08517	7.5
145.06462	3.5
145.10088	38.7
146.10585	1.2
147.07990	2.7
147.11661	41.5
149.09583	2.8
155.08499	5.8
157.10095	7.0
159.08035	4.4
159.11655	18.8
161.09596	3.2
161.13217	8.4
163.07503	1.6
163.11110	2.1
168.09337	3.5
169.10095	5.4
171.11656	8.7
173.09595	2.4
173.13203	13.4
175.11203	1.5
175.14824	2.3
183.11662	13.2
185.13184	3.7
187.11113	1.5
193.12297	1.5
197.13216	5.1
201.12711	4.0
207.13785	1.5
211.11082	2.0
211.14752	2.0
215.14258	1.8
215.17851	3.6
229.12148	7.5
229.15793	1.9
233.15251	1.8
234.20747	1.1
239.17896	7.9
257.18967	23.9
258.19296	1.6
259.14771	1.4
261.18350	1.5
271.16812	4.7
271.20093	1.8
278.19028	1.2
289.18076	11.1
289.21548	94.6
290.21927	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1792
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03932	5.2
55.01854	8.3
55.05502	26.7
57.03429	23.5
57.07062	1.5
59.04990	2.2
61.30133	1.3
64.76257	1.3
65.03912	3.6
67.05494	35.5
69.03421	2.6
69.07052	19.5
71.04975	2.3
71.70823	1.7
73.06540	2.1
79.05481	39.7
81.03399	3.6
81.07044	44.0
83.04967	43.9
83.08607	9.2
85.06527	3.4
85.11138	1.4
89.10219	1.5
91.05464	63.0
92.36743	1.4
93.07029	39.4
93.15438	1.3
94.03751	1.7
95.04954	14.1
95.08587	24.1
97.06517	5.6
97.10162	3.6
99.04446	8.2
99.08077	2.3
99.56973	1.5
103.05441	3.1
104.83562	1.9
105.03354	1.4
105.04585	1.6
105.07013	65.4
107.04938	24.9
107.08592	20.1
109.06508	14.9
109.10136	10.8
111.04411	15.3
111.08080	6.2
113.05965	2.2
115.05460	3.9
116.06174	1.6
117.07001	21.3
119.04930	1.8
119.08560	48.0
120.09283	1.4
121.06504	8.7
121.10135	14.2
123.04395	3.3
123.08041	6.3
123.11687	3.7
125.05998	9.8
125.09631	4.0
128.06201	5.0
129.06975	13.5
130.07773	1.8
131.04884	2.1
131.08536	36.1
132.05681	2.3
133.06476	11.9
133.10112	33.5
135.08037	14.6
135.11674	9.9
137.05954	6.7
137.09613	3.3
141.06996	6.0
142.07742	4.1
143.08533	12.2
144.05659	1.9
144.09331	2.0
145.06468	8.9
145.10123	24.5
147.08029	12.6
147.11655	17.6
149.05951	5.9
149.09612	5.9
149.13249	4.2
149.46300	1.5
151.07532	5.9
153.06956	2.5
153.09053	1.7
155.08553	12.4
157.10106	13.2
159.08041	16.7
159.11667	16.5
160.08856	1.5
161.06015	1.8
161.09621	10.7
161.13216	10.2
163.07512	6.5
163.11185	4.2
163.14830	1.6
167.08572	1.8
168.09343	6.0
169.10046	8.3
171.07997	1.7
171.11684	10.7
173.09566	9.9
173.13243	10.7
175.11147	6.6
175.14807	4.0
177.09100	4.0
177.12740	12.2
179.10905	1.5
179.14305	2.4
182.10941	1.6
183.11659	18.5
185.09621	2.0
185.13164	2.8
187.11169	5.8
187.14833	6.5
189.09064	1.7
189.12718	5.0
191.10648	2.4
193.10193	1.8
193.15883	1.7
197.09554	2.0
197.13210	6.6
199.11151	5.2
201.12721	5.8
205.12207	1.7
205.15887	8.5
211.11182	5.2
211.14885	2.7
215.14276	6.4
215.17935	5.9
225.16376	3.1
229.12233	8.8
229.15900	3.3
233.15294	22.1
235.14561	1.8
239.17888	3.3
243.17406	7.4
253.15860	5.6
257.18973	9.0
261.18469	21.1
271.16864	17.9
271.24078	2.9
289.17944	100.0
289.21564	46.2
289.25116	8.9
290.18192	2.9
295.92743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1544
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03930	0.7
55.01861	0.5
55.05493	2.2
57.03411	0.7
57.07063	0.7
57.54400	0.4
61.06389	0.4
64.84299	0.4
67.05494	2.4
69.03420	0.5
69.07052	2.5
69.52075	1.1
69.52475	3.0
71.04977	0.6
72.08147	0.4
79.05490	3.0
81.03348	0.5
81.05779	0.7
81.07050	4.2
83.04953	0.6
83.08598	1.2
85.06506	0.5
86.70617	0.4
91.05473	6.5
91.54633	0.4
92.06230	0.6
93.07026	4.1
93.66909	0.4
94.06551	0.8
95.04929	1.3
95.08582	2.6
96.08109	2.0
97.06506	0.8
97.10127	1.3
104.04970	0.5
105.06998	2.3
106.06548	2.3
107.04936	1.5
107.08583	2.2
108.08094	1.1
109.06493	1.1
109.10135	1.1
116.04971	0.7
116.98589	0.5
117.05733	0.9
117.06976	1.0
118.06518	5.2
119.08572	2.6
120.08090	12.4
120.08963	0.6
121.01284	0.4
121.06493	0.9
121.10102	1.2
122.09637	0.5
123.11713	0.5
124.07572	9.9
126.09155	0.8
127.03925	0.7
128.06210	0.9
129.06985	1.6
131.08537	1.9
133.05278	0.5
133.06479	0.8
133.10104	1.6
134.05981	5.7
135.08015	1.3
135.11678	0.9
136.07549	7.0
137.05942	0.6
138.05460	2.7
138.09067	0.6
141.06973	0.7
142.07751	1.2
143.08510	2.3
145.06429	1.0
145.10117	1.4
146.05965	4.0
147.06760	1.9
147.07935	0.8
147.11684	0.8
148.07542	10.1
149.05896	0.6
149.13272	0.6
150.09120	0.9
151.11200	0.5
152.07050	1.7
153.06976	0.7
155.08481	1.2
157.10112	1.2
159.07973	2.4
159.11673	0.8
161.09645	0.8
161.13261	0.5
163.07454	0.6
164.07040	100.0
165.07422	2.1
166.08597	3.8
167.08691	0.5
168.09328	1.8
173.09680	0.7
173.13295	0.8
175.11151	0.5
177.09149	0.5
180.06480	0.7
183.11656	4.0
198.09132	0.6
200.10632	0.6
201.12724	1.5
211.11115	0.7
214.11066	0.7
215.15402	1.6
216.10172	1.9
229.12010	2.5
235.20444	0.7
243.14943	6.4
245.16432	2.0
253.13278	1.5
254.11646	1.1
259.05917	0.5
271.14374	20.6
271.16678	0.9
272.14685	1.0
289.03223	1.5
289.15396	67.4
289.17874	3.7
290.15802	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	289.0703
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02372	0.7
53.03920	1.0
55.01863	1.5
65.03919	1.9
67.05499	2.9
68.99763	4.0
69.07044	0.6
69.49319	3.1
69.49750	2.2
70.88458	0.5
72.08125	0.7
77.03926	1.7
79.05457	1.5
81.03382	1.0
83.01328	1.2
83.04952	0.8
85.02895	1.6
89.03906	4.3
91.05457	2.2
93.03407	1.8
93.07024	0.8
95.04956	5.1
97.02876	0.7
98.97556	0.8
103.05448	2.5
105.03361	2.7
105.07030	1.3
107.04935	2.5
109.02922	0.7
111.00798	0.6
111.04429	6.2
115.05424	1.4
117.03354	2.8
117.07015	0.7
119.08587	0.7
121.02834	2.3
123.04410	100.0
124.04795	1.3
127.03896	10.2
128.06213	1.2
131.04906	4.7
131.08559	0.8
135.04388	29.7
137.05978	1.2
139.03879	25.1
141.06921	0.8
143.04907	0.9
145.02835	4.5
145.06441	0.6
147.04317	0.6
149.02316	2.9
149.05991	0.9
151.03879	7.8
153.01831	1.1
153.07076	1.0
157.10028	0.6
159.04425	1.4
161.05968	1.3
163.03880	27.6
168.09341	1.0
169.06456	1.5
173.05971	1.7
177.05487	1.6
179.03491	0.8
183.11702	1.5
185.06062	1.0
187.03828	4.4
187.07526	0.9
195.02869	2.1
197.06004	3.6
201.05368	1.0
205.04959	4.0
215.06999	2.3
219.01817	0.7
225.05460	3.2
229.04874	1.0
229.12189	1.2
231.06606	0.7
237.02802	0.7
243.06476	3.8
245.04314	2.7
253.05016	1.5
259.06030	1.0
261.07608	1.6
271.03049	0.7
271.06006	5.6
287.01816	1.3
289.03427	3.8
289.07040	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	289.0701
Annotation	3,5,7,2'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.78935	0.2
53.03945	0.5
53.91384	0.2
57.03427	8.5
57.19875	0.2
62.37902	0.1
64.13010	0.1
64.13447	0.2
65.03931	0.9
67.01852	0.2
67.25530	0.1
68.99771	2.8
69.03413	0.2
71.33331	0.5
75.04423	0.2
81.03407	3.7
83.01328	0.7
83.05007	0.2
85.02892	22.0
90.94956	0.2
93.03391	1.1
97.02872	1.6
99.04434	0.3
103.36429	0.2
107.01318	1.3
109.02867	3.0
111.00799	1.2
111.04411	0.4
114.53153	0.2
121.02849	10.7
123.04401	0.4
125.02344	4.0
127.03916	0.6
135.00777	0.6
139.03893	0.9
149.02324	3.0
151.03842	0.3
153.01807	2.5
163.03784	0.2
167.03365	1.1
171.02867	3.9
173.05861	0.2
177.01811	3.3
183.11578	0.2
195.02863	100.0
196.03212	1.4
213.03865	1.0
225.05457	0.2
225.44655	0.2
243.06438	0.4
261.03900	0.4
271.06006	2.4
287.01996	0.2
289.03378	2.3
289.06979	3.1
310.00311	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	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96241	1.0
57.03431	1.3
58.99857	2.4
63.63825	1.0
65.47000	0.9
69.03413	1.0
70.02808	1.8
70.03224	3.8
70.06596	0.8
70.99821	1.2
77.00936	1.1
82.99838	2.2
85.02902	3.8
86.96390	0.8
86.99325	0.9
97.02892	1.0
101.00866	25.5
103.02466	1.2
109.07643	2.4
113.00875	1.4
115.02419	12.0
119.01904	100.0
120.01991	2.9
121.03469	1.6
127.03916	1.4
127.08689	6.5
129.03967	3.6
131.01894	9.0
133.03450	28.9
135.05045	2.5
137.02936	21.9
137.03952	1.2
138.91780	0.9
139.03413	1.0
142.03508	2.2
143.01883	14.2
144.02046	1.2
144.99815	3.9
145.03470	5.7
147.01393	3.4
147.05013	5.5
149.02975	2.5
151.04529	5.2
155.01901	1.0
157.03485	3.8
159.01431	1.9
161.02940	52.9
162.03107	2.1
163.04512	2.1
168.99812	6.8
171.01340	6.1
173.02921	10.2
175.00873	2.5
175.04503	2.1
177.02483	1.5
179.04016	2.9
184.04509	1.3
185.02979	2.9
187.00853	24.0
187.04501	2.7
188.00980	1.2
189.02432	18.2
190.02531	0.9
191.03987	11.6
195.02983	1.0
196.99319	2.7
199.00835	8.7
201.02348	4.3
203.03969	4.7
205.01918	10.8
207.03508	6.0
210.02419	1.0
212.04132	1.9
215.00343	22.3
216.00490	1.3
217.01936	19.0
219.03442	6.1
228.99997	1.3
229.01939	6.3
231.03505	2.9
233.01488	3.5
235.02972	1.4
237.04709	1.1
238.01947	1.8
240.03581	1.6
247.03003	25.4
248.03362	0.8
257.01370	1.6
259.02927	2.4
265.03983	7.9
270.04443	1.6
277.04010	1.9
289.03946	4.9
289.07428	1.5
289.14197	1.1
307.05280	4.8
307.08420	1.3
307.90982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43772	1.1
55.07275	1.1
56.96547	2.7
58.99850	2.6
69.71519	2.9
69.71935	4.8
70.06582	2.6
70.98125	0.9
70.99860	1.7
77.00885	1.5
77.46539	1.1
79.64040	1.1
84.08142	1.2
85.02893	1.5
85.56817	1.0
86.09689	1.3
91.02409	1.1
97.02898	1.3
98.20757	2.3
98.21396	2.2
98.97521	1.6
101.00216	2.2
101.00863	31.0
101.73871	1.1
103.00639	1.3
113.00864	2.6
115.02405	14.3
116.98603	2.3
119.01900	100.0
120.02008	2.6
127.08659	1.2
129.03929	2.0
129.66920	1.2
131.01880	14.2
133.03441	29.5
134.03665	1.3
137.02937	21.2
138.03075	1.3
142.03448	2.7
143.01904	10.1
144.99808	4.6
145.03436	7.1
147.01355	7.6
147.05014	3.7
149.02922	4.9
151.04544	5.3
157.03427	2.9
159.01387	1.4
161.02933	48.8
162.03157	1.1
163.04491	2.1
165.02408	1.1
168.99811	7.5
171.01353	10.5
173.02924	7.1
175.00867	3.9
175.04494	2.1
177.02396	2.1
179.03984	2.9
184.04524	1.7
185.02899	3.9
187.00847	19.6
187.04478	1.2
189.02414	15.7
190.95462	1.6
191.03966	10.8
193.01973	1.6
195.02823	3.8
196.99382	3.2
199.00853	11.2
200.96387	1.2
201.02393	4.5
203.04015	2.5
205.01898	10.7
207.01796	1.2
207.03470	4.9
210.02528	1.9
215.00325	21.1
217.01918	28.2
219.03456	13.0
223.02876	1.6
229.01831	6.0
231.03458	1.4
233.01352	3.4
235.02907	3.9
237.04575	1.5
247.02974	21.0
265.03937	8.1
277.03897	2.3
289.03964	9.9
289.07581	3.2
289.20590	1.6
307.05103	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	287.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	79.1
57.07066	68.0
67.05503	49.1
68.24196	14.5
69.07047	85.5
71.08621	43.8
71.69901	20.4
77.11692	15.5
79.05471	38.0
81.07045	76.1
82.03761	19.9
83.08604	73.9
85.10137	23.2
91.05428	17.3
93.07031	72.1
95.03047	18.1
95.08591	57.7
97.06506	35.3
97.10144	49.9
98.98422	19.8
105.06973	22.2
107.08587	65.8
109.10120	23.3
111.08143	22.1
115.23901	18.6
121.10151	57.0
123.11724	33.2
131.08577	23.2
135.11639	39.7
139.11147	30.5
143.08580	24.0
147.23355	18.9
149.13228	37.4
178.24919	16.7
203.12794	21.9
208.10419	19.2
219.21092	51.6
237.22159	34.9
256.26294	20.2
269.19284	24.1
278.08432	16.8
287.05493	100.0
287.20135	26.5
287.23529	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05504	8.2
57.07049	1.8
67.05138	1.6
67.05495	31.1
68.99762	1.0
69.07055	10.9
70.36102	3.4
70.56019	0.7
71.04974	7.7
77.11948	0.7
79.05482	11.6
81.07041	32.9
83.04963	1.3
83.08595	7.0
85.02876	0.9
85.06520	3.6
88.59989	0.7
91.05454	7.4
93.07029	13.7
95.04963	0.9
95.08590	39.8
96.08942	0.8
97.06516	2.5
97.10138	3.7
99.08081	1.1
105.07036	3.7
107.08579	10.0
109.06487	2.0
109.10134	20.3
111.08076	1.6
111.11721	1.1
117.06987	2.2
119.04916	7.9
119.08569	5.3
121.02825	3.4
121.06509	1.1
121.10129	13.6
123.00748	5.3
123.11701	6.7
131.08563	2.3
133.10078	8.0
135.08083	1.6
135.11653	10.1
137.09573	2.3
137.13216	2.0
145.02861	1.3
145.10115	2.4
147.11650	1.7
149.09644	1.3
149.13257	5.3
151.11139	1.9
151.14847	1.4
157.06453	0.9
159.11650	1.6
163.11139	1.3
169.01274	6.2
173.13246	1.5
191.17899	7.1
209.18988	4.5
213.05373	1.0
215.17917	6.0
225.22055	1.5
233.18883	4.4
241.00404	0.8
241.04778	1.8
251.20064	5.2
269.04410	1.2
269.21017	2.5
287.05453	100.0
287.22040	1.1
288.05829	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	287.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.1
54.57972	1.9
55.01860	3.6
55.05502	25.8
57.03423	2.4
57.07064	4.6
63.00011	2.1
63.98422	1.8
65.03906	3.5
67.05492	91.3
69.03432	3.6
69.06740	2.7
69.07059	32.5
70.06573	2.4
70.67027	2.0
71.04985	19.7
71.08616	2.0
71.15398	1.7
71.30723	6.0
76.20936	2.1
79.05479	33.8
81.03416	2.5
81.07042	100.0
83.04966	2.9
83.08599	18.8
84.08068	1.8
84.53674	1.9
85.06536	11.0
86.09679	4.0
91.05466	26.5
93.07032	41.7
95.04931	6.4
95.08589	100.0
97.06517	10.0
97.10143	13.3
98.09644	2.8
98.98422	2.7
99.08089	2.7
105.03333	4.5
105.06995	16.9
107.08574	31.8
109.06489	3.1
109.10139	59.4
111.08051	4.3
111.11685	6.6
117.07014	6.2
119.08553	20.5
121.02798	4.4
121.06480	5.5
121.10127	34.1
123.11678	23.1
131.08549	14.5
133.10103	25.2
135.04305	2.1
135.08017	6.5
135.11674	29.7
137.06042	2.4
137.09605	6.3
137.13228	5.6
145.10075	14.3
147.11655	6.8
149.09592	4.9
149.13208	10.8
151.11157	7.0
153.01793	5.7
153.09061	3.1
159.11720	10.6
163.11192	3.8
163.14835	2.5
173.13210	5.6
181.10139	2.4
181.12045	2.4
187.14751	4.7
189.16399	3.1
191.17953	19.5
195.13815	2.6
209.18983	8.9
215.17917	17.9
225.22108	5.1
227.20047	2.9
231.05797	2.1
233.18999	14.5
251.19972	17.5
257.04422	2.3
259.05029	8.5
269.21155	6.1
287.01633	4.1
287.05420	56.4
287.08978	3.6
287.10150	3.8
287.13574	2.9
287.23727	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05504	3.0
57.03407	0.4
60.07412	0.3
63.00017	0.4
67.01859	1.9
67.05493	5.4
68.02184	0.3
68.99767	1.5
69.03426	0.4
69.07046	1.1
70.06580	0.3
71.04979	2.5
71.08209	0.8
79.05474	3.2
81.03402	0.6
81.07041	4.6
83.08609	1.5
85.06524	0.9
87.04465	0.7
89.03902	1.1
91.05473	2.2
93.07024	4.0
95.04953	0.6
95.08601	3.8
97.06515	11.7
97.10149	1.4
105.07020	1.2
107.04926	0.6
107.08566	2.2
109.02778	0.3
109.06469	0.6
109.10132	2.8
111.08057	0.7
117.03348	0.8
117.06992	0.9
119.08576	1.2
121.02808	0.6
121.06468	0.4
121.10130	1.9
123.08073	0.4
123.11700	0.6
125.09596	0.7
128.75677	0.3
129.01857	0.3
131.08517	1.5
133.10091	1.9
135.04387	4.4
135.08005	0.7
135.11678	1.2
135.18753	0.3
137.02293	1.1
137.09601	0.7
145.10110	0.6
147.04314	0.6
147.11679	0.8
149.09612	0.4
149.13226	1.2
152.48904	0.3
153.01796	12.8
154.02155	0.4
159.11688	1.6
161.02333	1.4
163.07544	0.3
163.11360	0.3
165.01794	0.4
167.08571	0.6
167.10672	0.3
171.02916	1.4
171.04178	0.3
173.13277	0.5
177.12660	0.7
179.03413	0.4
185.05899	0.5
195.08022	0.5
195.13802	3.8
199.03844	0.4
213.05397	0.9
213.14896	1.4
215.17924	1.1
226.66235	0.3
227.10391	0.4
233.18932	1.0
241.04916	2.2
251.19978	0.6
269.04474	0.5
269.17432	1.2
287.05450	100.0
287.18369	2.7
287.23499	0.7
288.05792	8.1
288.09091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
55.05496	4.8
57.07061	4.4
67.05488	11.9
69.07060	27.7
69.43803	9.8
69.44217	18.2
71.78767	2.7
79.05479	3.2
79.24959	2.8
81.07034	12.5
83.08603	2.9
91.05470	7.7
93.07029	6.4
95.04936	4.3
95.08595	12.8
97.06561	5.8
98.27792	2.8
105.07019	18.7
107.08581	9.1
107.62508	2.8
109.10164	19.4
111.04450	6.1
113.05996	9.2
117.07027	3.4
119.08556	27.4
121.10136	11.7
123.11705	20.3
123.34789	3.2
131.08554	7.3
133.10089	22.0
135.07967	4.6
135.11702	6.0
143.08549	5.6
145.10095	27.6
147.11656	13.8
149.09608	6.5
156.09384	3.1
157.10101	11.7
159.08080	3.1
159.11711	15.4
161.13286	16.8
163.11133	5.8
171.11646	9.6
173.09703	3.1
173.13228	7.6
175.11101	4.7
175.14793	20.7
176.15515	4.1
177.09224	2.9
185.09587	2.8
185.13277	5.3
187.11198	4.6
187.14789	4.3
188.15561	4.0
189.16388	7.3
191.10664	9.6
199.14717	4.0
201.12714	4.3
201.16370	15.1
203.10793	3.1
205.12172	7.4
213.12715	6.8
217.12283	6.0
231.13809	8.9
241.19505	6.4
245.19029	5.0
269.19083	9.8
287.05524	6.5
287.16818	5.3
287.20041	100.0
308.08298	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1999
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.05503	12.8
57.07053	7.0
59.04977	4.2
65.03919	3.4
67.05494	23.0
69.03413	6.6
69.07061	18.7
70.53606	9.0
71.04993	3.5
73.33976	2.2
79.05478	15.5
81.07046	21.5
83.04955	6.1
83.08597	6.9
85.06535	5.2
91.05457	20.8
93.07019	28.6
95.04952	23.8
95.08595	23.7
95.91162	2.4
97.06535	11.9
98.98427	5.5
105.07010	33.8
107.04917	2.7
107.08566	33.6
109.06512	12.0
109.10142	14.4
111.08044	2.5
115.05463	2.8
117.07011	11.6
119.08569	35.8
121.06502	5.1
121.10128	32.7
123.08028	6.7
123.11675	2.4
125.09615	6.3
128.06178	5.0
129.06941	11.1
131.08554	35.5
133.06419	3.0
133.10112	23.9
134.10921	2.8
135.08029	10.0
135.11656	6.7
137.09554	3.6
141.06931	3.8
142.07735	7.8
143.08531	24.0
144.09293	8.9
145.06488	3.3
145.10092	35.2
146.10857	2.5
147.08000	7.3
147.11711	14.0
149.09583	14.8
149.13248	4.4
151.11113	2.6
155.08536	6.7
156.09338	12.0
157.10101	36.8
158.10878	9.2
159.11673	27.9
161.09595	7.2
161.13214	4.7
163.11174	3.1
165.07010	3.6
167.08556	2.4
169.10095	9.0
170.10915	11.0
171.11670	32.4
172.08783	2.8
172.12401	6.9
173.09583	5.3
173.13237	40.1
175.11105	5.0
175.14801	6.4
180.09332	2.3
181.10135	4.1
183.11690	10.0
184.12357	3.0
185.09599	2.9
185.13231	20.1
186.13942	7.7
187.11134	9.7
187.14801	15.7
189.11201	2.3
189.12723	10.1
191.14322	5.5
195.11688	10.1
196.12393	3.4
197.13144	5.3
198.10405	2.8
199.11211	5.6
199.14844	5.9
201.12766	4.7
203.14250	12.2
209.13167	4.5
211.14781	9.0
213.12700	20.2
221.13135	4.9
225.16335	3.5
227.14334	5.8
227.17828	3.7
229.15854	9.9
231.13751	16.7
236.15465	2.7
241.19485	9.6
245.18944	2.8
251.17960	5.4
253.92244	2.8
268.92593	2.6
269.18979	58.6
287.05472	6.4
287.16815	4.0
287.20016	100.0
287.23053	3.5
288.20221	3.6
297.59476	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	287.1998
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
54.14791	1.9
55.05485	7.8
57.07047	5.6
59.04985	2.9
62.87061	2.0
63.00019	3.6
67.05502	13.5
69.03414	3.8
69.07062	13.5
70.52558	4.9
70.52966	6.0
77.76450	2.0
78.77213	1.9
79.05476	15.0
81.07034	20.1
83.04952	5.9
83.08611	4.0
85.06508	5.8
90.85886	2.2
91.05454	17.4
93.07028	20.1
95.04949	24.1
95.08584	21.1
97.06493	7.0
97.10166	2.3
103.05470	2.3
105.07006	25.1
107.08572	31.2
109.06494	6.2
109.10108	12.4
111.08038	2.2
115.05401	2.3
115.52838	2.1
117.06985	8.5
119.08559	26.2
121.06464	3.3
121.10119	27.0
123.08016	5.1
123.11671	3.8
125.09627	2.5
128.06224	5.5
129.06985	6.1
131.08545	31.3
133.10121	19.6
134.10901	2.3
135.08046	5.8
135.11659	6.1
136.39130	2.1
137.09587	6.4
142.07736	9.2
142.35780	2.0
143.08525	17.0
144.09291	6.0
145.06499	3.7
145.10089	21.8
147.07971	6.2
147.11636	12.2
149.09598	16.3
155.08522	6.6
156.09334	11.8
157.10109	25.3
158.10912	10.3
159.11685	24.0
161.09618	6.5
161.13205	5.0
165.06932	4.3
167.08423	3.3
169.10097	7.8
170.10901	10.0
171.11638	26.9
173.09619	4.7
173.13232	33.6
174.13936	2.5
175.11154	5.1
175.14803	3.3
177.12874	2.4
180.09106	2.1
181.10098	2.9
183.11655	5.8
185.09587	3.2
185.13214	18.7
186.14015	5.7
187.11139	7.4
187.14758	14.3
189.12738	8.6
191.14270	4.7
195.11674	9.3
196.12416	3.8
197.13261	3.3
199.11099	6.2
199.14854	4.3
203.14330	6.9
209.13257	2.2
211.14828	10.0
213.12650	22.8
214.13139	2.4
219.90813	2.3
227.14258	7.9
227.17909	2.7
229.15831	7.8
231.13756	15.2
241.19470	6.6
251.17812	3.9
269.18930	52.0
272.07364	2.5
287.05487	7.1
287.20007	100.0
288.20361	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78045	0.1
51.02351	0.1
53.03933	0.2
55.01847	0.3
55.05503	0.2
56.39769	0.1
57.03420	0.1
65.03919	0.3
67.01839	0.4
67.05488	0.2
68.99778	2.3
69.03408	0.3
69.07046	0.1
69.99993	0.6
71.04965	0.2
72.74677	0.1
79.05480	1.0
81.03372	0.4
81.07045	0.5
83.01321	0.1
85.02882	0.2
91.05455	0.3
93.07008	0.2
95.04939	0.4
95.08593	0.1
97.02867	0.2
98.20716	0.2
103.05467	0.2
105.03368	1.1
105.07018	0.1
107.04926	1.2
107.08588	0.2
109.02866	0.9
109.10130	0.1
111.00780	1.8
111.04427	0.6
113.20658	0.1
115.05451	0.2
117.07001	0.3
119.04906	0.4
119.08536	0.2
121.02847	7.0
121.10090	0.1
123.00727	0.1
127.03900	0.3
128.06171	0.2
129.06976	0.4
133.02811	1.0
135.04411	0.4
136.07510	0.1
137.02304	2.5
139.05360	0.1
141.06944	0.3
145.06471	0.4
147.04379	1.5
149.02295	0.1
153.01799	11.2
154.02046	0.1
155.06021	0.1
157.06467	1.3
161.05963	0.5
163.03920	0.2
164.07019	0.1
165.01804	3.7
169.06464	0.1
171.03140	0.1
171.04404	0.7
175.03993	0.2
179.03310	0.1
183.02858	1.8
185.05954	1.3
189.03839	0.3
189.05443	0.3
197.05902	0.3
199.03836	0.1
201.05467	0.2
203.03474	0.2
203.06990	0.3
212.04709	0.2
213.05441	3.4
216.04230	0.3
217.04965	0.3
229.04889	0.5
231.06456	1.4
241.04930	1.6
245.04335	0.2
251.57118	0.1
257.04355	0.1
258.05222	2.4
259.05994	0.8
269.04388	0.4
287.05441	100.0
288.05774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
58.06586	3.3
60.04512	0.4
70.06554	0.4
71.06446	0.9
71.08615	11.4
72.04515	1.9
72.08150	3.4
79.25631	0.3
81.03376	0.4
84.08141	1.6
92.70562	0.3
99.08079	21.3
100.07600	11.8
101.07907	0.5
112.11195	1.5
114.09145	7.4
128.10667	2.7
143.11763	0.7
155.15410	0.6
156.13811	100.0
157.14203	2.3
167.07031	0.5
170.15344	1.5
171.14850	2.1
188.17534	0.9
212.04359	0.4
227.21185	0.4
268.23804	1.6
269.22131	2.0
286.03958	0.5
286.24844	72.6
287.25183	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	287.0543
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.22507	0.1
55.01836	0.2
65.03915	0.4
67.01831	0.3
68.99773	2.4
69.03410	0.3
70.06957	0.7
71.01328	0.2
78.71519	0.1
79.05484	0.6
79.25388	0.1
81.03383	0.5
85.33090	0.1
85.67189	0.1
95.04942	0.5
97.02866	0.1
103.05450	0.3
105.03376	1.0
107.04929	1.3
109.02845	0.8
111.00787	1.8
111.04408	0.4
115.05382	0.2
117.07024	0.1
119.04853	0.2
121.02841	7.2
121.03779	0.2
127.03896	0.3
128.06203	0.2
129.06995	0.3
133.02832	1.1
135.04361	0.4
137.02307	2.3
141.06973	0.3
145.02763	0.2
145.06459	0.7
147.04381	1.6
153.01794	11.4
157.06476	1.4
161.05928	0.4
165.01805	3.8
171.04346	0.5
173.05980	0.2
175.03862	0.2
175.07565	0.2
183.02864	1.8
184.05119	0.1
185.05946	1.1
189.05501	0.3
194.02028	0.1
197.05823	0.3
197.32562	0.1
203.03401	0.1
203.06952	0.3
213.05435	3.5
216.04047	0.2
217.04820	0.2
229.04912	0.5
231.06438	1.3
241.04912	1.5
243.06454	0.3
258.05179	2.4
259.05984	0.7
263.05566	0.2
269.04434	0.3
269.70593	0.1
287.05435	100.0
288.05771	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	286.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.05006	0.4
57.03408	0.4
57.07068	1.4
58.06594	2.7
58.68125	0.3
59.25435	0.4
61.39908	0.4
67.05486	0.6
68.99770	0.4
69.03421	0.4
69.07058	0.6
70.06578	3.3
71.04607	0.6
71.04978	6.7
71.53441	0.4
71.69038	0.7
72.08137	8.4
72.59994	0.4
80.05046	0.4
81.07025	0.9
84.04481	0.7
84.08120	2.2
85.06518	1.1
86.06051	0.8
86.09688	3.7
88.03992	0.4
91.05491	0.4
95.04970	0.6
97.06540	0.5
98.09716	0.5
98.97557	0.6
100.07594	9.4
103.05428	0.4
107.01289	0.6
110.07114	0.6
112.11225	1.7
114.09146	4.0
116.07074	2.4
116.98582	0.5
118.08654	0.6
119.08556	0.4
121.02899	0.5
123.04381	0.4
124.07580	1.0
127.12309	0.6
128.10693	100.0
129.11032	1.0
142.12248	16.6
143.11774	0.7
149.02299	1.5
153.01826	1.3
156.05190	1.1
159.14928	0.7
159.43269	0.4
162.58131	0.4
163.03882	0.5
166.03226	0.4
183.04347	0.6
184.04741	0.9
185.06076	0.8
199.18044	1.1
201.05399	0.5
202.05820	1.0
203.03368	0.9
211.03818	0.9
212.04198	5.9
213.05428	1.2
216.20628	0.5
219.02863	0.9
229.04855	0.7
230.05219	1.9
231.06552	1.1
240.03717	3.1
241.04773	1.3
257.04501	1.9
258.04813	6.8
259.02261	0.6
259.05826	1.9
268.03333	3.5
268.23758	1.5
269.04224	0.7
269.22284	2.0
285.03796	0.6
286.00909	0.9
286.04233	33.6
286.24847	74.7
287.01764	2.7
287.05286	9.7
287.10269	2.0
287.13669	0.8
287.25220	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	286.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05494	2.7
56.05004	2.5
56.96558	35.9
57.03409	4.4
58.06577	2.1
59.04980	3.1
60.04494	1.5
61.02924	7.3
63.91685	1.1
68.05000	1.7
69.03426	6.8
70.06219	2.4
70.06581	35.7
70.59127	4.2
70.98097	2.2
71.01355	1.1
71.04976	8.2
72.07775	1.2
72.08145	15.1
73.02874	2.5
74.97594	2.1
79.05482	3.0
80.04984	1.9
81.07041	14.6
82.05304	2.0
83.05015	1.3
83.06102	11.8
84.04482	3.1
84.08102	5.0
84.96028	2.1
85.02901	10.5
86.09666	3.1
87.08091	1.5
87.22863	1.2
88.99146	2.6
93.04515	10.0
95.06086	15.8
95.08611	1.5
96.06882	1.8
97.02869	3.8
98.06017	2.1
98.09682	3.3
98.97550	8.5
100.99107	1.5
107.00179	1.4
107.06052	2.9
109.02867	1.8
109.05108	4.6
109.07561	1.6
110.07149	100.0
110.97540	2.1
111.05555	2.0
112.05080	1.5
112.07585	22.6
112.08717	3.8
115.00509	1.2
116.07064	3.0
116.98590	6.6
119.00146	2.3
119.01916	1.6
121.07620	1.6
124.03094	2.1
124.03935	27.5
126.07742	8.5
127.03919	2.0
127.06184	1.9
128.02321	2.6
128.98586	3.4
129.10187	2.2
130.05013	1.6
131.01892	1.3
134.01205	1.3
134.99675	5.9
136.06152	5.4
137.04582	12.0
138.07727	2.9
140.07039	12.0
143.00079	1.5
144.98058	2.8
145.04973	1.4
146.99597	4.5
147.01260	1.6
153.00690	1.7
154.06183	1.5
154.07208	40.7
154.08466	2.2
155.05658	1.5
156.03313	1.3
156.07666	15.9
158.06599	3.2
158.99615	1.3
161.01105	5.5
161.02985	1.4
162.99147	7.5
163.12282	55.7
165.00594	1.7
166.05992	1.9
168.05396	1.3
170.09158	1.4
173.01192	2.7
174.00697	2.6
174.04413	3.2
175.03859	1.5
176.07632	4.1
177.00676	3.0
177.05901	3.2
181.00211	5.6
184.04601	1.3
185.09129	7.6
186.04375	4.9
188.07642	4.5
189.02286	2.0
190.13400	7.9
190.95268	1.9
191.02213	4.6
192.05327	1.6
197.02083	2.2
198.14850	8.5
199.04446	1.4
204.05537	6.0
205.00171	4.6
205.01929	1.4
206.02583	1.3
208.14381	11.7
208.96399	2.2
210.15855	1.3
211.38475	1.5
212.04214	1.7
212.06128	1.9
214.09247	1.5
219.01773	1.4
219.11205	3.3
223.01276	12.9
224.07614	3.0
227.07022	1.4
228.23663	1.3
232.57497	1.6
232.96350	2.3
236.13911	8.3
237.02753	2.4
240.17076	8.8
241.02292	2.3
241.15323	1.9
242.08908	2.2
246.02730	1.8
250.97499	2.6
254.14977	21.9
258.04797	1.6
269.08694	1.5
269.22226	2.4
286.04465	2.0
286.08838	3.3
286.11392	8.3
286.14914	3.4
286.17566	72.8
286.24561	6.1
287.05338	2.8
287.17810	3.1
291.00198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
56.96549	1.5
57.03426	3.2
60.31264	0.7
61.02906	1.1
69.03413	2.0
70.06568	5.2
70.25705	1.7
70.26091	1.4
71.01350	1.1
72.08142	2.6
73.02899	2.5
80.05000	0.8
81.07028	0.8
82.04050	2.7
83.06064	0.7
84.05610	1.0
84.08102	1.5
85.02878	2.5
88.96884	0.7
94.04039	1.2
97.02882	1.6
98.09650	0.9
98.21212	1.6
106.06529	3.1
109.05109	12.7
110.03528	4.5
110.07152	2.7
112.05068	4.0
112.07575	3.3
115.03873	1.2
116.07064	1.3
119.03537	2.1
121.05103	1.7
124.03938	15.8
124.07570	3.1
125.04501	0.9
125.06960	1.0
126.05341	1.1
126.07745	27.8
127.06148	5.2
129.10147	0.7
136.06158	12.3
137.04565	37.3
137.06834	1.1
138.07716	6.5
148.06082	0.8
149.06993	0.8
150.07713	2.0
151.06110	1.3
152.05620	0.9
154.07213	100.0
155.05646	1.7
155.07648	0.7
158.06671	0.9
163.12292	1.3
166.07245	1.9
168.08810	1.4
176.07661	1.2
185.09189	1.4
186.04442	0.7
188.07718	0.8
196.08334	1.9
198.14838	1.3
204.08772	2.6
220.08163	0.7
226.09343	1.6
232.08339	0.9
242.08670	0.9
250.09311	2.1
258.12003	2.1
268.10321	3.5
286.09225	1.6
286.11520	21.3
286.14761	1.0
286.17725	1.6
286.24884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01857	5.3
55.05502	51.1
56.05026	2.1
56.96552	5.2
57.03419	10.4
57.07059	12.4
63.00018	2.4
67.05491	78.6
67.48930	1.9
69.03416	4.1
69.07056	88.4
71.04969	6.3
71.08613	5.4
71.70418	3.9
79.05480	32.5
81.03407	9.3
81.03845	2.1
81.07043	100.0
82.07388	2.8
83.04970	8.8
83.08604	53.8
85.02882	5.2
85.06529	7.9
85.10185	2.0
91.05460	33.3
93.07027	43.8
95.04949	6.8
95.08590	86.2
97.06505	18.7
97.10154	40.5
98.97539	3.9
98.98447	2.8
99.08074	9.4
105.06999	27.6
107.08588	24.9
109.06507	6.1
109.10136	35.5
111.08054	10.2
111.11685	16.8
113.09636	2.4
116.98623	2.4
117.07022	3.4
119.08556	26.9
121.06535	2.4
121.10125	33.5
123.08057	4.8
123.11676	16.2
125.00040	2.0
125.09617	6.5
125.13264	4.8
129.07011	3.3
131.08513	4.2
133.10106	26.2
134.16792	2.0
135.11668	31.6
137.09604	6.4
137.13206	10.6
139.11142	8.7
145.10124	4.4
147.11678	30.3
149.01202	6.7
149.09605	2.8
149.13203	6.1
151.11188	8.4
151.14818	5.9
153.12712	6.1
157.10091	5.4
159.11682	4.1
161.13219	14.1
165.12746	10.5
165.77022	2.6
167.02254	2.5
175.11223	3.4
175.14786	20.6
179.14249	6.0
181.04950	15.8
189.16335	2.7
191.17949	2.9
193.12196	7.1
193.15826	7.0
193.19415	3.5
196.49031	2.1
201.05452	3.7
211.13161	3.3
217.19489	39.2
225.09015	2.6
225.74504	2.3
229.04935	6.0
235.20526	29.9
239.03500	2.4
253.08469	2.7
253.21600	7.5
285.03979	6.1
285.10779	3.8
285.13522	9.7
285.16846	8.5
285.21976	4.6
285.24695	2.6
285.63809	3.3
286.19965	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.05238	4.0
55.05501	62.2
57.03433	16.6
57.07072	14.0
57.21324	2.6
63.00031	5.0
67.05144	3.9
67.05495	77.0
69.03419	4.5
69.06689	4.7
69.07058	84.6
69.66158	2.4
71.04973	7.3
71.08604	4.9
71.71458	4.1
73.06509	3.5
79.05483	37.7
81.03403	25.8
81.07043	100.0
81.18031	2.2
83.04960	14.6
83.08608	50.4
85.02894	16.7
85.06515	4.8
85.10151	3.2
91.05465	35.0
93.07024	44.3
95.04957	17.0
95.08588	76.8
97.06503	17.3
97.10159	37.3
98.98461	3.7
99.04414	3.0
99.08067	6.5
103.06130	2.4
105.07007	37.7
107.08586	30.5
109.06499	9.7
109.10144	29.8
111.08026	11.7
111.11707	14.3
113.09653	3.3
118.87659	2.6
119.08564	32.4
119.81145	2.2
121.10132	34.2
123.08011	3.5
123.11685	15.7
125.09622	6.9
125.13268	4.0
129.06943	5.0
129.09041	3.0
131.04851	3.2
131.08556	7.8
133.10115	26.9
135.11681	25.8
137.09583	5.3
137.13254	7.7
139.11157	9.6
147.08063	2.6
147.11681	26.5
149.01253	3.1
149.13249	6.1
151.11180	9.0
151.14825	7.9
153.12686	5.7
157.10086	9.2
159.11713	4.0
161.13200	12.7
165.12692	9.0
175.11145	8.0
175.14771	13.4
181.04915	20.6
191.17793	4.0
193.12219	23.4
193.15935	2.8
193.19478	3.4
211.03845	3.5
211.13254	11.2
217.19475	29.9
220.65825	2.4
226.06677	2.8
229.04903	6.3
235.20552	27.5
243.06532	4.9
253.21605	7.0
285.03955	11.4
285.07135	3.4
285.11145	9.5
285.16971	15.3
285.21683	3.7
285.29407	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03934	3.6
55.05500	23.4
57.07067	4.7
60.78669	2.9
63.00026	3.6
67.05485	30.0
69.03441	3.8
69.07056	63.7
70.66188	11.1
71.04974	11.1
79.05476	16.3
81.07048	40.6
83.04961	4.3
83.08617	12.1
85.06542	4.6
91.05447	22.9
93.07034	32.7
95.04955	14.4
95.08596	45.3
97.06528	18.5
97.10181	5.4
98.98449	3.6
105.07020	72.1
107.08584	40.7
109.06506	24.8
109.10151	33.0
111.08083	5.3
117.06995	6.9
119.08566	100.0
121.06475	12.4
121.10141	33.7
123.08004	5.6
123.11707	22.0
128.06181	3.7
131.08534	13.7
133.10110	56.7
135.08070	15.8
135.11685	15.6
137.09567	5.5
141.06973	4.1
143.08571	11.2
145.06447	5.3
145.10117	20.9
146.07281	8.7
147.07990	4.9
147.11687	26.8
149.09590	4.6
149.13315	5.2
155.08531	9.4
156.09288	6.2
157.10118	11.7
159.08022	5.3
159.11696	18.9
161.09595	93.7
161.13266	10.0
163.11188	3.8
169.10135	7.0
170.10954	3.7
171.11652	6.2
173.09422	3.7
173.13260	9.3
174.75011	3.4
175.11182	5.0
175.14809	66.9
177.16383	13.9
177.32780	3.4
181.04909	24.2
183.11748	8.4
185.13223	16.3
187.14821	5.6
189.16359	7.1
193.15912	12.8
197.13242	11.4
199.14795	6.4
201.16389	3.9
211.14772	14.7
215.17839	4.8
229.04971	6.8
229.15718	3.8
248.81009	3.8
267.21045	16.7
285.07672	3.6
285.11118	7.8
285.15747	4.4
285.22104	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24926	0.2
55.01848	0.3
58.06589	2.5
66.27874	0.3
67.05481	1.2
70.06595	0.4
70.95953	0.5
70.96346	0.8
71.04993	0.4
71.08619	9.0
79.05473	0.9
81.03391	1.2
81.07030	1.1
84.08119	1.4
93.07014	1.0
95.04961	0.7
95.08601	0.7
99.08081	16.5
100.07597	1.3
105.07018	0.6
107.08575	0.9
109.10150	0.6
109.95348	0.3
112.76591	0.3
119.08548	0.4
121.10081	0.7
128.10701	2.2
130.08563	0.5
133.10062	0.3
135.08008	0.3
146.11717	0.3
147.11546	0.3
153.09070	0.3
155.28348	0.3
156.13815	100.0
157.14171	1.4
170.11726	0.6
175.11174	0.3
181.04959	0.3
193.12250	0.8
225.19585	19.0
245.16791	0.3
249.18393	0.4
257.04437	0.6
285.03912	3.5
285.07233	0.7
285.21692	36.7
286.21957	1.0
286.24887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
55.01841	2.0
55.05504	15.2
56.96534	1.0
57.03428	22.5
57.07056	1.4
62.03885	0.9
62.53122	1.0
63.00007	2.1
65.03912	1.0
67.05491	37.6
69.03390	1.7
69.07056	17.8
69.55800	7.7
69.56208	2.0
71.04967	7.1
71.38346	1.1
77.03879	3.0
79.05479	23.5
81.03419	8.4
81.07043	100.0
83.04949	7.7
83.08609	9.8
85.02880	2.5
85.06520	7.3
91.04943	1.6
91.05463	29.1
93.06519	1.4
93.07023	15.4
95.04945	7.3
95.08591	22.5
97.02834	5.0
97.06517	8.7
97.10123	2.2
97.94337	1.2
98.97511	1.7
98.98404	1.6
99.08083	5.2
101.05946	2.5
103.05396	3.5
105.03354	2.2
105.07011	44.6
107.04885	1.3
107.08578	12.1
109.06478	6.5
109.10104	3.9
111.07996	2.0
113.05965	2.5
115.05402	1.5
116.98582	1.1
117.06992	1.4
119.07771	1.9
119.08560	31.2
121.10120	18.2
123.04348	1.3
123.08054	5.1
123.11682	30.1
127.07446	2.4
129.06926	4.7
131.04872	2.6
131.08495	3.9
133.02821	16.2
133.10117	5.8
137.13165	3.7
141.09009	1.8
145.10065	3.0
147.11659	72.1
148.11929	1.2
149.09537	1.5
151.03799	5.0
155.04793	2.1
157.10063	4.3
161.05963	6.2
165.06949	2.5
165.12732	37.2
175.11143	5.3
181.04964	8.0
183.04297	1.2
183.13734	3.3
193.06384	3.5
193.12163	9.0
201.05461	2.5
210.06651	2.9
211.03859	7.6
211.13097	2.7
217.04921	26.1
218.05159	1.8
221.05917	2.7
225.09042	5.2
229.04924	6.1
229.14235	4.9
239.03250	1.4
243.06349	3.2
253.08612	8.8
257.04385	8.1
261.03900	2.3
262.91360	1.0
267.02731	2.1
267.15765	3.6
270.08542	1.3
285.00745	1.9
285.03912	27.0
285.07309	2.5
285.11115	9.5
285.16797	36.8
285.21930	3.4
285.29761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.01852	2.3
55.05503	14.6
57.03166	1.4
57.03429	23.5
57.07064	1.2
59.04976	1.5
59.20861	1.2
63.00026	3.1
65.03925	1.9
67.05150	2.6
67.05494	40.7
69.03413	3.1
69.07051	20.7
70.06558	1.7
71.04984	6.7
71.70029	1.7
73.06539	1.5
79.05480	23.5
81.03421	6.4
81.07045	100.0
83.04970	10.0
83.08614	10.8
85.02872	4.2
85.06517	6.0
91.04931	1.8
91.05465	30.1
93.07023	19.4
95.04961	7.6
95.08591	23.7
96.43131	1.4
97.06519	7.2
97.10127	2.4
98.98446	1.5
99.08042	4.7
101.06006	1.6
103.05438	1.7
105.07009	38.4
107.04943	1.5
107.08585	13.5
109.06500	7.3
109.10097	3.9
111.04382	1.1
111.08075	2.2
113.05967	1.5
115.05382	1.5
116.98633	2.0
117.07022	2.8
119.08559	30.3
121.02879	1.7
121.10133	20.0
123.08015	4.2
123.11681	28.6
127.07505	3.6
129.06999	6.6
131.04834	2.6
131.08521	3.4
133.10071	5.6
134.20973	1.5
134.99524	1.5
137.13184	1.5
142.07738	2.3
143.08514	1.6
145.10049	2.5
146.78737	1.4
147.07961	1.6
147.11665	75.1
148.44574	1.5
149.09554	1.6
155.08528	1.3
157.10110	6.9
161.05885	2.3
165.06981	2.9
165.12735	36.8
175.11089	5.4
181.04961	10.9
181.06448	2.2
183.13797	3.9
186.03006	2.0
193.06371	3.4
193.12204	6.0
201.05325	2.7
209.04333	2.0
210.06726	2.7
211.03764	5.2
211.13196	1.8
221.05833	2.4
225.09093	6.0
228.04126	1.7
229.04942	6.5
229.14262	5.4
243.06430	3.8
253.08495	8.7
257.04333	5.7
267.02942	1.8
267.15820	4.2
285.03824	15.9
285.07407	3.1
285.11325	12.5
285.16849	42.2
285.21890	2.6
285.29752	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01843	2.1
55.05245	1.0
55.05501	15.5
57.03430	20.5
57.07073	1.2
58.47037	1.0
63.00019	1.9
64.45358	0.9
65.03920	1.6
67.05495	36.9
69.03417	2.2
69.07062	16.4
70.04801	5.8
71.04980	4.7
79.05483	22.5
81.03390	4.0
81.07043	100.0
82.07342	1.3
83.04972	8.3
83.08607	10.2
85.02881	1.4
85.06539	7.3
87.04449	1.6
90.77049	0.9
91.05464	31.0
93.07034	16.7
95.04945	8.4
95.08589	20.1
97.06526	8.7
97.10134	1.6
97.78439	0.9
98.20729	1.3
98.98441	1.3
99.08087	4.7
101.05999	1.7
103.05442	1.1
105.06350	2.3
105.07017	35.7
107.04933	1.8
107.08582	13.5
109.06510	7.3
109.10118	2.3
111.08057	2.0
113.05956	2.0
117.06969	1.3
119.07745	1.6
119.08569	29.6
121.10123	21.5
123.08028	4.5
123.11692	30.7
125.09555	1.6
127.07539	1.6
129.07022	4.7
131.04878	1.6
131.08525	3.1
133.10075	4.0
135.08041	1.0
137.05927	1.1
137.09515	1.4
137.13217	2.1
141.09071	1.4
142.07756	1.0
143.08551	1.1
145.06471	1.2
145.10078	1.7
147.11664	74.0
149.09576	1.6
157.10109	5.7
159.11629	2.3
161.05930	3.5
165.07011	5.1
165.12732	34.5
168.46393	1.0
169.10217	1.1
175.11186	7.8
181.04906	6.1
181.06345	1.6
182.07242	1.7
183.02824	3.0
183.04312	1.3
183.13771	3.9
193.06476	2.7
193.12227	5.4
201.05437	1.8
204.71844	1.0
207.07755	1.0
210.06726	3.8
211.03922	5.4
219.79482	1.0
221.05951	3.6
225.09053	7.6
229.04926	4.5
229.14354	6.1
238.06030	1.6
239.03505	1.2
239.06863	1.3
243.06450	1.6
253.08559	10.7
257.04291	5.7
258.04788	1.6
267.02722	1.6
267.06570	1.9
267.15829	4.4
267.21030	1.4
285.00760	1.4
285.03873	21.3
285.07516	5.5
285.11087	9.7
285.16898	38.6
285.22119	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01849	4.0
55.05240	1.3
55.05499	17.8
57.03163	2.1
57.03427	35.4
57.07047	1.4
59.04979	1.5
63.00024	1.5
65.03925	1.3
67.05497	28.3
68.09677	0.9
69.03428	6.5
69.07055	9.5
69.58599	9.2
71.04979	9.4
79.05481	25.1
80.05813	1.2
81.03405	100.0
81.06550	1.2
81.07043	35.9
83.04958	14.7
83.08607	35.1
85.02888	51.1
85.06501	3.0
86.14217	1.0
87.04388	1.4
90.20303	1.1
91.04920	1.9
91.05462	36.2
93.06495	1.7
93.07029	15.9
95.04953	33.2
95.08082	1.3
95.08593	12.8
97.02856	5.6
97.06507	5.6
97.10131	3.0
98.20636	1.7
99.08050	2.0
103.05434	1.9
104.61190	1.1
105.04543	1.1
105.07014	28.3
107.04921	7.3
107.08570	9.1
109.06502	5.7
109.10124	3.6
110.01855	1.3
111.04408	3.5
111.07318	1.3
111.08067	18.8
113.05992	5.2
115.05426	2.3
117.06979	2.4
119.07748	1.4
119.08560	25.3
121.06464	1.4
121.10130	14.0
123.08031	4.0
123.11666	5.0
125.09544	1.9
129.06976	12.5
131.08542	14.3
133.03490	1.3
133.06468	3.4
133.10100	9.7
135.11594	1.7
137.09569	2.0
142.07713	3.4
145.10103	3.1
147.07980	4.1
147.10551	1.9
147.11662	22.3
149.09598	7.1
151.11124	1.5
153.77040	0.9
157.08858	1.7
157.10095	18.7
165.12726	5.7
175.11147	20.2
181.05000	5.7
193.12212	90.7
201.05388	1.4
211.03824	1.6
211.13254	55.6
213.12068	1.0
224.62970	1.3
225.09106	1.6
229.04916	3.7
229.14253	4.7
243.06459	2.9
249.27783	1.0
253.08591	1.6
267.15845	7.8
285.04013	5.1
285.07690	1.7
285.11105	3.8
285.16895	48.2
285.21750	2.2
286.17157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01865	4.2
55.05510	17.0
57.03431	24.2
57.07072	1.2
65.03929	2.0
66.65209	1.2
67.05499	30.5
68.09911	1.4
69.03425	4.9
69.07056	11.8
69.38473	14.0
71.04976	5.8
72.83007	1.2
79.05482	28.1
81.03408	100.0
81.07047	47.1
83.04970	12.4
83.08614	25.3
85.02892	23.0
85.06531	5.1
87.04461	1.6
91.05470	33.2
93.07027	16.6
95.04951	35.5
95.08595	17.9
97.02872	2.1
97.06522	5.7
97.10153	1.9
99.08083	1.8
102.00735	1.3
102.88472	1.3
103.05417	2.2
104.66914	1.2
105.07018	28.2
107.04932	8.2
107.08587	8.2
109.06516	8.7
109.10141	4.4
111.04451	1.7
111.08078	11.9
113.05984	2.4
115.05458	3.1
117.07014	2.0
119.04929	1.6
119.08564	23.0
121.06503	1.6
121.10152	10.5
123.08064	3.6
123.11720	7.5
125.09612	1.6
129.06978	10.1
131.08557	10.2
133.06432	4.0
133.10126	10.2
135.08049	1.5
135.11670	2.6
137.06152	1.3
137.09685	2.6
141.32465	1.6
142.07729	2.9
143.08557	1.3
145.10147	2.8
147.08037	2.9
147.11671	29.0
149.09607	6.0
151.11195	2.8
155.04883	3.1
157.10095	16.0
165.06995	2.5
165.12750	11.4
175.09659	2.2
175.11157	19.7
181.04941	5.9
183.04387	1.8
193.12218	52.9
210.06764	1.8
211.03925	8.7
211.13239	22.4
221.05876	3.0
225.09082	4.1
229.04953	3.6
229.14330	2.2
253.06218	1.6
253.08528	7.9
257.04443	13.3
267.02817	3.4
267.15848	9.7
285.03952	29.0
285.07251	2.8
285.11203	6.7
285.16922	28.8
285.21939	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
53.04836	1.4
55.01855	2.5
55.05504	15.8
57.03426	21.0
62.39771	1.1
65.03916	1.1
67.05144	1.2
67.05499	23.2
69.03424	4.2
69.07051	6.9
69.45971	7.9
69.46395	3.9
71.04988	6.3
79.05479	19.4
81.03404	100.0
81.07043	28.8
83.04967	10.9
83.08606	23.0
85.02892	24.2
85.06532	3.2
86.44268	1.1
86.99791	1.2
87.04475	1.7
91.05469	26.2
93.07034	17.2
95.04952	33.7
95.08603	10.6
96.08118	1.2
97.02893	2.6
97.06531	4.1
97.10130	2.1
97.64887	1.1
99.08085	1.3
105.07015	16.3
107.01250	1.2
107.04928	7.1
107.08585	7.7
109.06505	6.2
109.10117	2.6
111.04434	2.8
111.08066	13.6
113.05946	2.5
115.05473	1.7
117.06959	2.2
119.04884	1.6
119.08552	19.9
121.02862	1.9
121.06451	1.6
121.10114	10.8
123.08012	2.1
123.11749	2.9
129.06993	12.8
131.04863	1.5
131.08549	10.1
133.06491	2.9
133.10141	8.6
135.07889	1.3
135.11679	1.8
137.09610	2.4
139.00299	2.0
142.07790	3.0
145.10106	1.7
147.08064	3.3
147.11661	15.9
149.09608	5.5
151.11133	2.0
155.04961	1.7
157.10094	16.6
165.12784	3.5
175.11166	16.3
181.04926	3.9
183.04344	1.6
193.12209	57.7
201.05420	2.2
211.03873	5.2
211.13280	22.5
229.05034	3.2
229.14322	2.7
253.08551	2.1
257.04407	13.9
267.02835	1.5
267.15833	10.0
285.03912	25.9
285.07004	1.7
285.11331	3.9
285.16925	24.0
286.04291	2.7
287.05554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03925	4.9
55.01858	2.2
55.05505	18.3
57.03426	38.5
60.50444	1.5
63.36996	1.4
65.03928	2.0
67.05497	33.8
69.03401	6.6
69.07057	9.3
69.59840	11.6
69.60263	3.5
71.04980	10.1
79.05486	24.8
81.03406	100.0
81.06605	2.9
81.07047	39.3
81.07539	2.1
83.04966	13.9
83.08608	34.7
84.99477	1.5
85.02892	66.3
85.06527	3.2
91.05470	36.6
93.07029	23.5
93.72667	1.6
95.04401	2.8
95.04957	35.6
95.08594	13.2
97.02844	3.1
97.06514	5.5
97.10151	4.5
98.20670	1.7
98.65108	1.7
103.05408	1.7
105.07016	29.8
107.04930	6.3
107.08565	15.6
109.06516	8.4
109.10130	7.2
110.81020	1.7
111.04424	4.9
111.08062	16.8
113.05983	6.2
115.05470	1.9
117.06990	2.0
119.08564	28.9
121.06444	2.3
121.10119	17.7
123.08066	4.3
123.11659	4.6
125.09589	2.1
129.07013	11.6
131.08545	15.1
133.06468	5.3
133.10097	12.6
135.08017	1.8
137.09648	2.3
142.07713	3.6
143.08543	5.3
145.10069	7.9
147.08038	5.3
147.11676	23.8
149.09616	6.0
155.08521	1.6
156.09303	1.8
157.10109	24.0
159.11662	5.5
163.11324	1.8
165.12733	5.8
169.10129	2.8
171.11659	2.7
173.09552	2.6
173.13306	2.0
175.11153	24.3
181.04942	3.8
183.11703	2.4
193.12216	92.8
199.14787	3.2
211.11238	3.4
211.13255	61.2
229.04976	1.7
229.14330	1.9
257.18848	2.3
267.15909	6.9
285.03815	1.8
285.11310	1.9
285.16693	46.5
285.29721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.26742	1.8
53.03939	4.2
55.01865	4.1
55.05505	22.2
57.03428	36.4
63.00019	3.7
64.90893	1.6
65.03915	1.6
67.05494	33.2
69.03410	7.1
69.07059	10.0
70.06627	10.0
71.04977	8.7
79.05479	27.7
81.03402	100.0
81.07044	36.6
83.04975	12.8
83.08612	35.7
85.02895	61.5
85.06516	2.7
91.05457	31.9
93.07030	17.5
95.04955	33.4
95.08585	16.0
97.02835	2.7
97.06514	6.2
97.10179	4.1
98.98431	2.5
103.05444	2.6
103.38532	1.8
105.07010	29.5
107.04941	8.7
107.08579	8.7
109.06498	7.5
109.10137	5.3
111.04421	3.8
111.08062	19.4
113.05972	5.6
115.05432	2.4
115.56625	2.3
117.07001	3.8
118.63964	1.9
119.08554	25.0
121.10143	12.8
123.08016	4.6
123.11703	3.9
128.27873	2.1
129.07004	13.4
131.08556	12.2
133.06476	3.1
133.10085	11.5
137.09645	2.3
142.07741	5.3
145.10066	1.9
147.08000	4.7
147.11649	23.8
149.09608	7.8
157.10095	17.7
159.46967	1.9
163.11172	2.3
165.12749	7.1
173.50565	1.7
175.11160	21.2
181.04962	11.0
193.12216	93.7
211.11246	3.2
211.13268	62.2
229.04828	3.4
229.14322	5.0
230.49905	2.0
233.48808	1.8
267.15948	8.9
285.03937	3.3
285.11224	7.9
285.16803	47.4
285.29871	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	285.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01853	4.4
55.05506	18.9
57.03429	28.8
63.00021	1.6
67.05492	28.3
67.06053	1.7
67.21761	1.2
69.03415	5.0
69.07061	10.1
69.49844	9.8
69.50256	3.5
71.04990	6.7
79.05485	26.0
81.03407	100.0
81.07045	35.7
83.04980	11.6
83.08612	29.2
85.02895	52.4
85.06518	3.3
91.05473	32.8
93.07027	18.9
95.04958	37.4
95.08598	10.8
97.02860	5.6
97.06501	6.3
97.10107	1.6
103.05439	2.3
105.07019	26.1
107.04935	8.5
107.08550	9.3
109.06492	6.4
109.10134	3.3
111.04441	3.3
111.08071	18.7
113.05979	5.6
117.06985	2.2
119.08560	23.2
121.06497	2.3
121.10119	11.8
123.08086	2.2
123.11692	3.9
129.07001	9.7
131.08554	13.8
133.06464	4.1
133.10106	11.3
137.09583	2.2
142.07761	3.8
144.71970	1.5
145.10034	1.7
147.08025	2.8
147.11676	26.4
149.09637	6.9
157.10120	19.3
165.12729	7.5
175.11177	23.4
181.04962	6.0
193.12218	80.2
194.12558	2.4
211.13272	55.5
229.04959	1.8
229.14304	4.8
240.23299	2.0
267.15808	7.3
285.03894	3.9
285.11316	2.8
285.16837	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
54.05285	1.9
55.01852	3.0
55.05510	18.8
57.03429	38.9
65.03919	3.2
67.05490	30.8
69.03411	4.9
69.07054	9.7
71.04971	10.2
71.71631	4.1
72.06886	2.0
74.44249	2.1
79.05476	27.2
81.03403	100.0
81.07045	41.0
83.04973	18.2
83.08609	33.6
85.02895	56.4
85.06516	3.3
91.05460	33.7
92.84604	2.3
93.07031	23.3
95.04950	35.9
95.08584	13.3
97.02889	3.9
97.06532	5.1
97.10155	4.6
99.08083	2.9
105.07008	30.5
107.04942	5.9
107.08579	11.5
109.06499	5.8
109.10152	6.0
111.04411	4.3
111.08064	21.1
113.05977	5.9
115.05386	3.5
117.06990	1.9
119.08579	25.2
121.10114	13.1
123.08028	4.7
123.11681	5.9
125.09641	2.9
129.06992	11.0
131.04953	2.0
131.08554	10.2
131.15869	1.9
133.06485	4.7
133.10117	9.1
137.09630	4.4
145.10100	2.3
147.08043	4.2
147.11676	24.8
149.09602	6.3
157.10106	23.6
165.12743	8.1
173.49431	2.2
175.11148	25.3
181.04932	8.5
193.12210	88.8
194.12581	2.8
211.04047	2.4
211.13255	62.2
211.15146	3.8
229.04910	4.4
229.14395	3.2
239.03288	2.2
267.15869	9.4
285.03836	7.7
285.11206	2.8
285.16864	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03926	4.1
55.01845	5.6
55.05501	22.1
57.03165	1.8
57.03427	32.7
61.24400	1.7
61.72582	1.6
65.03938	2.0
67.05495	29.3
69.03398	6.8
69.07069	9.0
71.04969	9.3
79.05478	32.5
79.97044	1.7
81.03403	100.0
81.06605	3.2
81.07043	41.3
83.04971	15.8
83.08609	30.7
85.02386	3.2
85.02888	64.0
85.06498	3.3
91.05468	33.3
93.07027	20.6
95.04955	39.1
95.08594	14.8
97.02906	8.4
97.06507	4.8
97.10143	3.6
105.07011	29.2
107.04945	8.1
107.08572	12.3
109.06483	7.3
109.10150	5.4
111.04426	2.8
111.08054	20.4
113.05969	3.5
117.06981	2.7
119.08565	22.2
121.06458	3.0
121.10123	14.6
123.07993	2.0
123.11674	5.2
125.09605	1.7
129.06970	14.2
131.08527	10.9
133.03470	4.6
133.06499	2.3
133.10088	9.9
137.09566	2.1
142.07730	2.4
145.10052	2.8
147.08012	4.2
147.11665	26.7
149.09595	7.1
157.10106	19.2
161.02863	2.4
165.12735	7.3
173.19669	1.7
175.11148	23.3
181.04916	5.3
193.12207	85.3
211.13261	53.9
211.15179	3.8
229.09700	3.1
229.14342	3.0
229.43069	2.1
267.15836	6.9
269.12286	1.9
285.03912	4.0
285.11816	2.5
285.16882	45.5
305.54892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03917	4.2
54.76274	1.1
55.01851	3.5
55.05503	18.5
57.03428	33.6
59.04978	1.3
65.03922	1.6
67.05148	1.5
67.05495	23.4
69.03413	5.4
69.07047	6.5
70.20393	5.7
71.04979	8.1
79.05478	24.0
81.03403	100.0
81.07040	29.8
83.04971	15.6
83.08602	32.7
85.02892	61.7
85.06510	1.8
91.04925	1.8
91.05460	27.0
93.07024	17.9
95.04951	34.1
95.08578	8.3
97.02848	3.0
97.06504	6.6
97.10140	2.8
105.06327	1.9
105.07011	27.4
107.04942	6.3
107.08575	9.1
108.79959	0.9
109.06485	5.8
109.10116	3.9
111.04414	3.3
111.08059	16.6
113.05966	4.4
113.62879	1.3
115.05435	2.1
117.06989	2.5
119.08565	23.2
120.18141	1.0
121.06464	1.5
121.10121	11.2
123.08000	2.5
123.11672	4.3
125.09617	1.4
129.06990	10.6
131.08553	11.3
133.06471	2.4
133.10095	9.4
137.09554	2.4
142.07741	2.8
147.08005	3.0
147.10564	1.7
147.11649	19.6
149.09621	6.9
151.11113	1.2
157.10109	15.6
165.12762	5.5
175.11154	22.1
190.70184	1.1
193.12210	85.6
211.13257	56.4
211.14807	1.4
229.14301	3.0
267.15897	7.1
285.16901	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95359	0.8
53.03930	3.4
54.78684	1.1
55.01860	2.6
55.05502	11.6
57.03162	1.2
57.03426	19.4
59.49530	0.8
62.50855	0.8
65.03923	0.9
67.05494	19.5
69.03420	4.6
69.07066	5.4
69.68928	7.3
71.04975	5.3
79.05478	19.8
81.03406	39.9
81.07038	20.8
83.04977	8.0
83.08605	12.9
85.02890	31.5
85.06505	1.5
91.05459	20.8
93.07034	9.7
95.04394	1.4
95.04957	17.7
95.08592	9.2
97.02840	1.8
97.06498	3.2
97.10162	1.2
98.21431	1.3
103.05464	1.6
105.04485	1.1
105.07015	15.7
107.01272	1.8
107.04921	3.7
107.08569	5.4
109.06489	4.6
109.10132	2.4
111.04442	2.0
111.08064	8.6
113.05978	3.5
115.05396	1.1
117.07000	2.2
118.04073	1.1
119.08559	11.9
121.02873	0.9
121.10111	6.6
123.08028	2.1
123.11689	1.9
129.07001	6.0
131.08549	6.6
133.06454	2.1
133.10107	6.5
137.02332	1.0
142.07759	1.9
145.06479	2.1
147.08055	1.4
147.11667	12.9
149.09596	3.4
151.97066	0.9
155.04909	14.2
155.50226	0.9
157.10094	8.9
165.07008	1.1
165.12755	2.0
167.07004	2.7
173.05963	3.5
175.11168	10.8
181.04866	2.6
183.04395	9.8
193.10542	2.1
193.12218	30.0
198.20119	1.0
201.05434	8.2
211.03871	29.0
211.13289	17.0
212.04282	1.6
225.09088	1.4
229.04895	14.5
230.05370	1.2
239.03433	4.4
256.03729	2.3
257.04419	74.1
258.04782	4.3
267.02863	7.9
267.15887	2.2
268.25577	1.0
285.03903	100.0
285.16907	20.8
286.04285	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01848	2.7
55.05500	16.6
57.03425	20.8
57.07047	1.7
65.03930	1.8
67.05141	2.0
67.05491	36.0
69.03393	2.4
69.07055	20.5
69.40784	3.9
69.41211	6.4
71.04980	7.4
79.05481	21.0
81.03417	5.5
81.07041	100.0
82.07363	1.9
83.04959	8.4
83.08603	10.2
85.02876	2.0
85.06528	6.9
87.04459	1.2
91.04924	1.8
91.05456	26.0
93.07031	14.4
95.04939	7.6
95.08004	1.5
95.08592	22.6
97.06497	7.3
99.08058	5.0
101.06040	1.4
105.07010	37.1
107.04987	1.7
107.08585	12.3
109.06499	8.1
109.10121	2.4
111.08028	2.2
115.07506	0.9
117.06999	1.4
119.07732	2.1
119.08556	27.9
120.08845	1.1
121.10123	20.6
123.08032	4.9
123.11681	29.9
125.09581	1.8
127.07514	3.0
129.06969	2.9
131.08534	2.3
133.10104	5.0
135.11646	1.0
137.09610	1.2
137.13210	2.8
147.11658	73.8
148.12030	1.5
149.09538	1.4
153.06837	1.3
155.04904	1.1
157.10191	5.1
161.05925	1.2
165.06924	1.4
165.12735	35.4
175.11166	7.0
181.04926	2.5
183.13753	2.7
193.12244	6.1
201.05479	1.3
210.06670	1.4
211.03844	4.2
211.13173	1.8
222.33434	1.1
225.09004	2.4
229.05058	1.6
229.14229	4.9
239.03230	1.1
243.06447	2.0
253.08594	3.9
257.04404	7.4
267.02856	1.9
267.15765	3.8
285.03940	14.6
285.07520	1.5
285.08102	1.5
285.11435	7.5
285.16888	41.3
285.21976	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	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01846	3.3
55.05489	1.9
57.03409	4.3
58.74181	1.4
63.72743	1.9
67.05482	1.7
70.06572	3.4
71.01035	3.2
79.05486	8.9
81.03401	2.4
81.07047	2.5
88.66650	1.6
91.05476	16.7
92.86003	1.5
93.07027	2.5
95.04932	2.8
95.08517	1.4
100.11256	2.0
103.05462	6.7
105.03372	4.4
105.07025	19.4
106.04168	2.7
107.04960	11.2
108.05785	1.7
109.06493	5.8
115.05457	3.6
118.04269	1.5
119.04924	21.8
121.06488	10.0
123.04362	1.6
123.08064	2.0
125.05967	4.3
131.04866	2.1
133.06488	16.6
134.03625	5.7
135.04387	6.0
136.05165	5.8
137.05943	3.5
139.30074	1.5
140.04675	13.1
147.04387	6.4
149.05959	15.2
151.07523	14.3
152.04652	1.9
153.05452	93.2
154.05908	2.9
155.04930	3.1
161.05962	28.7
163.07617	1.7
164.04735	1.7
165.05473	2.7
167.07021	19.4
168.07806	71.0
169.08180	1.9
174.52827	1.9
177.05467	2.4
179.07019	8.8
181.04924	5.5
181.08603	4.0
183.04388	2.6
193.08600	29.2
193.10234	3.2
196.07285	70.1
198.61646	1.5
201.05458	3.0
207.69969	1.9
209.08076	6.2
211.03909	23.3
211.09622	42.8
212.04288	1.6
218.21135	1.5
229.04955	6.2
239.03403	12.9
257.04428	25.5
267.02832	14.3
268.03220	2.0
285.03912	100.0
286.04269	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	285.0386
Annotation	Lucernol
Peak:m/z	Relative Intensity
53.03929	0.4
53.43819	0.2
55.01849	0.5
55.05512	0.9
57.03426	1.3
59.04980	0.2
60.54240	0.2
63.00025	0.3
65.03921	0.3
66.08308	0.2
67.05499	2.5
68.99760	0.2
69.03401	0.3
69.07061	0.9
70.65262	0.6
71.04951	0.4
77.03909	0.2
79.05489	2.3
81.03403	5.2
81.07047	3.3
83.04954	0.7
83.08604	1.8
85.02887	1.2
85.06522	0.2
91.05466	1.9
91.58116	0.2
93.07036	1.4
95.04955	2.4
95.08597	1.2
96.71236	0.2
97.10123	0.3
98.04353	0.2
98.09687	0.2
103.05421	0.6
105.03379	0.4
105.07014	1.9
107.01300	2.1
107.04916	0.3
107.08538	0.7
109.06466	0.6
109.10136	0.6
111.04393	0.3
111.08040	0.8
113.05968	0.4
115.05419	0.7
116.13950	0.2
117.06981	0.7
119.08595	1.5
121.02811	0.4
121.10098	0.8
127.05405	0.8
129.06993	0.7
131.04897	0.8
131.08501	0.6
133.06407	0.3
133.10126	0.9
135.11629	0.2
137.02304	0.4
137.03362	0.2
137.09604	0.4
142.07793	0.3
145.06435	1.6
147.08034	0.3
147.11642	1.1
149.02321	0.5
149.09596	0.5
151.11183	0.2
153.01797	0.4
155.04893	15.3
155.05966	0.6
156.05199	0.2
157.10118	1.1
159.04387	0.7
161.05943	0.3
163.03815	0.2
165.12698	0.5
167.03383	0.5
173.05981	2.7
175.11163	1.2
177.01895	0.2
181.04924	0.8
183.04385	8.8
187.03903	0.8
193.06354	0.3
193.12215	3.1
200.04596	0.9
201.05440	7.7
202.05815	0.2
210.06691	0.2
211.03868	29.9
211.13194	1.7
212.04317	0.6
221.06000	0.4
225.09026	0.4
227.03189	0.3
228.04095	1.1
229.04921	13.7
229.14252	0.2
239.03346	3.5
243.06526	0.3
243.11263	0.3
253.08501	0.9
256.03644	2.5
257.04407	73.4
258.04727	1.4
260.03046	0.3
267.02847	6.2
267.15909	0.4
284.29449	0.5
285.03891	100.0
285.16718	2.0
286.04266	2.3
297.58438	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	285.0387
Annotation	4-Hydroxycoumestrol
Peak:m/z	Relative Intensity
53.02506	0.2
55.01839	0.4
55.05486	0.4
57.03390	0.5
57.43547	0.2
60.03058	0.2
63.00018	0.3
67.05495	1.1
68.99748	0.4
69.03351	0.2
69.07059	1.1
69.64202	0.9
69.64613	0.6
70.06550	0.2
71.04955	0.4
74.59035	0.2
79.05475	0.9
81.03406	3.0
81.07043	1.1
83.01314	0.4
83.04945	0.3
83.08572	0.6
84.08083	0.3
85.02857	0.6
86.09675	0.2
91.05477	1.0
93.06985	0.5
95.04928	0.9
95.08548	0.6
97.02870	0.2
97.06515	0.4
98.09670	0.2
98.98418	0.3
99.08067	0.3
103.05416	0.5
103.87646	0.2
105.03290	0.3
105.06966	0.6
107.01295	1.3
107.04916	0.3
107.08541	0.6
109.02820	0.2
109.10101	0.3
111.08025	0.3
115.05428	0.5
117.06941	0.6
119.08527	0.4
121.02832	0.8
121.10094	0.6
124.03887	0.7
127.05399	0.4
128.06175	0.3
129.06897	0.2
131.04875	0.4
131.08469	0.3
133.10081	0.4
135.11624	0.3
137.02344	0.2
145.06468	1.5
147.04279	0.2
147.11649	0.3
147.87633	0.2
149.02271	0.3
149.97737	0.2
153.01773	0.4
155.04897	8.4
155.05984	0.4
156.05171	0.2
156.13821	0.3
157.10091	0.4
159.04320	0.4
165.01804	0.4
165.12766	0.2
166.02145	0.5
167.03413	0.6
173.05969	1.9
175.11127	0.3
177.01811	0.2
181.04865	1.2
183.02895	0.4
183.04367	5.0
184.03180	0.3
185.03392	0.3
187.03839	0.5
193.12265	1.1
200.04645	0.5
201.05438	5.6
204.53854	0.2
211.03864	24.7
211.13356	0.2
212.04260	0.7
225.09094	0.2
228.04138	0.5
229.04921	10.0
239.03391	3.0
243.06355	0.3
253.08510	0.3
256.03638	1.2
256.06329	0.3
257.04413	51.4
258.04678	1.0
267.02832	7.5
267.15887	0.3
267.19464	0.2
268.03186	0.2
284.03287	0.2
284.06244	0.7
284.29446	0.4
285.03900	100.0
286.04285	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	284.0986
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01860	0.3
55.02981	0.2
55.06021	0.1
56.96553	1.5
57.03424	0.6
61.02902	0.1
69.03415	0.5
70.06567	0.6
71.01331	0.2
71.68462	0.2
71.95277	0.1
72.08118	0.1
73.02889	0.2
77.00897	0.1
82.04051	0.1
84.08110	0.2
85.02876	0.5
97.02869	0.3
98.05988	0.1
98.52203	0.1
98.96967	0.2
98.97567	2.0
101.00879	0.2
109.05099	0.5
109.95923	0.2
110.03505	2.3
110.07148	0.2
116.98589	2.0
119.01904	1.7
127.03916	0.1
128.04553	1.5
128.98567	0.1
131.01878	0.3
133.03444	0.3
134.04582	0.2
134.90910	0.1
134.99657	1.3
135.02995	3.9
136.06175	0.6
137.02933	0.4
138.02974	0.1
145.03429	0.2
149.02931	0.2
152.05646	100.0
153.04051	8.9
153.05882	0.6
154.02402	0.3
157.03346	0.1
158.99789	0.2
161.02850	0.2
170.99709	0.1
174.00705	0.1
175.00874	0.6
175.05203	0.1
177.00940	2.0
177.02327	0.1
178.01039	0.2
189.02499	0.2
191.00388	0.2
191.04031	0.2
192.98705	0.2
193.01924	0.3
194.04089	0.1
201.00745	0.1
201.02412	0.2
202.02376	0.1
207.03418	0.1
216.98836	0.1
217.04022	0.4
219.01927	3.1
219.03799	0.2
220.02101	0.3
221.01857	0.2
224.08057	0.2
225.00961	0.1
234.99779	0.2
242.03444	0.2
242.99937	0.1
243.01945	0.7
250.52425	0.1
260.00043	0.2
260.99994	0.6
261.03000	12.7
262.03094	1.0
263.03635	0.1
275.04352	0.1
276.02356	0.1
279.00516	1.3
284.04633	0.7
284.29449	0.2
285.04233	0.1
302.01071	0.2
302.05667	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	285.0385
Annotation	4-Hydroxycoumestrol
Peak:m/z	Relative Intensity
50.63467	0.2
53.03941	0.3
55.01853	0.4
55.05508	0.3
57.03416	0.6
57.38963	0.2
63.00011	0.2
65.15446	0.2
67.05489	1.0
68.99776	0.3
69.07032	0.4
70.95388	0.7
71.01262	0.2
71.04954	0.3
77.03943	0.2
79.05463	0.8
81.03401	1.8
81.07043	1.3
83.04942	0.3
83.08606	0.5
85.02894	0.5
91.05458	1.1
93.07018	0.6
95.04955	0.9
95.08572	0.8
97.06536	0.3
103.05441	0.6
105.03362	0.2
105.07011	0.7
107.01301	1.7
107.08568	0.4
109.06508	0.4
109.45640	0.2
111.08076	0.3
115.05389	0.3
117.07008	0.7
119.08556	0.5
121.02869	1.0
121.10102	0.6
123.11590	0.3
127.05415	0.7
131.04878	0.5
131.08540	0.3
133.10075	0.4
135.11652	0.3
137.02364	0.4
137.09625	0.2
139.05421	0.3
144.05724	0.2
145.06471	1.6
147.11659	0.7
148.71179	0.2
149.02301	0.3
153.01801	0.6
155.04898	16.4
155.05968	0.7
156.05251	0.3
157.10129	0.3
159.04372	0.8
165.12775	0.3
167.03366	0.8
173.05965	3.1
175.11206	0.3
177.01866	0.3
181.04932	0.5
183.04395	9.1
187.03856	0.7
188.42270	0.2
193.12238	0.9
200.04655	1.2
201.05438	7.4
211.03877	30.3
211.13255	0.6
212.04224	0.9
215.03226	0.3
225.09082	0.2
227.03363	0.3
228.04095	1.4
229.04929	14.9
229.14302	0.6
230.05374	0.3
239.03326	3.4
240.04076	0.3
243.06691	0.2
253.08604	0.3
255.02893	0.3
256.03619	3.6
257.04416	76.3
258.04718	1.4
263.01923	0.3
267.02850	7.5
268.03394	0.3
284.29318	0.4
285.03903	100.0
286.04282	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	284.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73453	0.6
55.01862	1.1
55.02978	1.6
56.96554	1.7
57.03424	1.0
57.07060	0.7
60.04494	0.6
61.02905	0.8
69.03426	1.1
69.07050	0.6
70.04051	0.8
70.06567	2.2
70.54762	0.5
71.01353	3.6
71.54664	0.8
72.84098	0.6
73.02905	1.6
82.04047	2.8
84.05605	0.6
84.08129	0.7
85.02888	1.9
88.09033	0.6
94.04029	0.8
95.06066	1.0
97.02867	1.4
98.03517	2.3
98.97533	1.1
109.05109	6.4
110.03506	5.4
110.07138	0.7
116.98573	0.8
119.03559	1.5
121.05125	1.2
124.06169	0.7
125.04593	5.3
125.06981	2.1
126.05419	0.9
126.07736	4.6
127.06142	10.0
128.04536	3.2
133.04987	0.8
134.07066	0.6
135.03015	3.9
135.05365	1.7
135.06688	1.0
136.06168	100.0
137.04579	10.0
137.06566	0.6
138.07716	1.1
148.06105	0.6
150.07755	1.3
151.06131	0.8
152.05655	93.4
153.06453	0.7
154.07213	13.2
155.05701	1.0
156.03282	0.6
164.05603	1.2
166.07259	1.0
174.04373	1.9
175.06114	0.6
178.07193	2.1
182.06728	1.2
186.04286	1.3
188.07564	0.6
190.98738	0.6
194.06760	1.1
196.08284	1.2
204.05478	1.9
204.15025	0.7
220.08322	1.1
224.07780	0.8
238.09369	0.9
248.07719	0.9
256.10382	1.6
266.08746	3.0
267.07114	1.6
284.09872	21.4
284.13046	1.3
284.29544	2.5
285.03885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31077	0.2
56.96537	0.3
59.31739	0.2
71.47277	0.4
98.21088	0.2
98.97537	0.7
100.48585	0.2
101.00835	0.7
116.98558	0.7
119.01900	7.1
120.01978	0.4
122.97765	0.2
129.57953	0.2
134.99742	0.9
137.02933	3.8
140.98740	0.2
142.03488	0.2
153.00851	0.5
158.99849	0.7
176.02486	0.2
177.00926	18.9
177.99770	0.2
178.01076	1.5
179.00648	1.1
180.00696	0.3
182.99823	0.4
193.04042	0.3
195.01904	0.5
200.02509	0.7
201.00919	0.9
217.04034	2.7
218.03482	0.8
219.01978	24.8
220.02115	2.0
221.01724	3.9
222.01743	0.4
225.00847	2.0
228.19009	0.2
234.99825	0.3
236.00038	0.4
236.99652	0.3
238.30217	0.2
238.56673	0.2
240.05630	0.4
242.03572	0.8
243.01935	6.0
244.01791	0.2
249.01396	0.2
258.06796	0.8
260.00095	0.4
260.04620	1.3
261.03024	100.0
262.03143	6.9
263.03601	0.4
266.03586	0.6
278.01105	0.8
279.00275	0.3
279.02597	0.7
284.00122	0.9
284.04648	7.5
284.29437	0.6
284.99789	0.5
285.04727	1.0
302.00989	1.9
302.06158	1.7
303.00806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03932	2.9
55.01854	4.9
55.05483	8.5
57.03428	3.8
57.07048	3.2
60.52502	1.9
60.56162	2.1
65.03914	2.7
67.05492	18.2
67.89635	2.3
69.03397	7.8
69.07056	10.2
71.04967	6.8
72.99770	1.9
79.05482	24.7
81.03390	3.9
81.06596	2.9
81.07043	34.0
83.04978	9.8
83.08588	8.4
85.06548	2.7
91.05458	23.2
93.07034	39.9
95.04948	13.0
95.08584	18.1
97.02874	5.8
97.06492	6.6
97.10156	2.5
103.05425	2.0
105.07006	51.8
107.04942	3.7
107.08575	30.6
109.06486	8.9
109.10119	17.6
111.04387	5.8
111.08038	4.7
115.05434	2.1
117.07020	11.3
119.08563	38.7
121.06489	9.4
121.10122	100.0
123.08041	8.1
123.11677	4.7
125.09647	3.2
128.06221	3.6
129.06976	6.4
130.07744	5.2
131.08534	29.5
133.10118	28.0
135.08040	10.5
135.11650	12.6
137.09607	2.7
141.06953	3.5
142.07755	6.1
143.08565	15.7
144.09311	5.5
145.10097	39.2
146.07195	2.3
146.86720	2.0
147.07991	4.3
147.11655	10.7
149.09595	2.6
149.62602	1.9
153.12694	6.3
155.08578	4.6
156.09288	6.0
157.10117	19.3
158.10924	6.2
159.08092	5.2
159.11649	16.8
161.09613	28.6
161.13214	3.4
163.11153	13.6
165.07016	3.2
167.08517	3.9
168.87602	2.1
169.10101	4.1
171.11661	14.3
173.09549	4.7
173.13245	48.6
174.70525	1.9
175.11139	3.6
175.14763	6.8
176.70660	1.8
179.08502	4.0
180.09256	2.4
181.10077	3.6
181.12209	5.9
182.10866	2.2
183.11638	5.8
185.13254	7.1
187.11131	3.8
187.14754	10.8
189.12675	3.7
191.10623	4.8
191.14174	2.6
194.10799	3.4
195.11633	5.3
197.13213	6.9
199.11224	4.1
199.14705	4.2
201.12683	2.5
201.16394	3.7
207.11617	2.6
209.11617	4.8
209.13330	11.0
211.14731	3.1
213.12888	3.2
213.16354	3.2
223.14778	7.1
225.16336	3.5
227.12578	5.7
227.14360	6.8
235.14716	3.5
241.15878	3.0
255.21054	7.4
261.81653	2.1
265.19440	22.4
268.36920	2.3
274.34879	2.1
283.15378	7.1
283.20517	90.3
284.20844	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	283.2051
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.27941	1.7
53.03925	2.8
53.68863	1.7
55.05508	11.1
57.07061	2.8
62.18761	1.7
67.05495	16.5
68.02499	1.5
69.03403	7.2
69.07050	10.2
70.55099	7.4
71.04961	5.0
79.05476	14.7
81.07043	26.1
83.04971	2.8
83.08578	3.5
87.88493	1.8
91.05470	20.6
93.07030	28.7
95.04961	13.0
95.08582	20.2
97.06485	4.0
102.68622	1.7
103.05397	2.7
105.06344	2.4
105.07016	44.4
107.04907	2.6
107.08568	25.0
109.06521	8.2
109.07160	1.7
109.10141	14.1
116.17771	1.6
117.06973	7.4
119.07742	2.6
119.08566	35.9
121.06484	8.8
121.10126	71.0
123.08038	7.1
123.11683	8.0
128.06207	4.2
129.06978	5.5
130.07718	4.4
131.08545	24.7
133.10100	27.4
134.10464	1.6
135.08047	7.0
135.11658	10.8
141.07019	2.6
142.07736	6.0
143.08545	14.9
144.09297	3.9
145.08965	2.8
145.10103	40.1
147.08002	3.9
147.11632	8.7
149.09511	2.4
149.13124	2.2
155.08524	4.0
156.09322	3.1
157.10100	17.7
158.10837	6.1
159.08029	5.2
159.11678	14.3
161.09581	24.4
161.13226	6.5
163.11150	6.4
167.08582	2.9
168.09312	2.9
169.10022	3.8
170.10878	2.4
171.11630	12.0
173.09642	3.7
173.13251	49.9
175.11160	5.8
175.14772	7.1
179.08568	4.9
181.10095	5.2
181.12143	1.9
183.11674	9.4
185.09492	1.8
185.13245	11.8
186.54552	1.9
187.11198	2.7
187.14856	9.3
189.12715	2.0
192.72150	2.1
193.10097	3.1
194.10854	5.8
195.11716	8.0
197.13231	5.0
199.11139	2.5
199.14835	7.1
201.12671	2.1
201.16354	4.7
203.14330	2.5
207.11760	3.0
209.13217	15.9
210.14117	2.3
211.14793	3.1
213.12669	4.5
213.16362	4.9
215.14197	1.9
223.14812	9.0
223.16628	1.7
225.16351	6.5
227.12427	3.0
227.14319	6.0
239.17877	3.2
241.15874	3.3
241.19479	2.0
255.21056	10.1
265.19513	22.6
283.20517	100.0
284.20737	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.7
53.03913	2.6
55.01862	4.1
55.05501	11.1
57.03167	0.9
57.03422	13.4
57.07061	1.0
59.11587	0.8
65.03915	1.1
67.05493	19.4
69.03394	2.0
69.07062	6.9
69.59757	5.9
71.04987	3.7
72.37035	0.6
73.02875	1.9
79.05479	34.3
80.05776	0.8
81.03416	4.0
81.07040	22.3
83.04958	4.9
83.08592	9.2
84.57925	0.6
86.58772	0.7
87.04440	1.2
91.05463	11.5
93.07029	42.7
94.07329	1.0
95.04953	10.0
95.08591	46.2
96.08899	1.3
97.02871	5.0
97.06503	4.5
97.10138	1.5
99.04444	4.6
103.05433	4.3
104.05766	1.6
105.07024	8.6
107.04932	11.0
107.08576	32.1
109.06464	2.5
109.10111	3.1
111.04386	2.5
111.08022	1.7
115.05407	1.2
117.07004	11.4
119.08549	11.3
121.02827	4.1
121.06498	6.0
121.09269	0.8
121.10125	15.6
125.05957	4.0
129.07018	1.2
130.07735	2.2
130.30313	0.7
131.04875	1.0
131.08531	1.5
133.10107	3.9
134.09625	1.4
135.08017	2.0
135.11667	54.5
136.12000	1.2
139.07468	1.9
142.90210	0.7
143.08519	1.7
145.06499	1.1
145.10095	30.9
153.12675	1.5
155.08475	1.2
163.11156	73.5
164.11479	1.8
165.39484	0.6
168.36020	0.7
173.09604	2.6
181.12196	18.5
191.10641	0.8
209.11635	1.9
211.08447	1.0
212.09389	1.0
227.12741	100.0
228.13098	3.1
283.10876	4.8
283.15320	28.9
283.20728	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	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01856	5.2
55.05499	12.5
57.03428	12.1
57.07054	1.5
65.03908	1.1
67.05492	19.6
69.03394	2.4
69.07056	8.8
69.98102	1.4
69.98525	3.6
70.05587	0.7
71.04964	2.4
73.02895	1.9
79.05477	31.3
81.03383	3.6
81.07040	22.6
83.04971	5.3
83.08607	9.2
85.02891	1.8
91.05457	10.9
93.07026	39.2
94.07278	0.9
95.04945	9.2
95.08588	43.4
97.02881	5.5
97.06515	4.5
97.10156	1.3
98.21391	1.2
99.04432	5.0
103.05404	1.0
105.07011	7.5
107.04935	10.7
107.08575	29.5
108.08852	0.7
109.02823	0.9
109.06487	2.4
109.10111	3.7
111.04402	2.9
111.08051	0.9
113.05974	0.8
117.06997	11.6
119.08551	12.1
121.02853	9.6
121.06486	6.2
121.10123	13.8
123.08041	0.7
125.05962	2.9
129.06981	1.1
130.07765	2.6
131.08563	1.4
133.10088	2.7
135.08028	2.5
135.11668	50.5
139.03954	1.0
139.07518	2.0
143.08510	1.0
145.06442	1.2
145.10095	32.0
153.12704	2.1
163.11153	73.7
173.09605	2.1
181.12187	17.0
182.12495	0.9
191.10573	0.8
209.11636	1.6
227.12738	100.0
228.13078	2.4
252.10884	0.7
282.82901	0.8
283.09958	1.3
283.15332	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41508	0.9
53.03923	2.7
55.01859	7.1
55.05272	1.2
55.05502	13.9
57.03426	16.0
57.07056	2.0
58.65193	0.8
65.03922	2.2
67.05493	24.9
67.18477	0.7
69.03412	3.5
69.07054	9.8
70.06586	2.0
71.04979	4.2
71.23379	1.9
73.02905	1.6
77.03925	0.8
79.05019	1.8
79.05479	35.7
81.03401	4.9
81.07040	28.0
81.07449	0.4
81.07533	0.9
83.04955	6.9
83.08598	9.6
83.60904	0.7
85.02892	1.1
85.06532	0.8
91.05461	12.8
93.07027	44.7
95.04957	10.5
95.08588	46.6
96.73927	0.9
97.02880	6.5
97.06501	6.1
97.10123	1.7
99.04439	5.7
103.05453	1.1
105.07014	9.7
107.04939	11.8
107.08572	31.1
109.02850	1.2
109.06483	4.2
109.10147	4.2
111.04415	3.0
111.08059	1.5
113.05993	1.3
115.05446	1.1
117.06994	14.4
119.08561	14.2
121.02853	8.8
121.06485	7.5
121.10125	14.3
123.08050	1.0
125.05969	3.9
129.06978	1.3
130.07764	2.5
131.04887	1.2
131.08522	2.8
133.10106	3.7
135.08026	2.9
135.11671	51.6
139.07516	1.9
145.06441	2.0
145.10101	34.5
147.08072	0.9
149.09587	1.7
153.12683	1.2
155.08472	1.3
163.11154	78.1
173.09590	3.3
181.12192	16.6
191.10617	1.5
194.07230	0.9
209.11745	2.6
227.12738	100.0
228.13063	2.0
265.10574	0.9
283.06134	1.9
283.09656	3.8
283.15359	23.1
283.20343	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80612	3.2
55.05502	17.6
57.03435	16.1
57.07076	3.4
67.05493	27.8
68.96292	2.7
69.07046	14.6
71.71534	4.9
79.05474	32.5
81.07034	29.0
83.04963	9.2
83.08595	10.4
86.77892	3.3
89.06001	4.8
91.05459	13.3
93.07029	48.3
95.04935	10.4
95.08018	3.5
95.08591	47.3
97.02871	6.1
97.06495	4.0
99.04402	4.2
105.07013	14.7
107.04933	11.2
107.08572	34.1
109.10101	7.1
109.16400	3.7
111.04402	4.6
117.06987	11.0
119.08547	18.6
121.06480	8.8
121.10136	18.8
135.08069	4.3
135.11678	49.0
143.08493	3.2
145.10091	32.4
147.56509	3.4
155.08437	5.2
163.11168	71.2
181.12144	15.5
219.97427	3.6
223.08173	3.3
227.12743	100.0
247.59749	3.5
283.06177	4.3
283.15390	22.5
283.20508	9.7
297.95053	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	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80612	3.2
55.05502	17.6
57.03435	16.1
57.07076	3.4
67.05493	27.8
68.96292	2.7
69.07046	14.6
71.71534	4.9
79.05474	32.5
81.07034	29.0
83.04963	9.2
83.08595	10.4
86.77892	3.3
89.06001	4.8
91.05459	13.3
93.07029	48.3
95.04935	10.4
95.08018	3.5
95.08591	47.3
97.02871	6.1
97.06495	4.0
99.04402	4.2
105.07013	14.7
107.04933	11.2
107.08572	34.1
109.10101	7.1
109.16400	3.7
111.04402	4.6
117.06987	11.0
119.08547	18.6
121.06480	8.8
121.10136	18.8
135.08069	4.3
135.11678	49.0
143.08493	3.2
145.10091	32.4
147.56509	3.4
155.08437	5.2
163.11168	71.2
181.12144	15.5
219.97427	3.6
223.08173	3.3
227.12743	100.0
247.59749	3.5
283.06177	4.3
283.15390	22.5
283.20508	9.7
297.95053	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01860	5.1
55.05502	14.6
57.03165	0.8
57.03427	13.5
57.07055	1.4
59.04983	0.9
65.03918	1.3
67.05493	21.6
69.03413	3.0
69.07057	9.6
70.69950	1.4
70.70313	1.5
71.04967	3.7
73.02891	1.8
79.05481	33.0
81.03416	4.7
81.07043	23.6
83.04968	6.2
83.08612	9.3
85.02888	0.9
85.06509	1.0
91.05459	11.9
93.03403	1.0
93.07029	47.0
94.07342	0.7
95.04955	10.4
95.08591	46.6
97.02877	6.4
97.06502	5.3
97.10163	1.0
98.97575	0.6
99.04451	4.5
100.11221	1.4
103.05457	1.2
103.58188	0.7
105.07012	10.2
107.04936	11.6
107.08575	35.4
109.02893	0.6
109.06487	2.5
109.10160	3.3
111.04425	3.1
111.08042	2.1
112.94672	0.7
117.07007	12.8
119.08557	10.7
119.09389	0.9
121.02854	12.5
121.06493	7.6
121.10130	14.2
125.05961	4.0
129.06960	1.2
130.07751	3.0
131.08488	1.6
133.10106	3.1
135.08046	4.3
135.11674	56.4
136.12036	1.0
139.03888	0.7
139.07518	1.9
141.61668	0.8
143.08493	0.7
145.06479	0.9
145.10106	34.4
146.10489	0.8
149.09682	0.6
153.12717	1.5
155.08501	1.2
163.11157	72.9
164.11526	1.4
173.09612	1.8
181.12206	16.5
191.10693	1.1
209.11743	2.3
222.08992	0.7
223.07516	0.9
227.12746	100.0
228.13104	2.0
242.16562	0.7
283.05829	1.2
283.10077	1.5
283.15326	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	282.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
56.05014	0.5
57.03426	0.8
67.05489	3.0
69.03436	0.5
69.07036	0.5
69.12617	0.3
70.06573	0.7
71.45910	0.8
72.08144	1.0
79.05472	3.0
80.04990	2.0
81.03407	1.0
81.07036	3.6
82.06565	0.5
83.04963	0.9
83.08614	0.9
84.04532	0.7
84.08099	0.5
85.02898	0.9
86.06040	1.1
86.09694	0.4
87.04451	16.0
91.05467	1.3
93.07019	4.0
94.06559	0.5
94.87006	0.3
95.04957	0.8
95.08580	1.9
96.08103	0.9
97.02888	1.2
97.06491	0.6
98.06065	1.9
99.08022	0.4
102.74155	0.3
105.07017	0.6
107.04954	2.1
107.08576	2.2
108.08101	2.0
109.08912	0.6
109.10148	0.8
110.07212	0.4
110.09686	1.6
111.04414	1.7
117.06971	0.5
119.08525	0.9
120.08078	0.6
121.02816	1.6
121.10147	0.9
122.09644	2.2
123.10418	1.0
123.11695	0.9
124.11235	0.9
131.08531	0.5
134.09605	0.5
135.11676	3.4
136.07571	1.1
136.11197	0.9
137.05997	0.5
137.13206	0.5
145.10068	1.0
150.12746	3.2
151.13472	0.4
152.14317	14.5
153.14615	0.4
156.13776	0.5
162.05472	0.5
163.11180	0.9
166.08595	3.3
170.11600	0.4
180.10188	0.7
181.10919	0.6
184.09694	1.4
184.13348	1.2
193.03067	1.9
193.06917	0.3
194.11710	2.3
195.12428	0.6
196.13275	0.8
208.13292	3.7
209.09898	0.6
209.11703	5.5
209.14000	1.7
220.13441	0.4
227.12749	0.4
236.16385	0.5
238.17975	100.0
239.18335	3.2
240.19514	1.0
265.10693	0.4
282.20575	72.4
283.15417	1.7
283.20847	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	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02370	1.0
53.03934	5.8
55.01867	4.4
55.05503	32.3
57.03427	33.4
57.07071	1.6
59.05010	0.8
65.03932	5.2
67.05494	91.2
68.05821	0.8
69.03415	1.9
69.07057	17.2
71.04981	2.9
71.70842	0.7
73.06546	2.2
75.77451	0.5
76.05543	0.4
77.03925	1.2
79.05481	100.0
80.05830	0.8
81.03407	10.8
81.07043	62.6
82.07418	0.8
83.04966	33.3
83.08600	9.0
85.02908	0.9
85.06523	4.1
91.05465	67.2
91.15028	0.5
92.05818	0.9
93.07030	72.8
95.04954	29.4
95.08589	39.6
97.02879	1.0
97.06514	5.5
97.10139	5.8
99.08092	1.4
101.05990	0.5
103.05457	1.5
105.04511	1.9
105.07013	49.3
106.07374	0.9
107.04945	5.4
107.08580	18.5
109.06502	8.2
109.10138	7.0
111.08067	2.1
115.05432	1.5
117.07002	10.8
119.08563	31.6
121.06469	3.5
121.10123	5.5
123.08046	10.0
123.08878	0.7
123.11686	0.7
125.05986	0.5
125.09595	1.0
127.07536	1.9
128.06210	3.7
129.06982	18.1
130.07713	0.6
131.08585	3.3
133.06454	1.8
133.10100	12.9
135.08044	1.2
135.11668	3.2
137.09599	0.8
139.07610	0.6
141.06926	1.0
141.09058	0.9
143.08543	8.8
145.10106	12.2
147.08023	2.8
147.11664	39.4
149.02327	1.8
151.11169	0.6
156.09383	0.7
159.11685	1.4
161.09584	5.7
161.13222	13.0
163.11163	1.7
165.09068	0.8
169.10185	0.9
171.11664	25.9
172.12054	0.6
179.14296	1.3
189.12721	10.4
207.13771	10.6
225.14777	1.3
281.10242	1.1
281.17413	29.6
282.17834	0.7
299.06097	1.2
300.06693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.247
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.29670	7.1
55.05502	50.0
56.36165	8.5
57.07056	33.6
67.05499	48.3
68.74844	7.5
69.07049	100.0
71.08601	20.8
71.70323	11.7
79.05473	19.5
81.07036	76.0
83.08611	56.5
91.05443	23.7
93.07027	34.1
95.08572	66.0
97.06493	15.3
97.10159	48.6
97.67693	7.4
105.07015	22.8
107.08553	29.7
109.10112	39.7
111.11699	21.9
119.08544	19.3
121.10104	23.6
123.08079	8.3
123.11647	23.8
133.10097	19.1
135.11653	18.5
137.13242	13.3
147.11661	15.6
149.13217	11.5
161.13223	20.2
163.14818	15.0
165.16385	9.1
175.14796	14.0
178.04118	9.1
221.22639	9.6
243.63689	7.7
244.31972	7.6
245.22505	41.6
263.23682	29.6
281.15103	18.5
281.18860	31.2
282.27911	11.5
299.06393	11.0
301.90912	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	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03936	9.1
53.07593	1.2
55.01862	5.1
55.05502	35.2
57.03157	2.3
57.03425	32.1
64.77892	1.5
65.03923	5.4
67.05493	93.5
69.03439	1.9
69.07055	14.7
71.04974	5.3
71.15839	3.9
73.06528	4.1
79.05479	100.0
79.73019	1.2
81.03403	18.3
81.07039	65.6
83.04967	34.3
83.08618	7.6
85.06494	2.6
91.05463	69.9
91.50725	1.3
93.07031	73.8
94.07366	1.8
95.04951	29.1
95.08583	35.2
97.06490	6.8
97.10165	5.5
98.81454	1.6
103.05476	1.6
105.04492	2.3
105.07006	48.4
107.04925	7.7
107.07915	1.7
107.08576	20.5
109.06488	6.4
109.10143	6.6
111.08060	2.4
117.07007	10.6
118.18241	1.3
119.08562	31.4
121.06461	3.2
121.10123	5.3
123.08066	7.7
127.07554	2.1
128.06186	4.1
129.06960	15.9
131.08546	2.9
133.10112	13.4
135.11644	3.1
143.08556	10.4
145.10132	10.0
147.08026	3.0
147.10577	2.7
147.11665	39.4
150.54898	1.4
156.09288	1.6
159.11630	1.6
161.09575	4.7
161.13208	15.8
171.11661	26.7
174.96750	1.6
189.12697	10.8
207.13702	10.6
209.04181	1.4
255.61935	1.3
258.79129	1.3
281.17410	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	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
54.24812	1.3
55.01863	5.2
55.05503	34.8
57.03159	2.2
57.03428	33.3
58.52779	1.2
58.99752	1.3
65.03929	5.0
67.05495	90.5
69.03436	2.3
69.07066	18.5
71.04988	5.2
71.28369	1.6
71.28692	1.5
73.06528	2.7
79.05483	100.0
81.03409	15.6
81.07048	67.8
81.07539	2.3
83.04971	39.7
83.08616	9.2
84.40402	1.3
85.02895	2.1
85.06512	3.4
86.64414	1.3
87.04420	1.5
91.05469	80.7
92.05782	1.9
93.07032	73.3
95.04955	33.0
95.08591	46.7
97.02875	2.5
97.06529	9.6
97.10143	4.1
99.08086	1.8
103.05420	1.6
103.93147	1.4
105.04469	1.6
105.07015	48.6
107.04948	8.7
107.08584	22.7
108.25357	1.3
109.06503	6.1
109.10148	7.1
111.08073	2.2
113.00014	2.6
115.05457	3.5
117.07008	9.0
119.08567	34.5
121.06491	3.0
121.10090	6.8
123.08050	10.2
127.07523	2.2
128.06197	3.0
129.06984	19.8
131.08562	3.9
133.10120	16.5
135.08066	1.7
135.11681	4.9
143.08501	10.6
145.10106	11.5
147.08006	3.2
147.11668	38.4
150.02766	1.5
161.09599	6.3
161.13245	15.2
161.69957	1.5
163.11096	1.5
170.37061	1.5
171.11682	29.6
172.40775	1.3
189.12773	10.6
207.13757	13.7
281.17419	42.0
299.06326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.8
53.03940	6.3
55.01874	4.2
55.05502	34.1
57.03427	33.9
57.03714	1.5
57.07075	0.7
58.87914	0.6
65.03925	5.4
67.05493	86.3
69.03407	2.1
69.07053	14.8
71.04985	3.8
71.62371	1.3
73.06541	2.7
77.03919	0.9
79.05479	100.0
80.05823	1.1
81.03399	12.3
81.07043	64.6
83.04967	34.6
83.05476	1.1
83.08601	9.8
85.06557	3.4
91.05464	65.7
92.05798	1.0
93.07027	66.9
94.07323	0.7
95.04954	32.8
95.08590	39.9
97.06513	5.4
97.10158	5.5
103.05456	1.8
105.04513	2.6
105.07013	49.8
107.04958	4.7
107.08572	17.0
109.06494	9.5
109.10138	7.3
110.93304	0.8
111.08070	2.0
113.09615	1.0
115.05485	1.5
117.07006	11.5
119.08559	31.0
119.09412	1.7
120.08934	0.8
121.06490	4.1
121.10128	4.0
123.08062	8.4
125.09604	0.7
127.07522	1.4
128.06195	3.1
129.06990	19.8
129.07942	1.2
130.07884	1.1
131.08554	3.7
133.06474	1.7
133.10109	14.0
135.08057	1.2
135.11667	3.6
137.09610	1.1
138.81703	0.7
141.06952	1.0
141.09088	1.0
143.08551	10.2
145.10097	11.4
147.08022	3.9
147.11667	39.2
147.12854	1.9
151.11206	0.9
156.09340	1.4
159.11681	1.2
161.09634	5.4
161.13214	14.2
163.11195	1.4
171.11667	26.4
189.12712	9.2
190.93633	0.8
207.13747	9.8
250.30318	0.8
281.17447	26.3
282.17651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	11.3
53.76618	2.1
55.01853	3.1
55.05503	34.2
57.03427	30.3
57.07075	1.8
65.03927	2.5
67.05495	87.6
69.07063	17.5
69.54769	17.9
71.04960	3.2
73.06538	1.9
73.26399	1.8
79.05481	100.0
81.03401	16.8
81.07046	69.2
83.04970	37.7
83.08605	8.0
85.06528	2.0
91.05466	71.1
93.07030	74.6
95.04955	31.6
95.08588	41.9
97.06510	7.2
97.10144	5.8
99.08089	2.3
105.07016	47.9
105.07706	2.6
107.04965	10.0
107.08566	23.1
109.06498	8.7
109.10140	9.9
117.06983	11.0
119.08574	33.9
121.06445	3.4
121.10146	5.4
123.08051	9.3
127.07525	2.5
128.06204	3.3
129.06987	18.1
130.07820	2.4
131.08536	3.1
133.10123	14.2
135.11681	3.1
143.08516	10.2
145.10112	11.7
147.08002	2.1
147.11671	43.7
156.09302	2.2
161.09590	4.7
161.13223	17.0
161.76233	1.7
171.11674	31.9
189.12740	10.6
207.13777	15.8
208.66586	2.1
264.83008	2.6
281.17432	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02364	2.6
53.03941	10.2
55.01858	5.3
55.05503	35.5
57.03432	31.4
58.37851	1.6
64.73000	1.8
65.03917	4.8
67.05497	85.5
69.07066	14.4
70.04794	7.6
71.04970	4.8
73.06524	2.2
77.03910	1.6
79.05482	100.0
81.03423	13.5
81.07046	61.8
83.04509	2.8
83.04971	35.9
83.08617	9.4
84.05288	1.5
85.06528	3.9
91.05468	73.6
93.07030	67.5
95.04956	29.3
95.08591	39.3
95.96060	1.6
97.02863	1.5
97.06514	6.0
97.10139	4.1
99.08054	2.9
105.07018	50.2
107.04942	8.9
107.08571	19.5
109.06487	6.3
109.10133	8.0
117.07006	9.8
119.08565	28.8
121.06491	3.5
121.10101	2.8
123.08040	10.1
128.06177	2.7
129.06996	20.8
129.83418	1.6
131.08528	3.8
133.10094	14.5
135.11676	3.5
143.08562	9.0
145.10109	12.2
147.08041	3.4
147.11668	36.3
161.09605	2.9
161.13222	15.4
171.11670	27.6
189.12733	7.9
207.13782	11.0
281.17438	40.7
281.20551	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	279.2312
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03937	1.3
55.01851	0.7
55.05500	9.3
57.03421	1.4
57.07062	3.3
65.03934	3.3
67.05492	99.9
68.05830	1.2
68.23825	0.3
68.69317	0.4
69.07056	10.1
71.04975	1.7
71.08656	0.6
71.71611	0.6
79.05475	13.6
81.07042	100.0
82.07356	0.7
83.04976	1.5
83.08606	5.3
85.06535	1.3
91.05450	4.7
93.07030	13.4
95.04980	1.1
95.08588	80.7
96.08948	0.9
96.87350	0.4
97.06512	1.2
97.10146	3.1
99.08086	0.7
105.07005	4.0
107.08577	8.8
109.06500	1.1
109.10136	46.7
110.10513	0.7
111.08109	0.6
111.11686	0.7
113.05980	0.4
117.06992	1.3
119.08553	3.4
120.08902	0.4
121.02848	0.6
121.10124	9.1
123.08048	1.3
123.11685	24.1
131.08533	3.8
133.10078	2.7
135.08020	0.9
135.11671	5.0
137.09601	1.2
137.13220	9.2
141.09120	0.6
145.10095	2.8
147.11650	3.3
147.98926	0.4
149.02312	9.3
149.09592	1.4
149.13216	2.9
151.11192	1.2
151.14789	3.2
153.00497	0.6
153.09009	0.6
153.12682	0.4
158.03275	0.7
159.11632	2.5
161.13199	2.2
163.11148	1.8
163.14856	2.0
165.12738	1.2
165.16302	0.9
167.03477	0.4
167.10683	1.1
169.12192	0.5
173.13205	2.9
175.14740	0.5
177.12717	2.0
177.16379	1.2
179.14278	1.0
181.12177	2.2
187.14774	3.0
191.14334	1.2
194.11151	0.4
195.13728	2.9
201.16313	0.8
205.15829	1.2
209.15361	2.6
217.47948	0.4
219.17502	0.4
219.21040	1.0
223.16907	2.5
237.18517	0.7
243.21019	3.0
261.22055	4.6
264.09451	0.4
279.09338	0.8
279.19775	1.5
279.23135	34.3
280.23563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	0.7
55.05501	8.3
57.07069	2.2
59.25746	0.6
63.23531	0.6
65.03930	2.4
67.05495	100.0
68.05819	1.1
69.07054	7.0
70.02570	1.2
70.02984	2.3
79.05482	12.2
81.07044	99.1
82.07381	1.3
83.08595	3.6
85.06511	1.5
91.05458	2.3
93.07031	8.4
95.08589	69.3
96.08936	1.2
97.06522	1.1
97.10164	2.1
99.08087	0.6
105.07015	3.0
107.08574	5.5
109.10139	38.7
110.10440	0.6
114.43389	0.6
119.08588	2.4
121.10119	4.3
123.08116	1.1
123.11692	24.2
131.08554	1.8
133.10129	2.1
135.11656	3.1
137.09581	0.9
137.13225	8.9
141.09099	0.7
145.10144	1.9
147.11624	2.3
147.13600	0.6
149.02339	6.2
149.09619	1.2
149.13266	1.8
151.11176	0.8
151.14803	2.3
159.11646	1.0
161.13289	1.3
163.11192	1.0
163.14796	1.3
167.10652	0.9
173.13228	3.4
177.12660	1.0
181.12222	0.6
187.14758	1.9
191.14291	0.6
195.13835	1.4
201.16370	0.7
209.15401	1.8
223.16914	1.9
237.18484	0.8
243.21046	1.5
261.22122	2.5
279.23154	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	279.2314
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
53.03920	2.9
55.01849	7.5
55.05502	20.2
57.03414	3.9
57.07069	7.8
59.17247	1.7
62.43839	1.6
65.03926	3.2
67.05492	84.0
69.06734	2.3
69.07056	23.7
69.38197	2.3
69.38531	19.6
71.04966	4.1
71.08617	90.9
79.05484	30.6
81.07044	100.0
83.04951	4.8
83.08613	16.0
85.06519	3.9
85.10159	2.2
91.05455	28.0
93.07032	27.7
93.47775	1.7
95.04942	3.5
95.08590	70.2
95.09200	3.7
97.06516	11.7
97.10146	8.8
99.08076	84.4
105.07014	21.8
107.08554	18.7
109.06497	3.8
109.10146	19.3
111.08049	5.2
113.09674	2.4
117.06988	5.8
119.08553	16.1
121.10121	16.5
123.08047	4.5
123.11687	12.8
125.09587	3.6
127.11188	5.5
131.08536	10.3
133.10106	4.9
135.07973	1.9
135.11658	15.6
137.09583	2.1
137.13235	8.2
141.06975	1.9
141.12813	2.5
145.10094	8.4
147.11650	66.5
149.02313	31.9
149.09560	3.6
149.13214	5.5
151.11156	3.5
151.14793	2.1
153.12715	12.7
159.11630	4.5
161.13281	4.0
163.11182	10.5
163.14812	12.8
165.12708	23.4
167.14279	7.1
171.87877	1.4
173.13245	12.0
177.12796	1.8
177.16310	2.0
179.14400	1.6
181.12085	2.1
181.15829	9.3
187.14865	3.3
191.14270	1.8
195.13803	3.3
209.15271	3.3
233.22639	4.1
243.21062	16.2
261.22116	23.8
279.20181	3.4
279.23145	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.05263	0.8
55.05502	7.0
56.80236	0.5
57.07065	1.8
62.49041	0.4
65.03927	2.4
67.05492	98.4
68.05814	0.8
69.07056	8.1
69.36844	6.2
71.04973	1.4
79.05479	12.8
81.07042	100.0
82.07366	1.4
83.04964	0.9
83.08601	4.5
85.06532	1.5
91.05475	3.8
93.07034	9.9
95.04966	1.0
95.08590	79.3
96.08929	0.5
97.06515	1.5
97.10139	1.9
105.07024	3.0
107.08571	6.6
109.06522	0.8
109.10139	25.6
111.08023	1.2
111.11690	1.1
111.47929	0.5
117.07006	1.7
119.08557	3.4
121.06509	0.9
121.10128	6.1
123.08063	1.1
123.11681	15.5
127.07559	0.6
131.08540	5.6
133.10094	2.4
135.08037	0.9
135.11668	5.9
136.37637	0.5
137.09634	1.0
137.13234	11.1
141.09088	0.8
145.10094	3.2
147.11671	1.8
149.02327	1.8
149.09589	1.8
149.13242	3.9
151.14812	3.1
153.09128	0.7
159.11655	2.8
161.13272	1.3
163.11148	1.5
163.14821	2.0
165.16359	1.1
167.10681	0.9
173.13226	5.7
175.14896	0.5
175.42627	0.5
177.12680	1.7
177.16327	0.7
181.12239	1.5
187.14781	2.4
191.14325	1.6
195.13806	2.0
205.15878	0.8
209.15370	2.7
219.21082	0.6
223.16826	2.4
239.69870	0.6
243.21037	1.6
261.22128	1.8
279.23148	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	279.2313
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03934	2.0
55.01849	0.7
55.05498	10.1
57.07062	6.9
65.03920	4.1
67.05489	96.3
68.05833	1.4
69.07052	9.8
71.04969	1.2
71.08361	1.0
71.08702	1.3
79.05473	13.8
81.03416	1.0
81.07037	100.0
82.07386	1.1
83.04968	2.3
83.08593	5.9
85.06517	2.1
91.05457	5.5
91.93710	0.7
93.07025	15.3
95.04959	1.7
95.08584	75.0
96.08911	0.6
97.06519	2.1
97.10131	3.0
99.08056	1.3
105.07005	4.4
107.08569	8.9
109.06496	2.2
109.10128	33.7
111.08036	1.2
111.11695	1.6
117.06981	1.9
119.08551	3.6
121.02827	2.2
121.10115	9.0
123.08060	1.7
123.11677	17.7
127.07520	1.0
129.06950	0.7
131.08546	6.4
133.10081	3.3
135.08044	1.8
135.11664	6.8
137.09639	2.0
137.13213	9.1
141.09079	0.8
145.10089	3.9
147.11671	2.4
149.02310	38.2
149.09607	2.1
149.13199	4.1
150.02669	0.9
151.14787	3.8
159.11668	2.7
161.13245	2.0
163.11162	2.8
163.14809	1.8
165.12671	1.0
165.16359	1.4
167.03395	1.5
167.10666	0.9
173.13254	3.0
175.14714	0.5
177.12752	2.6
177.16360	1.7
179.64954	0.6
181.12248	2.6
187.14865	2.8
191.14296	1.8
195.13725	3.5
205.15813	1.3
209.15324	3.1
219.05655	1.4
219.21040	0.8
223.16885	2.4
243.21048	2.5
261.22092	3.0
279.09213	1.6
279.16031	1.4
279.19809	1.4
279.23123	29.2
280.23386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.17
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07055	2.4
58.55571	0.4
67.05493	0.7
71.16931	1.0
79.05479	0.5
81.07053	0.8
84.08122	0.5
86.09693	100.0
87.10036	0.9
93.07025	0.8
95.08577	1.1
103.05450	2.0
104.40973	0.4
109.10138	0.9
120.08087	35.8
121.02843	0.9
121.08419	0.6
145.06499	0.5
149.02319	19.1
149.05876	0.5
150.02687	0.6
166.08612	8.7
233.16510	0.9
243.56610	0.4
251.10753	0.5
279.09985	0.6
279.17078	3.0
279.23102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.01874	0.7
55.05503	9.2
57.03435	1.3
57.07060	6.5
65.03944	3.0
67.05493	100.0
68.05827	1.3
69.07055	11.4
70.19720	0.9
70.20134	2.4
70.63602	0.7
71.04975	1.8
79.05482	12.2
81.07043	98.2
82.07380	1.5
83.04969	1.8
83.08615	6.5
85.06520	1.6
85.10171	7.1
91.05456	5.8
93.07030	14.2
94.81670	0.6
95.04961	2.0
95.08591	80.2
96.08951	1.5
97.06496	1.5
97.10147	3.0
105.07020	5.0
107.08572	9.8
109.06520	0.8
109.10136	47.8
111.08061	0.9
113.09637	8.7
117.07013	1.4
119.08575	4.0
119.76633	0.6
121.02882	1.4
121.06472	0.7
121.10123	8.3
123.08055	1.3
123.11687	25.2
125.09600	0.8
127.07516	0.8
131.08539	4.8
133.10118	5.8
135.08044	1.8
135.11668	5.3
135.77606	0.8
137.09578	1.1
137.13226	9.0
145.10132	4.0
147.11636	3.6
149.02321	16.1
149.09601	1.9
149.13225	5.5
151.11139	2.2
151.14793	2.8
153.09062	1.0
153.12717	0.9
159.11690	2.7
161.13254	2.1
163.11156	1.8
163.14803	1.8
165.12744	0.7
165.16258	0.7
167.10641	1.1
167.14278	1.8
173.13255	3.6
177.12679	1.7
179.14279	1.0
181.12198	2.3
187.14813	2.4
191.14275	1.0
195.13725	2.3
205.15787	1.3
209.15341	2.3
219.21109	1.5
223.16876	2.6
243.21043	3.7
249.52867	0.6
261.22180	5.3
279.09045	0.7
279.16455	1.2
279.19705	3.0
279.23135	38.4
280.23489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.4
53.58081	0.4
56.05026	0.4
57.07064	2.9
65.03928	1.0
67.05486	0.8
69.07057	12.1
70.06572	0.7
71.69329	0.5
72.08130	0.4
74.33358	0.4
75.97544	0.4
77.36259	0.4
81.07048	0.7
82.31358	0.4
82.66145	0.4
82.98669	0.4
84.04490	0.4
84.08146	0.4
85.02908	0.6
86.09692	100.0
87.00729	0.5
87.10034	1.0
91.05471	2.9
93.07059	0.5
93.20378	0.4
95.04951	0.8
95.08624	0.5
97.02911	0.5
103.05439	0.4
109.10104	0.5
110.15850	0.4
120.08085	8.6
120.08749	0.3
121.02859	1.4
123.04382	0.8
145.10118	0.4
149.02315	23.7
153.01796	1.2
158.46899	0.5
165.01863	2.3
166.08607	6.3
167.03395	0.6
183.02905	1.3
203.03355	0.6
205.04910	0.7
219.02876	0.6
227.71809	0.4
231.02974	0.6
249.03897	0.8
261.03989	0.7
279.05038	1.6
279.16971	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	277.2156
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03936	5.3
55.01851	2.2
55.05501	17.4
56.00257	1.6
57.07061	3.7
58.01810	1.9
63.57211	1.7
64.58790	1.7
65.03957	2.1
67.05495	48.6
69.07053	18.9
70.21081	9.0
71.04961	3.7
71.05625	1.5
71.08621	17.4
77.49728	1.8
78.06915	2.2
79.05481	60.9
81.03386	4.5
81.06608	3.0
81.07047	48.4
82.07378	2.1
83.04951	4.0
83.08610	9.5
85.06539	2.3
91.05466	30.8
93.07029	100.0
94.07365	2.1
95.04942	12.4
95.08590	38.8
97.06510	4.0
97.10139	3.6
99.08076	14.0
105.07012	20.0
107.04917	4.1
107.08577	55.3
109.06506	5.8
109.10159	11.9
113.09610	2.3
117.07010	2.5
119.08572	14.5
121.10118	41.5
123.08051	2.2
123.11729	2.0
131.08560	4.2
133.10132	8.4
135.08003	2.3
135.11674	50.1
141.09096	2.0
143.08514	1.9
145.10107	3.4
147.11658	7.1
149.13242	16.1
151.11165	8.5
159.11615	1.9
161.13255	6.7
163.11168	4.2
163.14832	4.9
167.10654	1.9
171.11668	2.5
175.14764	2.6
177.12741	3.9
179.14311	19.9
185.13139	2.4
186.15776	1.8
209.15245	2.2
221.15433	2.9
235.16844	2.2
241.19597	2.2
259.20523	7.1
277.21585	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03910	5.3
55.01855	2.9
55.05264	2.3
55.05500	22.2
57.06826	1.7
57.07064	18.5
58.83607	1.9
62.85362	1.9
67.05494	36.8
69.03416	2.4
69.07059	21.7
70.24244	8.1
71.04960	4.9
71.08617	3.4
79.05478	65.5
81.03379	3.1
81.07045	47.9
82.88743	1.7
83.04957	4.1
83.08607	10.8
83.75566	1.9
85.06517	3.6
85.10173	17.8
91.04921	3.2
91.05465	47.9
93.07027	100.0
95.04942	14.7
95.08591	33.0
97.06487	6.6
97.10146	3.4
105.07014	37.3
107.04938	6.8
107.08576	47.8
109.06450	6.4
109.10145	10.2
111.08057	3.4
113.09624	22.7
117.06972	5.3
119.08562	22.4
121.10131	29.0
123.08034	6.8
123.11652	3.1
124.73343	1.8
127.07516	3.0
129.06960	6.4
131.08516	10.5
133.06509	2.0
133.10114	21.1
135.07982	2.3
135.11659	18.4
137.05978	2.1
143.08530	5.5
145.10075	6.1
147.08017	4.3
147.11661	15.9
149.09572	14.5
149.13235	14.5
151.11021	2.7
157.10078	6.1
159.11620	2.4
161.09610	3.3
161.13220	14.7
163.11089	4.1
163.14746	7.8
165.12733	15.1
171.11673	7.3
173.13219	3.0
175.11122	6.3
175.14755	7.7
177.12737	2.9
177.16418	2.3
179.10625	3.4
179.14255	5.5
181.12231	3.0
185.13237	3.9
189.12717	2.3
193.12207	3.7
193.15807	3.7
203.14250	2.6
207.13721	6.6
217.19406	3.8
221.15341	5.9
233.34793	2.0
235.16902	14.7
241.19566	4.8
259.20520	7.5
277.18082	10.0
277.21548	83.0
278.21735	2.3
294.43552	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	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	6.0
55.01865	86.4
55.05505	46.7
56.60790	2.1
57.03422	2.7
57.07070	10.1
59.92444	2.1
63.18521	1.8
67.05496	61.9
69.07063	24.2
71.04988	5.8
71.08613	6.9
71.92524	1.9
79.05481	49.2
81.03385	4.5
81.07045	71.5
82.43056	2.1
83.04968	13.4
83.08609	32.8
85.10160	6.8
89.71944	2.2
91.05469	44.5
93.07030	68.2
95.04951	20.2
95.08591	42.7
97.06507	16.2
97.10153	3.8
98.20699	6.5
99.08081	3.3
99.70745	2.2
105.07027	26.4
107.04942	6.4
107.08571	35.5
109.06491	8.7
109.10127	21.9
111.08067	82.5
111.11617	2.1
113.09621	6.2
117.07007	5.5
119.08585	20.8
121.06502	2.5
121.10136	20.9
122.81258	2.0
123.08043	7.2
123.11670	7.7
125.87833	2.0
128.38144	2.5
129.07013	4.0
131.08571	9.6
133.10112	29.2
135.11668	17.2
137.09586	4.8
137.13165	2.2
139.11162	5.2
143.08498	2.2
145.10114	4.1
147.11665	13.7
149.08504	2.1
149.09630	5.6
149.13200	14.2
149.71140	2.2
151.11145	12.7
153.12752	5.6
157.10152	5.0
159.11705	2.4
161.09508	2.5
161.13249	9.3
163.11130	4.0
163.14795	6.8
165.12718	13.1
171.11630	4.1
173.13295	2.9
175.11200	3.2
175.14789	10.1
177.12798	2.4
179.10504	2.8
179.14183	4.2
185.13362	2.1
189.12666	2.5
193.12256	3.6
193.15799	2.5
199.14784	2.4
207.13712	4.8
217.19452	2.2
221.15454	4.2
225.34705	2.1
229.40370	2.4
231.21133	6.7
235.16911	5.5
241.19373	4.1
249.22173	13.9
259.20627	10.0
277.18555	3.6
277.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02373	1.4
53.03931	5.2
55.01857	2.5
55.05501	17.9
57.03404	2.3
57.07053	3.6
64.91292	1.1
65.03928	2.1
67.05492	42.5
67.18768	1.2
67.24814	1.1
69.07052	15.0
70.12635	5.2
71.04964	2.3
71.08253	1.7
71.08617	23.1
77.03913	1.9
79.05479	65.4
81.03386	3.6
81.07041	56.2
83.04959	5.5
83.08600	8.1
85.06520	3.1
91.04922	2.2
91.05462	28.2
93.07028	100.0
95.04961	10.0
95.08591	35.1
97.06519	6.1
97.10143	3.0
98.21339	2.1
99.08083	16.9
99.27349	1.1
105.04462	1.3
105.07013	18.2
107.04929	3.3
107.08572	54.1
109.06486	3.9
109.10127	12.1
111.08059	1.2
111.18383	1.2
113.09586	1.3
117.06994	2.4
119.08550	15.5
121.10117	42.8
123.11701	2.0
129.06964	2.0
131.08530	4.6
133.10091	10.4
135.11673	55.7
137.09557	3.2
141.08983	1.8
141.46295	1.0
143.08545	3.1
145.10112	4.0
147.11685	6.9
149.09558	2.1
149.13229	16.5
151.05937	1.1
151.11174	9.9
153.12683	1.7
159.11690	3.0
161.09587	1.3
161.13205	8.3
163.11134	4.6
163.14780	4.6
167.10652	2.9
171.11659	2.7
173.13274	2.2
175.14722	2.2
177.12746	2.1
179.14279	24.5
181.12175	1.4
182.34573	1.2
185.13216	1.6
189.12811	1.8
195.13782	2.7
199.14842	2.1
203.14311	1.2
206.58307	1.5
207.13690	2.3
221.15338	1.8
235.16849	4.3
241.19455	2.1
248.26636	1.0
259.20523	5.6
277.21567	76.4
278.21744	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	277.2157
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03951	6.8
55.05281	1.2
55.05507	18.3
55.70047	1.3
55.98585	1.3
57.07046	3.0
65.03910	2.9
67.05137	2.0
67.05492	38.8
69.07059	15.9
69.35506	14.5
71.04963	3.1
79.05478	79.5
81.07044	38.0
81.07495	1.0
83.04975	1.7
83.08601	8.8
91.04915	2.6
91.05460	29.6
93.07028	100.0
94.96301	1.1
95.04965	8.1
95.08597	25.3
97.06512	2.7
97.10135	4.3
105.07014	15.5
107.08576	47.5
109.06486	2.9
109.10130	14.0
117.06988	4.2
117.27775	1.4
119.08580	9.8
121.10122	40.7
123.11663	3.5
125.09746	1.3
128.38770	1.2
129.07016	1.3
131.08553	3.5
133.10107	11.4
135.11674	52.4
137.09595	1.7
143.08475	2.7
145.10100	3.1
147.11636	7.3
149.09584	2.8
149.13225	19.9
153.21999	1.1
159.11685	2.4
161.13264	4.1
161.70064	1.6
163.11124	1.7
163.14755	5.5
171.11684	2.6
173.13167	1.3
175.14798	2.5
185.13210	1.6
189.12671	1.4
195.13719	2.0
207.13826	1.7
213.16272	1.7
221.15279	2.7
235.16823	3.5
241.19524	1.7
259.20590	3.5
277.21579	57.4
278.21729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	5.9
55.01845	2.0
55.05503	14.9
57.07049	2.1
58.31735	1.1
67.05492	31.6
69.07054	14.8
71.04993	1.8
77.03926	1.6
79.05482	72.5
79.63972	1.2
81.06608	2.0
81.07043	32.6
83.04951	1.9
83.08607	7.5
85.06516	1.3
91.05466	26.3
93.07029	100.0
95.04955	9.4
95.08589	19.2
97.06487	2.2
97.10143	3.1
98.21438	4.4
103.75811	1.3
105.04468	2.7
105.07016	13.9
107.08575	48.6
109.06470	1.9
109.10116	10.7
115.91476	1.1
117.07014	3.6
119.08559	9.1
121.10123	41.0
123.08057	1.4
123.11697	2.7
129.06949	1.8
131.08551	2.5
133.10124	12.0
135.08018	1.6
135.11671	42.5
141.67079	1.2
143.08582	1.4
145.10085	3.1
147.11703	6.7
149.09595	1.7
149.13234	18.0
157.10078	1.5
159.11624	2.0
161.13213	4.8
163.14827	4.3
171.11636	2.6
173.13205	1.7
175.14807	3.3
185.13239	2.2
193.12173	1.8
221.15370	3.3
231.17372	1.3
235.16907	2.8
242.78702	1.1
259.20602	3.8
277.21591	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03922	2.8
55.01859	7.6
55.05504	18.4
56.96562	4.0
57.07049	3.2
61.46962	0.7
62.11253	0.7
65.03927	1.0
66.71916	0.7
67.05494	44.7
67.68651	0.8
69.03390	1.1
69.07055	18.5
70.56015	2.1
71.04957	2.7
71.06910	0.8
71.08605	1.0
77.03904	0.7
79.05482	64.0
80.05804	1.0
81.03412	1.0
81.07043	73.3
82.07366	1.7
83.04966	3.8
83.08610	9.3
85.06508	2.6
91.05467	28.4
92.05782	1.5
93.07028	94.2
94.07361	1.3
95.04956	6.6
95.08589	31.7
96.08941	1.0
97.06508	3.4
97.10136	4.5
98.97563	8.0
99.08048	1.1
99.97955	0.8
105.04523	1.6
105.06335	1.6
105.07011	22.7
107.04868	0.8
107.08575	54.0
109.06503	9.3
109.10144	15.0
111.04420	7.7
111.08051	2.4
111.11652	1.0
112.99074	1.7
114.31670	0.8
116.98618	4.5
117.06988	4.3
119.08557	18.2
121.06479	1.4
121.10123	51.4
122.10400	1.6
123.08037	2.3
123.11681	5.1
125.05962	3.1
125.09605	1.1
129.06972	3.0
131.00110	3.0
131.08519	7.4
133.10106	16.6
134.10416	1.4
134.99623	1.3
135.08014	3.3
135.11671	47.4
136.11980	1.1
137.05951	57.3
137.09570	1.8
137.13223	1.6
139.07584	1.1
143.08534	2.8
145.10121	5.7
147.08041	1.3
147.11665	13.5
149.01190	2.3
149.09595	3.6
149.13232	25.9
150.13611	1.1
151.07489	1.6
151.11133	1.7
153.09061	1.4
153.68347	0.8
157.10110	2.8
158.99608	2.5
159.11670	3.7
161.01204	0.9
161.09604	4.9
161.13214	6.2
163.11139	3.9
163.14801	11.8
165.09111	1.9
165.12778	1.5
167.10667	1.8
171.11700	4.2
173.13289	2.3
175.11189	4.6
175.14766	4.7
177.00679	3.5
177.12735	2.8
177.16377	2.2
179.10666	1.8
181.12195	2.4
185.01180	0.8
185.13248	3.3
187.11195	0.9
189.12677	2.7
193.12282	2.8
195.13795	3.2
199.14702	1.9
203.14250	1.9
203.17886	2.5
207.13768	5.0
213.16338	2.2
217.16096	0.8
217.19458	3.3
221.15318	5.3
231.17477	3.9
235.16856	3.9
241.19496	3.4
247.70308	0.8
249.18497	2.5
259.20694	5.3
277.21576	100.0
278.21829	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	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.97387	1.4
53.03924	5.4
55.01866	67.5
55.05505	43.4
57.03415	2.3
57.07047	6.5
65.03928	3.1
67.05142	3.0
67.05495	53.4
69.03409	2.8
69.07059	22.9
70.18243	8.5
71.04971	4.1
71.08607	7.5
71.88121	1.3
77.67475	1.5
79.05484	44.2
81.03414	2.9
81.07043	58.4
83.04966	13.2
83.08609	23.6
85.06509	4.3
85.10158	5.7
91.04922	2.5
91.05465	38.3
93.07036	59.3
95.04954	15.0
95.08595	38.1
97.06522	13.1
97.10168	5.4
98.21324	2.0
99.08072	5.8
105.07014	25.4
107.04964	3.8
107.07903	2.8
107.08575	31.6
109.06508	10.0
109.10136	16.6
111.08070	64.2
113.09623	5.9
117.07001	5.0
119.08561	22.1
121.06466	2.5
121.10137	19.0
123.08043	5.7
123.11678	7.1
125.09578	2.3
129.06963	2.7
131.08548	3.9
133.10109	27.9
135.07945	2.1
135.11681	18.1
137.09615	3.4
137.13199	2.9
139.11128	3.2
143.08568	2.9
145.10106	4.0
146.54431	1.8
147.08041	1.8
147.11658	11.7
149.09581	5.0
149.13229	12.6
151.11180	10.4
153.12692	8.1
157.10165	3.9
159.11642	4.4
161.13269	12.7
163.11145	5.4
163.14793	3.8
165.12741	13.2
171.11688	4.8
173.13223	2.1
175.11153	3.7
175.14845	8.3
177.12662	1.5
179.10753	1.5
179.14287	6.1
185.13200	3.3
189.12735	3.4
189.16385	1.5
193.12195	4.2
193.15726	1.7
207.13794	4.1
209.15306	3.1
221.15331	3.8
231.21030	8.5
235.16965	2.6
241.19528	5.5
249.22101	9.9
259.20563	11.5
277.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0338
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
55.05486	0.3
55.58990	0.3
56.05015	0.5
57.03417	0.5
57.07076	0.3
58.99563	1.3
68.99780	3.5
69.59435	1.1
69.59858	1.8
76.02216	1.8
79.05471	1.0
81.03407	0.4
81.07043	2.1
84.04497	0.7
85.01129	0.4
86.00638	0.5
87.02681	0.6
87.40862	0.3
88.10313	0.3
89.39853	0.3
91.05477	0.7
98.09654	1.0
98.21428	0.5
99.08072	0.4
102.05506	0.7
107.01282	0.8
107.04977	0.3
111.00723	0.4
112.03956	0.4
113.04198	0.4
113.47816	0.3
116.01676	2.4
119.04918	0.6
130.06874	0.4
133.02859	0.4
137.02333	2.5
139.00238	1.0
144.01100	0.5
147.04410	0.9
156.08406	1.1
156.10139	1.1
157.02835	1.0
161.02344	0.4
162.02167	1.8
165.07043	0.3
175.03883	1.0
185.00795	1.0
185.02312	0.4
203.03372	19.8
204.03738	0.5
213.01584	0.4
216.06880	0.9
221.04265	0.6
231.02856	21.0
235.16887	0.7
241.01399	0.4
248.03003	0.6
249.03816	0.5
252.47813	0.3
259.02362	16.0
259.11063	5.3
260.02814	0.9
277.03387	100.0
278.03760	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	277.2156
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.11697	0.7
53.03937	4.1
55.01852	3.3
55.05504	16.5
55.26669	0.8
57.07048	3.7
58.03171	0.9
63.80741	0.8
65.03922	2.3
67.05138	1.7
67.05494	33.7
68.05814	1.2
69.07053	17.2
70.61469	3.3
71.04975	2.6
71.08612	1.7
73.06547	1.2
77.03905	1.4
79.05482	60.6
81.03416	1.2
81.07042	47.9
83.04952	2.8
83.08598	9.1
85.06531	1.7
91.05467	27.8
93.07029	86.9
95.04948	6.7
95.08590	36.2
97.06512	2.3
97.10148	2.8
99.08098	1.0
105.04460	0.9
105.07019	19.3
107.04963	1.2
107.08576	51.1
109.06495	4.6
109.10135	11.9
111.04430	2.0
111.08100	1.4
113.05945	0.8
117.06979	4.3
119.08556	16.4
121.06487	1.5
121.10125	44.5
123.08061	2.1
123.11677	4.4
124.71748	0.8
127.07529	1.0
128.06201	1.1
129.06987	2.9
131.08560	6.5
133.06522	1.1
133.10109	15.5
134.10504	0.9
135.08029	2.7
135.11678	43.0
137.05959	11.1
137.09651	1.1
137.13216	1.6
143.08524	3.4
145.10118	5.7
147.08067	1.2
147.10597	1.0
147.11679	12.9
149.09621	3.2
149.13237	31.6
151.11255	0.8
153.09143	1.0
157.10121	2.8
159.11665	3.5
161.09599	2.9
161.13213	7.1
163.11148	3.2
163.14798	10.1
165.09032	1.0
165.12793	1.0
171.11703	3.5
173.13278	1.4
175.11186	3.5
175.14830	4.9
177.12701	2.1
177.16302	2.0
179.10680	2.3
181.12199	2.4
185.13211	3.4
189.12746	2.1
189.16350	0.8
193.12186	2.2
195.13826	3.2
199.14882	1.1
203.14296	1.8
207.13766	4.8
209.15292	1.9
213.16417	2.4
217.15900	1.1
217.19456	3.1
221.15279	5.5
231.17406	3.0
231.21049	1.4
235.16882	6.5
241.19537	3.4
259.20547	6.1
268.06528	0.9
277.21588	100.0
278.21945	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	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07813	11.8
56.96553	21.2
64.43743	12.0
65.96963	10.5
70.06909	60.2
70.07327	17.9
82.51130	11.4
88.99141	13.8
98.20885	19.5
101.00835	21.1
119.01872	38.6
121.01672	26.9
131.01819	12.9
133.03426	21.6
137.02925	16.0
161.02936	58.6
173.02873	17.0
191.03918	16.8
245.05115	19.7
277.03229	100.0
277.07669	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0317
Annotation	selenoneine
Peak:m/z	Relative Intensity
63.64786	8.4
65.58466	8.1
69.63844	37.9
69.64272	31.6
69.92005	9.8
85.19727	7.2
96.95367	7.8
101.00843	11.7
119.01914	19.1
161.02959	12.9
173.02954	12.3
187.37631	9.2
208.63286	8.4
253.14427	7.8
277.03198	100.0
277.07852	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	275.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01853	2.1
55.05503	18.6
57.07072	7.0
59.24411	1.0
60.52683	0.9
65.03918	2.0
67.05493	32.9
67.65573	0.8
69.07053	28.5
70.89464	2.3
71.08595	3.5
79.05482	17.9
81.07041	100.0
83.04969	1.5
83.08606	14.1
91.05469	17.3
93.07027	19.9
95.04943	3.1
95.08590	77.0
97.06520	1.2
97.10149	6.8
105.06346	1.4
105.07014	22.8
107.04907	2.7
107.08575	19.4
109.06512	5.1
109.10136	48.0
111.11703	5.0
117.07004	4.0
119.08552	13.5
121.06475	4.5
121.10117	13.2
123.08083	1.3
123.11685	23.5
125.13206	1.4
129.07027	1.2
131.08543	6.3
133.10092	11.6
135.08043	2.8
135.11652	10.4
137.13235	6.1
145.10094	5.4
147.11659	9.1
149.09590	3.3
149.13234	8.2
151.14761	4.2
157.10118	1.6
159.11652	4.4
161.13231	3.1
163.11154	3.3
163.14807	5.4
165.16371	1.4
171.11707	1.2
173.13251	1.4
177.12672	1.2
177.16347	2.0
179.68175	1.1
219.21089	1.4
239.17877	1.6
247.20308	1.4
257.18927	3.6
275.20016	43.3
275.27295	27.3
276.20303	3.4
277.83957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.88438	1.0
53.03931	4.8
55.01859	6.7
55.05502	17.5
57.03131	1.2
57.03411	4.2
57.07059	2.2
59.04969	1.2
65.03911	2.0
67.05144	1.8
67.05492	32.9
67.99464	1.0
69.03405	3.0
69.07056	15.2
70.64895	5.0
71.04969	4.1
77.81954	1.1
79.05026	2.2
79.05479	40.5
81.03389	3.6
81.07040	100.0
83.04939	4.0
83.08613	8.4
85.06522	2.1
88.50209	1.1
91.05462	43.0
93.07034	26.5
95.04951	12.0
95.08585	23.8
97.06502	6.6
97.10137	3.1
100.49877	1.1
103.05493	1.5
105.07009	47.2
107.04934	8.6
107.08571	19.4
109.06497	45.9
109.10152	7.2
111.08066	3.6
115.05467	2.3
117.06982	10.1
119.07741	2.1
119.08556	35.0
121.06499	6.5
121.10136	12.9
123.08078	7.6
123.11662	4.0
125.09552	1.5
127.07498	1.3
128.06223	1.2
129.06966	3.8
131.08536	18.0
133.06458	2.1
133.10103	29.8
135.08051	6.8
135.09888	1.2
135.11700	6.4
137.09589	5.6
140.88242	1.0
143.08521	3.8
145.10109	13.5
147.08018	2.6
147.11658	22.5
149.09610	9.6
149.13200	6.4
151.11186	4.0
155.08389	1.2
157.10106	3.2
159.11671	9.8
161.09549	2.7
161.13257	5.9
163.11185	7.8
163.14732	2.4
165.09032	1.5
165.12706	3.4
169.10016	2.1
171.11653	2.1
173.09773	1.4
173.13245	6.1
175.11150	3.6
175.14810	1.6
177.12733	3.5
183.11555	2.7
187.11113	1.7
187.14713	2.8
189.12732	2.2
193.12253	4.1
197.13223	1.3
215.17934	1.6
219.17424	2.4
225.95906	1.3
229.19489	4.5
233.15331	1.4
239.17863	4.5
247.20529	8.4
257.18909	8.6
275.20007	97.4
276.20392	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.08612	1.1
53.03918	2.3
55.01869	8.8
55.05275	1.5
55.05505	18.7
58.36326	1.2
59.04919	1.2
65.03926	1.5
67.05492	24.2
69.03397	1.9
69.07059	10.9
69.43639	13.5
71.04984	1.5
79.05483	23.3
81.07045	39.5
83.08591	8.2
85.06541	2.1
88.85219	1.3
91.05466	59.7
91.06039	2.9
93.07033	24.2
95.04943	5.3
95.08603	15.7
97.06528	9.8
97.10165	3.1
99.78732	1.4
103.05458	1.7
105.07015	98.1
106.07308	2.2
107.04925	5.5
107.08580	15.1
109.06487	3.2
109.10136	5.2
113.06026	1.3
113.99625	1.4
117.06993	12.3
119.08556	44.1
121.06496	3.0
121.10114	6.9
123.08065	2.1
123.11731	1.6
125.09665	2.0
129.06972	1.7
131.08549	23.0
133.10117	57.1
135.08026	3.3
135.11650	4.3
143.08563	2.1
145.10115	18.2
146.10944	1.5
147.11649	20.5
149.09540	6.1
149.13220	2.5
149.14561	1.3
151.11192	2.4
155.08614	1.5
157.10109	3.9
159.10504	1.6
159.11655	8.1
161.13243	3.6
163.11157	2.8
169.10219	2.2
171.11682	2.2
173.13158	3.0
175.11201	1.5
183.11662	2.3
197.13115	1.5
205.12230	1.6
229.19508	3.1
239.17859	2.9
247.16881	1.6
247.20595	3.9
253.85782	1.3
257.18909	7.6
275.20035	100.0
276.20380	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	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.57271	1.3
52.70749	1.3
53.03922	2.9
55.01851	4.6
55.05502	16.0
57.03417	3.8
57.07059	2.0
65.03902	1.4
67.05491	29.5
69.03411	1.4
69.07056	12.4
70.06387	8.1
70.06690	1.2
70.06828	1.1
71.04973	2.7
79.05479	28.0
81.07038	31.9
83.04958	4.4
83.08600	6.9
91.05463	45.3
93.07031	30.1
95.04939	5.4
95.08600	20.5
97.06508	4.5
97.10146	2.7
98.60547	1.2
103.05418	2.1
105.07010	54.8
107.04924	6.0
107.08566	19.1
109.06505	7.4
109.10152	8.1
111.08085	1.5
115.05392	1.6
117.07012	13.4
119.08555	34.7
121.06499	7.5
121.10102	10.3
123.08073	6.4
123.11646	2.5
125.09624	1.7
129.06964	5.0
131.08534	19.1
133.06459	2.2
133.09183	2.3
133.10109	33.0
135.08028	10.3
135.11670	6.0
137.09572	4.3
138.30786	1.4
140.89716	1.3
141.06950	1.6
143.08562	3.3
145.10115	12.2
147.11676	17.0
149.09634	10.5
151.11153	2.4
157.10054	3.4
159.11653	12.3
161.09589	3.8
161.13254	7.1
163.11116	6.2
169.10097	2.0
171.11674	2.0
173.09596	2.0
173.13200	4.8
175.11160	3.3
175.14708	1.7
177.12723	2.3
183.11555	2.1
191.14258	1.5
197.13205	1.8
201.12747	1.9
219.13643	1.6
229.19496	3.9
233.15213	1.7
239.17816	5.2
247.20584	4.8
248.20358	1.4
257.18970	9.1
275.20013	100.0
276.20242	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03921	1.8
53.34315	1.2
55.01848	3.7
55.05237	1.2
55.05501	15.0
57.03413	3.9
65.43972	1.1
67.05494	23.4
69.03391	1.4
69.07053	10.7
69.71742	2.0
69.72147	6.7
71.04962	3.0
79.05482	24.3
81.07042	29.6
83.04967	1.8
83.08575	5.2
91.05460	36.7
93.06505	2.0
93.07027	24.5
95.04969	5.7
95.08588	16.9
95.09181	1.4
97.06498	3.8
97.10147	1.5
103.05421	1.8
104.62511	1.1
105.07012	48.7
107.04953	7.4
107.08574	18.1
109.06509	7.2
109.10122	5.9
111.08096	1.4
115.05423	1.2
117.07005	11.0
119.07733	2.1
119.08560	33.3
121.06491	6.7
121.10129	12.2
123.08073	6.3
123.11704	2.0
125.09598	1.2
127.33569	1.2
129.06973	3.3
131.08549	14.2
133.06453	2.1
133.10104	35.8
135.08032	7.4
135.11667	5.4
137.09598	5.8
139.11140	1.5
141.06946	1.3
143.08505	2.8
145.10086	13.6
147.08041	1.9
147.11667	17.9
149.09598	11.0
149.13171	1.8
151.11176	2.7
155.08490	1.8
157.10081	1.6
159.08093	1.4
159.11668	11.3
160.70552	1.1
161.09578	1.8
161.13217	5.4
163.11118	5.8
169.10059	1.3
171.11639	3.8
173.13217	8.0
175.11133	3.0
175.14777	1.4
177.12753	3.0
179.10532	1.1
183.11699	2.8
187.11235	1.4
187.14809	2.0
191.14326	1.4
197.13249	2.7
201.12749	1.7
201.16341	1.7
203.14265	2.3
211.14714	1.8
213.16219	1.6
229.19547	4.2
233.19141	1.2
239.17958	6.7
247.20486	5.5
257.18973	10.0
275.20013	100.0
276.20392	4.6
287.96655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	4.4
55.05275	0.9
55.05504	12.7
57.03425	1.5
57.07057	0.7
65.03916	1.0
67.05493	18.2
69.03429	0.8
69.07055	8.7
70.17041	3.5
71.04971	2.5
79.05479	21.0
81.03406	0.7
81.06603	1.2
81.07043	17.7
82.19960	0.6
83.04954	3.0
83.08625	4.6
85.06509	1.8
91.05463	35.1
93.07024	20.0
95.04968	3.3
95.08588	12.4
95.91204	0.7
97.06502	3.6
97.10130	2.2
103.05445	1.4
103.06116	0.6
105.07009	52.2
106.07327	1.0
107.04951	4.8
107.08569	17.3
109.06512	3.5
109.10139	5.6
109.72659	0.7
115.05434	0.6
116.06222	0.7
117.06995	8.9
119.08557	31.3
121.06473	2.5
121.10117	7.0
123.08042	2.4
123.11674	2.0
125.09698	1.1
129.07004	2.3
131.08548	13.3
133.06477	1.5
133.10103	31.2
134.10353	1.0
135.08029	2.7
135.11670	4.5
137.09578	1.5
138.71948	0.7
143.08499	2.5
145.10089	14.5
147.08022	1.9
147.11659	21.4
149.09575	10.0
151.11142	1.1
153.12718	0.9
155.08612	1.1
157.10123	3.1
159.11681	9.0
161.09607	0.9
161.13213	7.8
163.11157	3.5
169.10065	1.9
171.11681	2.6
173.11766	1.5
173.13239	4.2
175.11093	1.9
175.14856	0.8
177.12729	1.4
177.19626	0.7
179.10744	0.7
183.11678	3.0
185.13312	1.1
187.14760	1.1
189.12569	0.9
197.13261	1.9
199.14842	1.1
215.17906	0.9
219.13724	1.1
229.19524	1.5
233.15324	1.1
239.17876	3.7
247.20486	2.0
257.18954	10.9
266.33182	0.8
275.20007	100.0
276.20386	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03932	4.6
55.01868	9.3
55.05504	77.3
57.02130	1.6
57.07058	2.3
67.05498	27.5
68.02560	1.6
69.07063	18.6
71.04977	2.1
71.08613	1.9
71.62397	2.9
79.05483	24.1
81.03392	6.2
81.06618	2.0
81.07050	25.9
83.04958	6.5
83.08607	88.7
86.63488	1.7
91.04921	2.7
91.05466	44.7
93.07035	26.8
95.01306	5.9
95.04968	10.8
95.08601	22.5
97.06496	5.1
105.07020	41.2
107.04933	26.6
107.08576	14.0
109.06489	3.2
109.10139	5.2
109.63408	1.6
111.08086	13.6
112.89793	1.6
117.07012	12.6
119.08572	34.9
121.06490	5.3
121.10125	11.8
123.08036	4.3
128.49141	1.7
129.07004	2.9
130.07726	1.6
131.08560	17.0
133.10106	20.7
135.08002	3.0
135.11635	6.3
137.09619	1.9
139.11121	3.7
141.07037	2.3
143.08452	2.3
145.06488	3.0
145.10104	20.5
147.08051	3.5
147.11684	15.6
149.09593	18.3
149.13185	3.1
151.11125	2.7
157.10110	4.6
159.11662	14.2
161.13255	9.8
163.11180	17.3
165.12767	8.3
171.11630	3.2
173.09535	2.6
173.13237	7.8
175.11234	2.9
177.12659	2.2
179.10582	2.1
183.11613	3.4
187.11122	2.7
187.14742	1.9
189.12730	2.1
191.10588	5.0
191.14192	2.3
194.82166	1.7
201.12691	2.9
207.13821	1.9
219.13840	1.9
229.19519	3.9
239.17818	4.3
247.20511	2.6
257.18936	12.3
275.20026	100.0
276.20468	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	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03916	5.2
55.01854	6.2
55.05503	19.5
57.03425	3.5
65.03918	2.2
66.04691	1.5
67.05494	33.7
69.03416	2.1
69.07060	12.1
69.99997	9.8
71.04961	3.1
71.08572	1.3
79.05026	2.4
79.05481	46.8
81.03385	4.9
81.07043	100.0
82.07394	1.9
83.04972	3.7
83.08607	8.2
85.06525	3.1
91.05468	43.5
93.07029	31.7
95.04962	8.8
95.08591	24.7
97.06511	5.5
99.08105	2.2
103.05393	2.6
105.07013	48.1
107.04945	10.1
107.08579	20.0
109.06501	44.9
109.10169	8.0
111.08036	2.9
117.06998	12.7
119.08557	38.7
121.06499	9.3
121.10131	12.9
123.08021	6.8
123.11684	3.6
128.59758	1.4
129.06981	4.5
130.07726	2.1
131.07651	2.0
131.08543	20.8
133.06425	3.2
133.10115	29.2
135.08043	8.2
135.11650	7.8
137.09558	3.4
141.07005	2.3
143.08481	3.0
145.10107	14.9
147.08041	3.6
147.11662	21.0
149.09610	9.5
149.13231	5.9
151.11182	2.9
157.10106	4.9
159.08080	2.0
159.11725	9.2
161.09627	2.5
161.13231	4.6
163.11162	7.8
163.14813	2.3
165.12717	2.8
169.10080	1.9
171.11674	4.5
173.13289	4.3
175.11121	3.9
177.12729	4.3
183.11667	2.0
187.11072	2.1
187.14719	2.0
189.12683	1.8
193.12253	3.7
197.13226	2.1
201.12729	1.7
201.76846	1.5
215.17949	2.6
229.19389	4.3
239.18016	3.3
247.20607	8.2
257.19107	9.9
275.20020	99.5
276.20349	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.48630	0.7
51.49273	0.8
53.03936	1.9
55.01849	3.7
55.05505	12.1
57.03427	5.4
65.03901	1.4
67.05148	1.0
67.05492	15.3
69.03393	0.9
69.07055	9.3
71.04962	2.3
79.05483	19.8
81.03400	1.2
81.07045	17.9
83.04948	2.6
83.08607	6.1
85.06522	2.3
91.05465	32.1
93.07027	22.2
95.04945	5.7
95.08588	14.9
97.06517	4.2
97.10137	2.1
103.05441	1.5
105.07014	45.3
106.07352	1.1
107.04938	6.5
107.08574	16.0
109.06496	3.7
109.10175	4.4
109.10796	0.9
111.08067	1.3
111.79675	0.8
117.06983	10.1
119.08565	32.2
121.06499	5.4
121.10126	7.9
123.08041	2.9
125.09585	1.1
129.06955	4.8
130.07780	1.2
131.08549	15.7
133.10107	25.7
135.07993	4.1
135.11674	3.9
137.09615	2.5
141.06944	1.2
143.08557	3.4
145.10072	11.7
147.08022	1.5
147.11668	20.6
149.09587	11.3
151.11142	1.0
155.08548	1.6
157.10075	3.2
159.07944	1.0
159.11673	10.5
161.09628	1.7
161.13231	5.1
163.11143	4.2
169.10063	2.2
171.11653	2.2
173.09567	1.0
173.11908	1.0
173.13223	4.9
175.11224	1.6
175.14790	1.6
177.12701	2.3
183.11659	2.7
185.13179	5.1
187.14864	1.6
191.14197	1.1
195.62520	0.8
197.13179	2.4
201.16217	1.3
203.14323	4.4
219.17325	1.7
229.19543	3.0
233.18971	1.2
239.17958	5.6
247.20541	2.0
257.18979	12.5
275.20016	100.0
276.15906	2.3
276.20343	2.9
282.12949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.23757	1.1
53.03923	3.7
55.01634	1.3
55.01862	16.2
55.05501	19.5
55.15433	1.0
57.03427	1.9
58.95421	1.1
65.03916	2.2
67.05151	1.5
67.05497	23.9
69.03408	1.5
69.06757	1.3
69.07059	16.9
70.45095	5.0
71.04971	2.0
79.05480	29.9
81.03424	1.1
81.07040	46.4
83.04964	3.4
83.08610	5.5
85.06521	2.2
90.38544	1.0
91.05466	60.4
93.07030	23.8
95.01282	1.5
95.04950	6.2
95.08595	16.1
97.06510	21.9
97.10129	3.1
103.05446	2.6
105.07012	100.0
107.04961	9.0
107.08570	9.8
109.06464	4.7
109.10138	4.5
111.08067	1.3
115.05444	1.1
117.06986	16.6
119.08562	46.5
121.06477	1.9
121.10128	7.4
123.08053	2.0
123.11644	2.1
125.09635	2.5
129.06956	2.4
131.08551	19.6
131.75177	1.2
133.10106	55.6
135.08002	2.1
135.11664	4.6
137.09563	2.2
143.08498	2.0
145.10068	12.3
147.08025	1.2
147.11656	20.1
149.09598	5.1
149.13234	1.3
151.11182	2.6
155.08603	1.1
157.10059	4.1
159.11684	9.3
161.09688	1.3
161.13206	3.4
163.11147	3.8
165.09097	3.4
171.11586	2.8
173.13225	1.9
179.14302	1.6
183.11681	2.3
197.13232	2.2
228.02470	1.1
229.19354	1.5
239.17853	2.8
247.20602	3.2
253.47435	1.2
257.19052	6.6
273.83752	1.0
275.20023	83.6
276.20499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	5.5
55.01875	7.2
55.05505	17.1
57.03417	3.6
57.07051	1.7
65.03940	1.8
67.05492	34.3
69.03419	2.8
69.07056	12.9
70.95568	5.0
71.04971	2.1
79.05478	41.7
81.03388	3.7
81.07040	90.6
82.35820	1.5
83.04948	6.5
83.08604	7.2
84.87600	1.4
85.06514	2.3
91.05463	49.0
93.07029	32.9
95.04969	8.8
95.08588	22.7
97.06512	6.9
97.10162	2.9
99.08088	1.7
105.07005	50.5
107.04935	12.9
107.08565	21.3
109.06498	36.1
109.10115	7.9
111.08065	2.6
112.98226	1.4
117.06995	10.9
119.08562	31.4
121.06485	9.5
121.10140	13.8
123.08031	6.8
123.11686	4.2
125.09606	2.0
128.67067	1.4
129.06987	3.7
131.08525	17.5
133.06549	1.6
133.10100	34.9
135.08063	9.4
135.11676	7.2
137.09599	3.5
141.06966	1.5
143.08499	4.0
145.06479	1.9
145.10086	14.0
147.08046	3.0
147.11652	18.7
149.09570	6.6
149.13216	5.9
151.11150	3.0
157.10080	4.0
159.11699	9.1
161.09576	2.9
161.13231	5.3
163.11147	5.1
165.12759	1.8
170.22168	1.5
171.11630	3.5
173.09407	1.5
173.13228	6.3
175.11119	3.6
177.12726	1.9
183.11670	2.9
185.13275	2.2
187.14748	1.7
189.16458	1.8
193.12057	3.5
197.13145	1.5
215.14314	1.9
229.19400	3.0
239.17914	4.5
247.20528	9.1
257.18881	8.6
275.20010	100.0
276.20300	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	275.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01865	2.8
55.05500	16.3
57.03413	4.5
57.07053	1.7
65.03899	1.7
67.05490	23.9
68.66416	1.2
69.07050	11.5
69.62144	1.1
71.04979	1.7
71.15417	3.0
79.05477	25.9
81.03406	1.9
81.07043	30.5
83.04966	2.9
83.08595	5.0
89.95746	1.1
91.04930	2.3
91.05469	42.9
93.07030	25.0
95.04953	6.3
95.08589	16.8
97.06512	2.8
97.10162	2.0
103.05421	2.6
103.44989	1.3
103.90964	1.2
105.07008	53.9
107.04946	6.1
107.08583	16.3
109.06509	6.7
109.10149	5.2
117.06996	10.4
119.08556	36.5
121.06480	3.2
121.10127	7.5
123.08047	6.1
123.11665	1.3
129.06981	2.2
131.08553	15.9
133.06483	1.6
133.10106	45.8
135.08028	8.7
135.11662	5.8
137.09575	3.6
141.06999	1.4
143.08434	1.9
145.10101	14.3
147.07993	1.6
147.11655	21.6
149.09596	5.9
149.13231	2.8
151.11169	2.4
155.08495	1.8
157.10081	3.2
159.11697	10.6
161.09563	1.7
161.13199	5.3
163.11110	3.7
165.12634	1.6
169.10103	1.5
171.11627	1.6
173.13234	5.5
175.11186	3.1
177.12831	1.7
183.11710	3.9
185.13174	2.6
187.14789	1.3
201.12740	2.0
201.16386	1.8
203.14304	2.4
229.19502	3.6
239.17905	4.2
247.20518	5.1
257.18918	10.6
275.20010	100.0
275.98932	1.7
276.20490	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	275.1999
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03923	2.5
55.01847	3.0
55.05277	1.5
55.05500	14.8
57.03409	4.8
63.41924	1.2
63.49481	1.3
65.03929	1.5
67.05492	23.5
69.07043	11.6
71.04979	2.3
71.15259	3.2
78.74560	1.2
79.05473	27.2
81.07040	35.2
83.04948	2.9
83.08600	6.9
85.06517	2.8
91.04920	2.3
91.05460	44.2
93.07024	25.8
95.04937	4.4
95.08589	12.5
97.06469	1.8
103.05419	2.1
105.07007	56.9
107.04918	6.4
107.08571	19.2
109.06491	8.1
109.10150	7.6
111.08056	3.2
114.44002	1.4
115.05435	2.3
117.07008	12.7
119.08553	37.6
121.06503	3.2
121.10106	11.2
123.08038	6.3
123.11643	1.8
129.06955	3.6
131.08540	16.5
133.06503	1.4
133.10101	43.1
135.08018	9.0
135.11624	5.9
137.09575	3.1
141.06920	1.8
143.08534	3.6
145.10094	15.8
147.07947	2.6
147.11655	23.5
149.09598	9.0
155.08540	1.3
157.10103	5.3
159.08028	2.0
159.11658	13.0
161.13196	7.3
163.11154	4.8
169.10219	2.7
171.11652	3.2
173.13252	7.8
175.11128	3.3
175.14641	2.3
177.12723	2.5
183.11638	3.7
185.13228	3.9
187.14728	2.2
191.14246	1.7
193.12285	1.3
197.13219	3.1
199.14717	1.9
201.12721	2.2
201.16339	2.4
203.14342	3.5
215.14117	1.9
215.17978	1.7
229.19460	3.6
239.17921	6.7
247.20490	5.5
257.18973	9.7
275.20007	100.0
276.20273	3.2
290.63687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01857	4.1
55.05494	10.5
57.03430	2.3
57.07055	7.5
67.05485	16.9
69.03426	2.3
69.07047	10.6
69.66394	2.6
70.06569	10.1
70.10337	13.5
71.04977	15.2
71.08597	2.6
79.05486	16.1
81.07040	20.5
83.04968	8.1
83.08582	3.9
85.06513	11.1
88.07603	10.2
91.05458	23.6
93.07033	22.3
95.04949	8.6
95.08595	26.0
97.06512	4.1
105.07007	30.6
105.37008	2.6
106.08672	3.6
107.04913	3.4
107.08582	24.4
109.06493	13.7
109.10136	5.9
111.08043	11.7
114.35633	2.4
117.07010	7.5
119.08547	33.3
121.10166	19.1
123.08044	5.2
123.11674	4.4
128.06171	3.3
129.06912	6.2
130.07732	3.6
131.08548	23.5
133.10092	27.2
135.08020	20.1
135.11633	6.0
137.09610	9.9
142.07768	7.2
143.08510	12.6
144.09377	2.8
145.10130	23.1
147.11667	8.9
149.09579	4.2
155.08578	3.2
156.09396	3.0
157.10092	17.5
158.10872	9.8
159.11656	37.7
161.09637	4.4
163.11081	6.6
169.10110	5.5
171.11716	8.2
173.13235	57.4
174.13934	5.8
175.11147	8.5
175.14799	5.9
177.12706	7.3
183.11658	11.7
184.12399	3.7
187.14812	6.0
191.14265	9.0
197.13246	7.0
198.07198	2.9
199.14771	18.6
201.12718	9.3
213.16396	6.8
215.14264	2.9
215.17834	7.1
217.15887	5.3
239.17867	10.9
257.18906	23.9
257.26724	5.2
275.20016	69.8
275.27704	100.0
276.20282	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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.48299	0.7
53.03929	2.3
54.79648	0.7
54.91040	0.6
55.01860	4.9
55.05272	0.8
55.05502	11.5
57.03420	2.0
57.07058	1.0
59.20006	0.6
65.03913	0.9
67.05491	15.4
69.03394	1.0
69.07053	8.8
70.45387	1.6
70.45798	2.2
71.04972	2.3
78.08066	0.6
79.05478	20.7
81.03380	0.7
81.07045	17.9
83.04958	2.9
83.08598	5.2
85.06527	1.3
85.83203	0.7
91.05461	32.8
93.07024	16.7
94.99316	0.7
95.04952	4.4
95.08594	13.4
97.06500	3.8
97.10144	1.7
103.05481	1.4
105.07011	44.3
106.07308	0.7
107.04935	6.6
107.08572	15.4
109.06519	4.5
109.10144	6.6
111.08050	2.0
117.07006	9.6
119.08557	25.4
121.06480	4.0
121.10142	7.5
123.08051	1.4
123.11650	1.2
125.09637	1.9
129.06987	2.4
131.08536	14.5
133.06442	1.2
133.10106	25.9
134.10432	0.9
135.08051	3.4
135.11693	3.3
137.09578	1.5
141.06949	1.2
143.08516	2.2
145.06490	0.8
145.10103	13.0
147.08031	1.6
147.11652	19.2
149.09596	9.8
149.13234	1.0
151.11162	2.7
155.08466	1.8
157.10066	3.4
159.11674	8.2
161.09570	1.9
161.13254	5.2
163.11159	4.9
165.09164	1.4
165.12651	0.9
167.10655	1.0
169.10098	1.5
171.11653	2.3
173.13274	4.1
175.11137	1.5
175.14777	1.2
175.80557	0.9
177.12700	1.5
183.11676	2.3
185.13338	1.0
187.11079	0.8
187.14764	1.0
189.12717	0.9
197.13235	1.9
201.12714	1.3
205.12299	1.3
211.14873	1.0
215.17935	1.4
219.13655	0.9
229.19446	2.7
233.15421	0.9
239.17867	3.7
247.20511	3.3
257.18979	9.0
259.15967	0.8
275.20010	100.0
276.20392	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	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03926	3.1
53.42889	0.7
55.01864	9.0
55.05503	18.9
57.03417	2.0
57.07061	0.9
65.03918	1.5
67.05143	1.7
67.05491	25.3
67.16714	0.8
67.17047	0.9
69.03404	0.8
69.07058	13.2
70.04933	3.2
70.05347	1.6
71.04976	2.6
78.00622	0.8
79.05482	30.1
80.23821	0.8
80.46557	0.8
81.03392	0.9
81.07043	26.1
83.04963	4.5
83.08613	4.9
85.06512	2.2
91.05467	42.5
93.07030	26.0
95.04965	6.9
95.08585	16.2
97.06513	9.1
97.10128	2.6
103.05453	2.3
105.07014	57.4
107.04941	10.0
107.08579	19.6
109.06520	5.3
109.10131	8.3
111.08031	2.0
115.05418	1.8
117.06993	11.4
118.07718	0.9
119.08560	34.3
121.06491	6.4
121.10131	9.3
123.08025	3.4
123.11669	2.8
125.09598	1.5
129.06976	3.2
131.08539	17.8
133.06470	1.2
133.10104	30.8
135.08040	5.9
135.11690	4.7
137.09586	2.8
139.11087	0.8
143.08516	3.6
145.10104	14.9
147.08044	1.7
147.11665	21.0
148.08888	0.9
149.09608	13.6
149.13269	1.1
151.11188	2.0
155.08556	1.7
157.10092	2.5
159.11717	8.3
161.09557	2.3
161.13272	5.8
163.11197	6.9
163.14842	0.9
165.09053	1.6
169.10075	1.9
170.97600	0.8
171.11646	2.0
173.13222	4.2
175.11234	1.1
175.14764	1.2
177.12680	2.0
179.14311	1.7
183.11649	3.8
185.13249	1.1
187.11143	1.5
187.14777	0.9
191.14299	1.0
197.13231	1.8
201.12697	1.1
211.14763	1.2
215.14389	1.0
229.15901	0.9
229.19519	4.7
233.18808	0.8
239.17900	4.6
247.20490	4.6
257.19000	10.0
275.20020	100.0
276.20346	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03920	1.7
55.01868	4.5
55.05504	12.3
57.03417	1.7
60.38367	0.8
67.05499	18.2
69.07060	7.2
71.04973	1.7
71.15764	0.9
78.75230	0.8
79.05486	19.9
79.72194	0.9
80.20757	0.8
81.07047	18.7
83.04961	3.1
83.08617	6.0
91.05471	29.9
93.07036	24.2
95.04948	2.9
95.08593	13.8
97.06526	6.5
97.10143	3.0
102.11735	0.9
105.07018	41.0
106.07365	1.1
107.04926	3.4
107.08578	17.8
109.06499	5.6
109.10125	5.8
111.08052	3.8
117.06998	9.7
117.47433	0.8
119.07738	1.8
119.08568	30.2
121.06503	5.5
121.10140	11.2
123.08045	3.5
123.11729	1.1
125.09647	2.0
129.07002	3.0
130.07767	1.4
131.08534	14.1
131.31900	0.9
133.06447	2.9
133.10115	30.7
135.08040	5.0
135.11700	4.4
137.09573	3.8
141.06902	1.2
143.08525	3.1
144.66260	1.0
145.10107	15.8
147.08028	2.8
147.11662	15.3
149.09610	14.0
149.13242	1.2
151.11157	3.5
155.08513	1.2
157.10121	3.3
159.11662	9.4
161.09636	2.1
161.13246	5.4
162.10394	1.3
163.11156	8.4
165.12711	2.8
169.10114	3.3
171.11705	3.1
173.09557	1.1
173.13214	4.8
175.11145	3.5
175.14719	0.8
177.12689	2.6
181.12212	1.0
183.11685	3.8
185.13248	1.1
187.14728	1.3
189.12689	1.8
191.14302	3.1
197.13235	3.3
201.12711	2.2
213.16335	1.2
215.14368	1.4
215.18019	1.4
229.19481	4.1
239.17920	11.0
247.20566	3.6
247.71861	0.9
257.19006	12.2
275.20035	100.0
276.20358	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31260	1.4
69.63218	13.8
72.81431	1.5
95.04910	1.6
101.00871	22.8
103.02395	4.8
117.03980	5.2
119.01897	100.0
120.01967	3.2
127.02383	7.3
135.05006	1.8
137.02921	23.7
142.03499	3.5
143.01891	2.5
145.02356	2.9
145.03441	46.0
147.69775	1.6
157.03439	4.9
159.04996	12.1
161.03030	7.8
163.04488	7.8
169.03435	22.5
171.05017	4.2
175.04504	2.9
177.06076	6.0
185.02951	12.0
187.04480	32.6
189.02422	8.8
197.02869	3.0
198.44281	1.6
203.03992	6.0
203.66417	1.6
205.05562	6.0
207.03481	5.0
210.06091	2.1
211.04474	1.9
213.02391	3.8
215.03972	6.7
229.05519	14.1
231.03435	7.3
247.06610	7.8
257.04980	1.9
275.02817	3.3
275.06036	37.2
293.03705	2.0
293.07022	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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03921	2.4
55.01859	4.8
55.05502	17.6
57.03413	2.0
65.03915	2.5
67.05495	22.4
69.03419	1.8
69.07054	9.6
71.04958	2.2
71.08763	2.2
77.03895	0.9
79.05481	28.1
81.03401	1.4
81.07043	28.7
83.04980	4.1
83.08603	7.9
85.06516	1.7
91.05463	37.4
93.07027	25.5
93.09743	0.7
94.07352	0.8
95.04960	4.9
95.08596	16.9
97.06512	5.2
97.10138	3.0
99.08038	1.0
103.05430	1.6
105.07013	47.7
107.04934	5.8
107.07915	1.2
107.08575	18.0
109.06503	6.7
109.10139	8.8
111.08050	2.9
115.05443	1.5
117.07003	11.6
118.33005	0.7
119.08559	34.8
121.06476	6.2
121.10127	10.3
122.91528	0.9
123.08056	5.8
123.11681	1.1
125.09592	2.4
129.06964	3.3
130.07761	1.0
131.08543	15.8
133.06445	2.0
133.10107	31.2
135.08067	6.4
135.11655	5.7
136.98553	0.7
137.09567	3.8
141.06993	2.0
143.08575	3.4
145.06499	1.0
145.10114	17.5
147.08029	2.8
147.11656	17.3
149.09586	16.4
149.13220	2.4
151.11177	4.4
155.08562	2.1
157.10101	3.0
159.07961	1.2
159.11668	11.3
161.09676	1.5
161.13240	5.6
162.10367	0.8
163.11166	9.1
163.14836	0.7
165.08992	1.1
165.12706	3.6
169.10088	3.3
171.11687	4.2
173.09657	0.9
173.13148	4.3
175.11194	3.4
175.14821	1.2
177.12741	3.8
179.10725	1.1
179.14291	1.3
183.11649	3.3
185.13234	1.4
187.11110	1.6
187.14807	1.0
189.12679	1.7
191.14380	1.4
193.12209	1.3
197.13170	4.1
201.12775	1.5
207.13467	0.8
211.14737	0.9
213.16367	1.1
215.17940	2.2
219.17397	0.7
229.15965	1.0
229.19394	3.7
233.18936	1.3
239.17912	10.2
247.20515	3.2
257.18982	14.1
275.20016	100.0
275.27850	2.4
276.20377	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99863	2.7
68.80953	1.2
70.75301	2.6
70.75682	3.1
97.09122	1.2
97.11917	1.4
101.00858	23.3
103.02404	2.8
108.05141	1.4
117.03979	5.4
119.01901	100.0
120.01998	3.0
121.95486	1.4
127.02397	5.7
127.77163	1.4
135.05017	2.8
137.02939	27.5
142.03525	2.8
143.01936	2.2
145.03444	42.6
145.04597	2.3
147.01372	2.4
157.03455	4.0
159.05011	27.5
161.02962	4.8
163.04485	10.8
169.03442	17.7
170.16956	1.4
171.01440	2.8
171.04985	3.1
177.00926	1.6
177.06009	12.1
179.03937	1.4
185.02934	10.3
187.04482	38.3
189.02423	14.6
197.02869	3.7
199.30528	1.5
203.03999	10.8
205.02077	1.6
205.05591	9.6
207.03448	8.1
209.46275	1.6
210.06071	2.5
213.02463	10.0
215.00360	1.9
215.03870	2.3
229.05582	13.4
231.03499	13.0
233.01332	3.6
247.06622	10.8
249.04535	2.3
251.99104	1.3
257.05167	1.8
267.70410	1.4
275.02472	7.0
275.06100	30.7
293.03476	4.0
293.07156	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	275.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22332	0.7
56.96557	100.0
58.99852	0.8
67.05641	0.7
70.64017	3.1
70.98111	53.7
71.95244	3.0
72.08147	1.4
74.97586	3.7
80.38431	0.8
84.08128	1.4
84.96019	2.6
85.02928	1.1
86.34892	0.7
88.99150	22.5
97.77973	0.7
98.97565	33.4
101.00854	4.5
103.02443	1.1
107.00167	3.5
110.97549	3.0
115.02448	1.4
116.98605	19.6
117.03992	0.8
119.01903	17.7
124.95547	0.7
128.98581	6.8
131.01906	2.0
133.03506	1.4
134.99634	8.2
135.05025	1.0
135.48637	0.8
137.02927	4.9
143.01758	1.2
145.03450	5.6
146.04697	0.8
146.99628	14.8
153.00639	1.4
154.96483	5.4
158.99657	0.8
159.05020	3.2
160.97653	0.9
161.02879	1.3
161.62184	0.8
163.04480	2.3
165.00702	16.7
170.95967	1.1
171.01326	1.0
172.94310	1.4
172.97560	40.3
174.99133	1.9
177.00739	1.0
177.06105	2.1
183.01701	1.7
185.02922	1.4
185.06590	1.1
186.99092	1.5
187.04552	1.9
188.97026	1.9
189.02408	2.2
190.98610	97.6
191.98938	1.8
194.00673	0.8
195.99156	1.4
200.97046	2.6
202.98566	1.1
203.04041	1.7
205.00191	8.4
205.05525	0.8
208.99661	23.5
213.02409	1.7
214.00162	3.0
214.98561	4.0
218.95982	1.3
218.98105	24.5
220.99721	1.4
221.05144	1.5
223.01210	5.1
231.03432	1.0
232.99638	41.1
234.99782	1.2
236.99167	10.4
241.99699	1.3
251.00647	25.1
256.01251	2.4
269.01746	1.5
274.97488	12.3
275.02194	1.5
292.98447	8.4
293.03531	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	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38602	1.6
56.96557	90.6
60.22958	1.7
63.74575	1.9
70.07796	7.4
70.08209	3.8
70.98111	57.8
70.98502	2.9
71.95241	1.7
76.48047	1.7
81.62582	1.8
84.96047	2.8
88.99140	18.8
92.98603	1.9
98.97572	21.3
101.00845	2.7
107.00209	4.0
110.97535	2.0
116.98611	15.5
117.03970	2.2
119.01892	16.7
128.98578	6.1
134.99641	5.8
136.24684	1.8
137.02983	4.7
145.03426	6.5
146.99626	20.2
154.96484	6.1
159.05002	3.7
163.04482	2.5
165.00725	19.6
168.30281	1.8
172.97552	44.8
177.00626	1.7
177.05959	2.2
187.04521	5.2
189.02461	3.0
190.98607	100.0
200.97072	3.1
203.64265	1.8
205.00204	11.0
208.99680	21.1
214.00063	1.9
214.98581	6.5
218.98131	24.9
223.01253	7.5
231.03426	2.8
232.99648	52.1
233.01825	3.8
236.99129	11.9
251.00667	29.6
256.01257	2.7
274.40363	2.1
274.97391	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	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03929	3.6
53.15823	3.0
55.05486	16.2
57.07049	6.4
67.05495	19.8
69.07059	30.3
71.08592	3.5
71.10789	3.2
79.05463	11.7
81.06602	5.5
81.07047	73.0
83.08595	14.0
87.38223	3.0
91.05476	8.1
93.07024	30.6
95.08593	67.7
97.10147	10.9
105.07024	19.7
107.08576	42.0
109.10134	54.4
119.08581	28.7
121.10127	38.0
123.11679	40.1
133.10138	17.8
135.11690	32.1
137.13237	14.9
147.11676	12.9
149.13205	44.3
151.14787	5.0
161.13269	24.6
163.14772	20.0
175.14787	11.8
177.16338	13.8
189.16315	17.4
191.17924	10.2
203.17905	18.7
217.19524	28.6
230.13585	4.3
231.21172	3.5
273.18698	5.1
273.25729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03945	1.7
54.46964	1.4
55.05500	13.7
57.07055	6.6
62.39656	1.4
67.05499	23.4
69.07059	33.6
69.32329	1.3
70.11256	7.6
71.08614	2.0
79.05489	11.7
81.07044	66.9
82.94328	1.6
83.08616	14.5
91.05462	12.5
93.07034	36.0
95.08591	70.4
97.10158	10.4
105.07024	22.5
107.08576	52.3
109.10141	56.7
111.11684	5.3
119.08571	21.1
121.10131	42.3
123.11694	40.4
125.13255	1.9
133.10106	16.1
135.11681	31.0
137.13249	13.6
145.10078	2.2
147.11687	16.4
149.13237	38.9
151.14795	8.0
161.13239	26.1
163.13521	2.4
163.14806	28.3
165.16357	2.8
175.14780	13.5
177.16376	19.7
189.16365	20.6
191.17961	12.5
203.17906	18.0
205.19434	2.2
213.63022	1.4
217.19481	25.3
231.21042	2.4
273.25729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1843
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.54789	1.3
53.03947	2.4
55.01852	2.4
55.05508	7.9
57.07056	4.5
57.07328	1.4
59.04981	1.7
64.90391	1.4
67.05487	9.1
69.03402	1.9
69.07041	5.3
69.63039	1.6
70.89812	2.9
70.90168	3.2
71.04950	1.5
79.05489	11.1
81.07040	13.5
83.08602	3.9
85.06526	3.0
91.05460	18.9
93.07032	17.0
95.04933	4.1
95.08597	9.3
97.06506	2.9
105.06335	2.2
105.07004	31.8
107.04907	2.4
107.08583	14.8
109.06493	25.8
109.10120	5.7
111.08097	2.1
115.05411	3.2
116.06161	1.5
117.06989	7.7
119.04917	6.9
119.08556	25.3
121.06440	1.7
121.10129	14.2
123.08048	4.5
123.11628	2.5
128.06160	5.4
129.06956	11.2
130.07761	5.3
131.08546	20.0
133.06458	10.4
133.10086	14.9
135.08002	10.1
135.11565	2.0
137.09647	2.0
141.06938	6.2
142.07758	10.6
143.08525	23.4
144.09259	5.2
145.06390	1.7
145.10083	23.6
147.04362	8.8
147.08058	2.7
147.11674	12.6
148.93034	1.9
149.09547	2.8
149.13203	1.9
153.01802	29.7
153.06955	3.9
155.08484	16.2
156.09311	16.4
157.10085	27.0
158.10872	2.8
159.08002	4.2
159.11656	13.0
160.08795	2.0
161.09575	7.8
163.11096	1.5
165.06978	5.5
166.07742	3.6
167.08511	5.8
168.09299	2.4
169.10065	20.1
170.10847	7.0
171.11655	32.1
172.12387	3.8
173.09590	19.5
173.13240	9.5
174.10365	2.3
175.11122	12.1
179.08530	2.4
180.09262	2.1
181.06427	1.8
181.10069	10.2
182.10884	12.8
183.11655	10.7
184.12404	1.7
185.09621	3.1
185.13271	9.7
187.11131	2.9
187.14810	4.9
189.12708	18.7
193.10097	5.8
195.11632	9.3
196.12367	4.6
197.09459	2.4
197.13213	46.1
198.13921	3.8
199.11162	16.3
207.11690	6.1
208.12453	3.0
209.13214	4.3
211.14795	18.0
212.15587	13.1
213.12663	6.0
213.16330	25.7
214.13452	3.7
215.14273	11.0
217.12132	3.9
222.14008	4.8
225.12697	5.2
227.14233	10.1
229.15845	11.1
230.16566	2.6
231.13568	1.6
231.17372	3.8
237.16307	10.2
240.15063	6.7
255.17386	58.7
256.17725	2.9
273.03867	12.0
273.07489	19.4
273.18430	100.0
273.25854	4.9
274.18655	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	273.1843
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.83416	2.7
53.45169	2.4
53.64918	1.9
55.05482	3.3
57.07066	2.7
62.98752	2.2
67.05476	5.4
70.45618	10.5
71.04992	5.8
77.74164	2.3
79.05448	5.0
81.07031	10.3
83.04967	3.8
83.08573	3.5
85.06521	5.3
91.05472	13.0
93.07021	7.7
95.04966	25.3
95.08569	5.1
105.07032	18.3
107.08574	14.1
108.13017	2.4
109.06506	29.8
109.10146	9.5
111.08067	5.2
113.06035	2.5
117.07007	4.3
119.08548	26.2
121.10146	6.4
123.08041	25.9
123.11679	2.3
128.06157	3.1
129.06982	6.6
131.08534	21.4
131.26712	2.2
133.10101	15.1
135.08067	11.6
137.09610	9.5
137.29771	2.3
139.17201	2.5
141.06940	2.7
142.07790	11.2
143.08521	16.4
145.10114	43.5
147.08063	7.3
147.11644	22.1
149.09619	5.6
151.07446	3.7
151.11209	4.4
155.08504	5.0
156.09273	13.0
157.10086	28.4
158.10841	4.7
159.08080	5.3
159.11743	11.2
161.09621	5.5
161.13243	2.6
163.11148	3.7
167.08525	2.6
169.10098	5.0
171.11687	22.5
173.09558	10.7
173.13249	26.3
174.10347	4.5
175.11195	15.6
181.10146	3.8
182.10835	5.1
183.11676	5.7
185.13220	10.0
187.11211	20.4
187.14784	6.7
189.12775	19.3
196.12462	2.7
197.13248	16.3
199.11160	10.8
203.14290	3.0
207.11728	2.8
211.14893	3.5
213.12747	5.4
213.16393	15.4
214.13397	3.5
215.14304	41.5
217.12198	13.2
222.13821	2.7
225.12729	3.9
227.17940	3.1
229.15923	5.0
231.17429	16.8
255.17413	32.6
273.03799	3.8
273.18451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1843
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03926	1.9
55.01842	5.5
55.05502	29.5
57.03411	2.2
61.90944	1.2
65.03938	1.7
67.05198	1.2
67.05495	19.0
69.03402	1.9
69.07060	7.6
69.59797	3.6
69.60229	7.1
71.04968	3.1
79.05481	19.1
81.03397	1.5
81.07043	21.0
83.04965	3.4
83.08602	8.9
86.16300	1.3
91.05461	34.9
93.07018	17.6
95.04935	5.5
95.08581	12.0
97.06505	2.2
97.10159	6.2
101.67992	1.1
103.05443	1.9
105.07008	34.0
107.04922	3.4
107.08566	9.2
109.06480	4.7
109.10126	4.0
111.08054	2.6
111.86651	1.1
112.27863	1.6
115.05423	4.5
116.06218	3.5
117.06997	24.0
119.04863	2.5
119.08556	20.2
121.06493	3.6
121.10102	4.9
123.08025	2.5
125.09615	1.6
128.06171	8.1
129.06973	17.2
130.07741	7.5
131.04883	1.7
131.08536	56.6
132.93718	1.2
133.06509	6.0
133.10103	11.0
133.36130	1.4
135.08047	6.9
135.11629	1.8
137.09567	2.3
141.06892	1.7
142.07762	3.3
143.08536	49.9
145.06464	3.3
145.10095	55.7
147.08014	9.4
147.11627	4.8
149.09567	3.5
155.08507	3.9
157.10107	15.2
159.08038	6.4
159.11646	14.1
161.09596	15.1
163.11153	3.6
169.10112	6.9
171.08179	1.5
171.11690	9.7
173.09544	3.8
173.13208	2.8
175.11153	5.2
181.10092	3.9
183.11682	2.2
185.13190	3.7
187.11139	2.4
195.11670	6.0
197.13223	2.1
199.11150	3.1
209.13185	2.2
211.14789	2.0
213.12651	1.6
213.16333	1.6
217.12148	1.8
219.87491	1.1
227.17967	6.3
231.13612	1.4
237.16335	12.8
245.18967	5.1
255.17406	19.7
273.03915	3.7
273.18436	100.0
274.18851	3.0
274.27393	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	273.1844
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03943	1.6
55.01859	4.4
55.05503	12.7
55.78656	0.7
57.03413	2.1
57.07048	1.1
59.05018	0.8
65.03929	1.4
67.05493	13.8
69.03407	2.0
69.07066	7.2
69.93903	3.7
71.04963	2.0
79.05485	13.2
81.03411	0.6
81.06611	1.0
81.07050	12.6
83.04980	1.9
83.08595	3.0
88.28397	0.6
91.05469	28.0
91.06040	1.5
93.07031	11.3
95.04945	4.1
95.08593	9.1
97.06495	1.0
97.10161	1.4
99.08045	0.8
103.05463	1.0
105.03324	1.2
105.07008	24.6
107.04930	4.5
107.08577	8.4
109.06484	1.6
109.10130	3.3
111.08096	1.5
115.05442	3.5
116.06207	2.2
116.56579	0.7
117.07011	18.9
119.04882	1.7
119.07733	1.4
119.08567	20.0
120.07761	0.7
121.06494	3.8
121.10126	2.8
123.08052	2.2
125.09628	1.0
125.99102	0.7
128.06206	3.2
128.20274	0.7
129.06985	9.9
130.07777	2.3
131.04956	1.1
131.08551	39.9
132.05707	1.5
133.06493	5.1
133.10094	8.7
135.08046	3.3
135.11742	0.8
137.09619	1.1
141.06934	1.1
142.07794	1.9
143.07576	1.0
143.08565	11.8
144.09334	1.6
145.06456	3.3
145.10103	28.0
146.07204	0.8
147.08026	13.6
147.11653	3.4
149.09584	3.3
155.08539	1.1
157.10121	8.0
159.08040	7.7
159.11679	7.3
161.09599	9.3
161.13271	0.8
163.11133	2.7
167.08548	1.0
169.10092	1.9
171.08055	0.9
171.11661	6.1
173.09584	2.5
173.13179	1.3
175.11151	7.0
177.09048	0.9
177.12741	1.4
181.10120	2.4
183.11667	1.0
185.09586	3.0
185.13237	2.7
187.11168	2.0
189.12755	0.8
195.11690	1.6
197.13231	1.1
199.11180	3.2
199.14874	0.8
203.10551	1.5
205.12184	1.0
208.96982	0.7
213.12708	2.0
217.12067	1.1
217.15755	1.1
227.17899	2.9
231.13918	1.0
237.16393	3.1
245.18945	3.7
255.17390	10.9
273.03891	1.4
273.18448	100.0
274.18707	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	273.0752
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.33891	0.5
55.05505	0.7
55.64941	0.5
56.05013	0.5
65.03931	0.8
67.01859	2.9
67.05466	0.9
68.99776	1.8
69.03412	1.9
69.07037	0.7
70.06561	1.4
71.69914	0.8
79.01862	0.6
79.05457	0.7
81.07054	1.1
83.01325	0.8
83.04932	0.6
84.08115	1.3
85.02876	1.4
86.09663	0.5
91.05476	7.1
93.07047	0.7
95.04964	3.3
95.08601	0.7
97.02884	1.9
97.06532	0.6
105.03363	2.3
105.07029	0.9
107.01244	0.6
107.04951	3.6
107.08579	0.6
111.00771	1.0
116.07058	0.6
117.06940	0.5
119.04929	18.5
119.08435	0.5
121.02853	1.2
121.06505	1.0
123.04425	4.5
128.10684	0.6
131.04936	0.5
137.02312	0.5
142.21596	0.5
145.10107	0.7
147.04391	46.8
148.04761	0.5
151.03891	1.2
153.01808	100.0
154.02138	1.5
157.06473	0.5
161.05965	0.6
163.03998	0.6
171.02872	7.0
171.04411	3.8
171.08119	0.6
179.03398	0.8
185.05945	0.5
189.05470	2.2
195.02910	2.3
199.03899	1.2
200.23100	0.5
217.04953	1.0
219.02917	0.9
227.03336	1.1
231.06557	1.1
245.04420	4.2
255.02817	0.6
255.06494	2.1
273.03955	40.2
273.07553	79.8
274.04315	1.4
274.07895	2.4
293.08112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0379
Annotation	2-epi-5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
53.03947	0.1
55.01857	0.5
55.27998	0.1
58.21376	0.1
63.02352	0.1
65.03926	0.1
67.01847	0.2
68.99775	0.3
69.76450	0.4
69.76844	0.1
75.02382	0.1
79.01837	0.4
79.05461	0.1
81.03390	0.4
91.05460	0.1
93.03372	0.1
102.04697	0.1
103.01794	0.2
105.07009	0.3
107.01301	2.1
110.66210	0.1
114.57726	0.1
115.05428	1.5
117.96085	0.1
119.04919	0.2
121.02861	0.5
123.04405	0.3
125.02316	0.5
128.89131	0.1
131.04932	0.1
133.06479	0.3
135.04413	0.2
137.02315	0.7
137.03365	0.1
141.01779	0.2
143.04909	1.0
145.02800	0.1
147.04353	0.5
149.02338	0.1
153.01794	1.1
155.03305	0.1
157.02794	0.1
161.05965	0.8
163.03877	1.3
165.01781	0.8
167.03352	0.1
170.80017	0.1
171.04381	8.7
172.04741	0.1
173.02351	0.1
175.03860	0.3
177.01662	0.1
177.05431	0.1
183.02916	0.4
189.05449	1.7
191.03392	0.9
199.03874	2.1
201.01778	0.5
203.03360	0.3
205.83810	0.1
207.60233	0.1
216.04195	0.3
217.04930	3.0
219.02861	3.4
223.02251	0.4
227.03369	2.1
227.05646	0.1
231.02721	0.1
237.03944	0.1
244.03619	0.2
245.04419	8.3
246.04776	0.2
249.03893	0.3
255.02875	1.1
256.03738	0.1
273.03885	100.0
274.04272	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	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.80017	0.9
54.51548	0.9
55.05285	0.7
55.05503	7.1
57.07055	3.0
58.31776	0.8
67.05489	12.6
68.20834	0.8
69.07060	11.3
71.08618	1.8
71.70481	0.9
71.70863	1.2
74.03372	0.8
79.03997	1.0
79.05465	8.7
79.47839	0.8
79.54219	0.9
81.07043	29.4
83.04945	1.1
83.08612	4.4
91.05457	7.2
93.07032	20.2
95.04959	1.8
95.08585	29.2
97.10126	2.2
100.02466	0.9
105.07006	19.6
107.08579	27.1
109.10136	27.3
109.25717	0.8
117.06995	2.9
119.08559	24.4
121.10130	20.8
123.11690	9.8
126.30270	0.9
131.08525	9.9
133.10098	12.3
135.11662	12.0
137.13190	1.3
141.06932	1.7
143.08499	3.0
144.09306	1.0
145.10098	15.6
147.07964	1.2
147.11641	16.8
149.13226	12.6
157.10094	1.3
159.08105	2.0
159.11664	17.3
161.09526	1.1
161.13226	18.6
163.14790	12.4
167.08464	1.4
169.10094	2.7
173.13246	8.9
175.14793	16.6
177.16400	4.7
183.11674	1.1
185.13231	1.2
187.14781	7.4
189.16360	3.9
201.16345	10.9
203.17850	1.6
211.14735	1.0
215.17899	16.2
229.19461	4.0
229.21613	1.1
243.21078	1.4
271.05969	4.5
271.16885	3.8
271.20770	5.0
271.24158	100.0
272.24481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23245	1.2
53.03927	2.1
53.60926	1.1
55.01868	10.7
55.05500	13.1
57.03168	2.1
57.03428	28.9
57.33937	1.0
59.04995	1.2
65.03919	2.3
67.05495	58.0
69.03411	3.4
69.06734	1.5
69.07059	18.3
71.00691	1.2
71.01026	2.6
71.04986	8.9
79.05080	1.6
79.05481	18.2
81.03394	3.8
81.07044	67.1
83.04972	9.1
83.08591	4.8
84.23721	1.1
85.02879	1.9
85.06533	7.8
91.05465	47.7
93.07029	22.7
95.04947	6.3
95.08595	12.7
97.06497	4.2
99.04434	4.1
99.08054	1.3
101.06003	1.5
104.71458	1.1
105.07012	45.2
107.04932	2.2
107.08581	40.3
107.77871	1.1
109.06496	9.4
109.10137	82.3
111.04363	1.9
113.05973	4.4
117.06989	2.0
119.04961	1.2
119.08569	5.4
121.02818	4.0
121.10105	3.8
123.02680	2.5
123.08080	2.0
123.11689	13.9
127.07514	4.7
129.06966	1.5
131.04851	1.4
131.08536	4.6
133.10110	100.0
134.10420	1.5
135.11636	2.3
147.11591	1.2
149.13228	1.5
151.02058	6.5
151.11163	55.1
153.06947	1.8
155.08566	1.3
159.11674	1.9
161.09627	1.8
161.13226	2.0
165.07001	4.8
169.12233	12.5
177.01810	2.1
179.01570	7.8
179.10715	2.0
180.07759	1.8
183.08003	2.3
209.15433	1.3
211.04381	1.5
211.07498	3.1
215.12724	3.7
239.06990	1.6
243.10408	1.3
253.05226	1.9
253.14313	5.3
271.05951	10.3
271.09634	5.1
271.15341	54.2
271.24167	3.4
272.15610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1436
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05485	1.9
60.46487	0.5
67.05495	3.9
69.07035	1.2
70.05707	2.2
71.47327	0.5
79.05470	3.0
81.06686	0.5
81.07047	5.5
82.06525	0.6
83.04931	0.5
83.08612	0.7
85.06513	0.5
91.05466	3.0
93.07053	2.5
94.06547	0.7
95.04941	0.6
95.08580	1.9
96.08118	1.2
105.07007	2.3
106.06507	1.5
107.08554	1.9
108.08097	4.3
109.06516	0.8
109.10123	3.5
117.06993	0.9
118.06470	1.3
119.04881	0.5
119.08593	0.9
120.08075	0.8
121.10118	0.6
123.11646	0.8
124.07550	1.2
129.06952	0.7
133.10107	3.9
134.05981	0.8
136.07567	0.9
142.07748	0.7
143.07227	0.6
143.08557	0.7
144.08089	0.9
145.10054	0.6
147.06892	0.6
148.07545	0.9
151.11133	2.4
154.06520	1.1
155.08481	0.7
156.09268	0.9
157.10112	1.4
158.05936	1.4
158.09624	0.7
159.08005	2.3
159.09174	1.2
159.11752	0.7
168.08066	6.2
169.08868	3.6
170.09618	0.7
172.07433	0.8
181.10205	0.6
182.09631	2.6
183.10391	9.6
183.11897	0.9
185.10687	1.1
186.11455	0.7
190.97672	0.6
196.07602	3.1
197.08324	5.2
198.12758	6.3
199.08662	5.4
199.12309	1.5
200.10860	0.6
200.12955	1.3
210.09125	1.1
211.09953	6.2
212.09413	2.9
213.10184	9.7
214.10867	2.9
215.15439	3.0
226.12251	18.3
227.08228	0.8
227.11739	26.3
228.12518	21.9
229.12843	0.9
240.08868	1.5
241.09647	2.3
242.10378	1.3
242.14059	0.6
243.14912	17.9
243.17418	1.3
253.13423	2.7
253.19521	0.8
254.11696	1.5
255.11241	46.6
256.12015	51.8
257.12320	1.3
269.12796	2.5
271.06012	2.1
271.14359	100.0
272.14713	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0744
Annotation	10-Oxabenzo[def]chrysen-9-one
Peak:m/z	Relative Intensity
50.49902	1.3
55.01857	2.7
55.05495	2.7
56.05021	1.2
56.96558	1.8
57.03423	3.6
58.99298	2.4
58.99577	35.8
61.01125	2.5
65.03919	2.1
65.94016	1.1
67.05495	12.5
69.03403	3.1
69.07052	5.1
69.41914	5.6
69.42350	7.5
70.02940	1.8
70.06564	3.7
71.04984	3.2
72.08118	1.3
73.01133	4.0
76.03994	5.7
79.05479	4.8
81.03405	2.0
81.07053	9.4
82.06554	2.8
83.04967	2.8
83.08601	2.0
84.04482	2.9
84.08127	2.0
84.94473	1.3
85.02908	2.5
86.00671	1.5
86.99046	23.5
88.02195	8.7
91.05472	22.7
92.04977	1.9
93.07026	4.6
95.04959	3.7
95.08585	3.9
97.01091	3.3
98.00630	2.4
98.09673	1.5
98.97583	1.5
99.02683	1.7
105.07014	3.6
107.04966	1.6
107.07317	3.4
107.08563	2.7
109.10151	5.5
110.06032	43.5
112.02176	7.8
113.04276	1.6
116.01669	93.5
117.05753	1.9
119.08563	2.0
121.10159	2.0
125.00554	3.4
125.02991	1.6
129.16811	1.2
131.04912	1.7
133.06535	1.9
133.10112	3.9
134.05981	1.7
134.99631	1.6
135.08031	1.6
135.11578	2.2
137.05977	2.9
137.09550	1.6
140.05273	32.9
142.03206	15.7
144.01138	18.6
145.06100	4.2
146.99632	1.5
149.01233	1.4
150.03712	20.4
151.11153	2.0
153.06982	1.9
162.02182	21.2
165.07011	5.0
168.04767	100.0
173.05939	1.4
179.03395	2.1
181.06503	1.5
183.08020	3.4
184.04208	1.4
196.04306	4.8
197.05891	2.5
197.07439	6.0
211.07538	2.9
214.05423	3.1
215.03456	1.4
220.51784	1.4
225.07033	8.2
228.04124	1.5
243.07997	60.2
244.08183	1.5
253.07091	2.4
256.03674	1.8
271.07373	48.0
271.15344	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	271.0596
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.91816	0.1
59.67369	0.1
65.03917	0.1
65.90356	0.1
67.01856	1.8
67.05497	0.1
68.99770	1.3
69.07063	0.1
69.77483	0.8
73.17915	0.1
81.03414	0.2
91.05460	1.7
93.07007	0.2
95.04896	0.1
97.02888	0.2
97.06470	0.1
105.07009	0.1
111.00771	0.3
112.02142	0.3
119.04921	5.7
121.02843	2.3
124.43357	0.1
127.03861	0.2
128.06136	0.1
129.01837	0.5
133.10085	0.1
140.01595	0.2
141.06931	0.3
145.02800	1.4
149.02245	0.1
153.01797	11.0
157.06458	0.2
163.03888	1.0
165.06995	0.3
169.06448	0.3
169.78899	0.1
171.02840	1.4
173.05896	0.2
177.01836	0.5
183.08032	0.2
185.05885	0.1
187.03873	0.4
187.07480	0.2
195.02859	0.2
197.05914	0.4
201.05560	0.1
202.06300	0.1
203.07092	0.2
214.05280	0.2
225.05356	0.7
229.04944	0.5
243.06433	1.0
253.04814	0.2
269.63708	0.1
271.05957	100.0
272.06284	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	269.2109
Annotation	Epijuvabiol
Peak:m/z	Relative Intensity
51.71964	1.4
53.03921	2.3
55.01850	3.0
55.05508	26.5
57.03421	4.9
57.07047	2.9
59.49007	1.3
65.03931	2.2
67.05501	86.6
68.05833	1.8
69.07060	21.7
70.83103	4.0
71.04984	17.6
79.05490	38.6
81.07047	100.0
83.04966	3.8
83.08607	14.1
85.06550	8.8
86.56091	1.3
88.24637	1.7
91.05470	27.8
93.07037	54.3
95.04959	3.8
95.08597	90.3
97.06519	12.7
97.10139	13.4
99.08098	1.8
105.07004	15.9
107.08582	34.4
109.06508	3.8
109.10149	45.2
111.08066	5.5
111.11700	1.9
117.07030	9.0
119.08565	19.3
121.06490	8.1
121.10125	29.8
123.08068	3.9
123.11702	16.6
125.09595	1.8
127.07582	1.5
131.08542	17.4
133.10117	29.9
135.08044	9.7
135.11693	18.0
137.09608	11.3
137.13226	6.3
139.07489	2.6
141.09097	2.0
142.49008	1.5
145.10126	9.7
147.11691	7.5
149.09642	8.5
149.13235	11.6
151.11179	13.0
153.09061	8.6
159.11674	12.4
161.13237	2.2
163.11148	2.6
165.12738	2.6
167.10667	3.2
167.14563	1.6
169.12228	2.3
173.13222	6.7
177.12775	3.3
181.12209	3.6
187.14778	4.3
189.16415	4.0
191.18008	9.9
195.13754	4.6
203.80327	1.6
205.19435	1.6
215.17938	32.5
233.18983	13.8
251.20061	18.2
262.41556	1.5
269.17548	3.9
269.21097	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	269.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01854	3.3
55.05242	1.3
55.05505	25.2
56.96548	1.6
57.03416	4.3
57.07066	8.0
61.02895	1.2
65.03918	2.1
67.05495	86.8
69.03412	3.8
69.07056	28.3
69.40466	8.3
69.40877	2.9
71.04979	17.0
71.08611	3.5
76.28631	1.1
79.05480	39.8
81.07042	95.9
83.04964	4.2
83.08611	16.3
84.95947	1.1
85.02876	5.3
85.06535	7.4
85.10188	1.0
87.04435	1.8
91.04926	1.5
91.05468	24.8
91.58176	1.0
92.55132	1.1
93.07030	49.0
95.04915	2.6
95.08590	100.0
97.02862	3.0
97.06516	10.6
97.10152	8.3
98.97573	1.5
99.08088	3.1
105.07008	13.4
106.04491	1.0
107.08582	28.5
109.06494	3.1
109.10143	51.5
110.66744	1.0
111.04391	1.4
111.08092	5.2
111.11700	3.4
113.09615	1.3
117.07019	6.4
119.08559	10.5
121.06442	1.5
121.10136	37.1
123.08050	2.1
123.11691	12.9
125.05983	1.8
125.09602	1.3
131.08563	12.6
133.09166	1.6
133.10109	16.3
135.08011	5.8
135.11671	28.2
136.06175	1.6
137.09605	5.9
137.13214	4.6
139.07458	1.3
139.11177	1.4
143.62227	1.0
145.10123	6.7
147.11659	6.0
149.09560	4.1
149.13217	12.7
151.11159	6.6
153.09032	2.4
155.14215	1.5
159.11690	9.3
163.11186	2.2
163.14810	2.3
167.10670	1.7
173.13237	5.6
175.14700	1.2
177.12717	3.5
181.12222	2.3
187.14853	2.2
187.64043	1.0
189.16316	2.2
191.17921	23.6
192.26015	1.1
195.13791	3.3
205.19496	2.2
208.05573	1.2
209.18979	14.8
215.17937	15.7
219.46426	1.0
223.20505	1.4
224.03525	1.1
227.20035	2.6
228.06956	1.1
233.18970	8.5
237.02774	1.7
248.15140	1.1
249.07050	3.1
251.20021	16.1
258.07492	2.2
269.07941	1.5
269.17587	5.8
269.20905	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	269.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.8
55.01857	2.3
55.05505	20.7
57.03428	32.8
57.07055	5.0
64.06888	1.3
65.03893	2.2
66.86418	1.1
67.05493	76.7
69.07051	29.9
71.04966	5.7
71.08600	2.1
71.15004	3.6
79.05479	46.8
81.03397	2.1
81.07043	100.0
83.04968	8.5
83.08598	16.3
85.06515	5.4
91.05466	24.2
93.07027	67.7
94.94897	1.1
95.04948	6.3
95.08588	25.5
97.06502	16.1
97.10150	2.0
99.08074	4.1
105.07007	7.9
107.08579	38.1
109.06496	2.4
109.10120	3.7
111.08092	8.4
113.05962	1.4
117.07000	9.3
119.08536	2.0
121.06490	1.8
121.10129	23.3
123.11694	2.7
128.00893	1.2
131.08540	11.6
133.10106	11.1
135.08051	1.4
135.11684	11.0
149.13232	46.4
159.10382	1.9
159.11682	22.8
160.11909	1.4
167.14320	1.4
177.12737	12.0
195.13802	11.3
213.14735	1.8
263.92728	1.1
269.17410	44.8
269.22348	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.7
55.01852	2.1
55.05503	22.0
57.03426	31.7
57.07058	2.3
65.03914	3.7
67.05497	83.5
67.12100	1.4
69.07061	30.0
71.04972	5.6
71.15141	4.6
79.05482	46.6
81.03419	2.4
81.07043	100.0
83.04974	9.4
83.08613	20.3
85.06514	5.3
86.10227	1.8
91.05468	26.3
93.07031	73.6
95.04935	7.2
95.08590	25.5
97.06513	20.4
97.10152	3.1
99.08074	4.7
105.06992	7.6
107.08578	36.5
109.06496	3.9
109.10143	5.4
111.08058	10.8
117.06995	12.3
119.08548	4.6
121.10127	20.6
123.11681	4.4
131.08530	12.1
133.10106	12.7
133.85309	1.6
135.07988	2.4
135.11664	10.8
139.11050	2.0
147.11662	2.6
149.12108	3.0
149.13235	45.4
159.11653	21.7
167.14267	3.3
177.12744	14.1
179.14244	1.7
187.06377	1.7
195.13765	15.6
201.01813	2.7
224.37514	1.6
227.07025	1.8
269.08057	2.2
269.17432	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	3.4
55.01851	4.0
55.05505	21.2
57.03432	35.4
57.07059	3.6
57.24127	1.1
59.51399	1.0
65.03936	2.6
67.05499	79.1
69.03405	1.0
69.07062	28.6
69.60828	1.0
71.04995	6.0
71.15459	3.1
79.05486	49.9
80.05816	1.1
81.03396	3.4
81.07047	100.0
83.04968	11.0
83.08172	1.5
83.08611	19.6
85.06524	6.1
91.04925	1.4
91.05470	26.1
93.07034	71.7
95.04962	7.9
95.08591	23.3
97.06514	18.2
97.10113	2.0
99.08056	3.8
105.04504	1.5
105.07011	8.8
107.08580	36.1
109.06488	3.2
109.10119	3.7
111.08079	11.1
117.07003	11.4
119.08548	2.4
121.06480	1.7
121.10139	20.8
123.11676	3.0
131.08537	12.6
133.10103	12.0
135.07999	2.2
135.11691	11.4
139.11125	1.5
147.11674	1.5
149.13248	42.5
151.11145	2.5
159.11690	23.7
161.13278	1.7
167.14366	1.2
177.12715	11.0
195.13774	13.7
213.14882	1.8
222.33627	1.1
225.65324	1.1
269.17410	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	3.0
55.01846	3.1
55.05502	21.3
57.03425	35.7
57.07051	2.1
65.03921	2.5
67.05492	80.1
68.05773	1.1
69.07055	32.0
69.40524	6.3
69.40951	3.4
71.04980	6.5
71.08619	1.3
79.05478	49.8
81.03388	2.0
81.07040	100.0
82.07389	1.3
83.04972	8.8
83.08604	21.0
84.76167	0.9
85.06529	5.7
91.05459	19.0
93.07027	70.7
95.04959	7.2
95.08588	25.7
97.06506	14.3
97.10112	1.5
98.21489	1.6
99.08057	4.3
104.10367	1.0
105.04496	1.0
105.06999	9.0
107.08574	36.3
109.06462	3.0
109.10110	4.4
111.04455	1.1
111.08055	11.0
111.11707	1.6
111.79462	0.8
113.09655	1.4
117.06999	9.6
119.08542	2.3
121.06445	0.9
121.10122	24.9
123.11665	2.0
127.07532	1.0
131.08539	10.3
133.10120	8.0
135.08018	2.5
135.11685	10.0
139.11171	1.6
147.11612	1.6
149.13226	54.1
150.13612	1.5
151.11212	1.0
159.11656	19.5
167.14320	1.2
177.12766	10.1
195.13795	10.5
269.17432	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.7
55.01849	1.8
55.05502	21.4
56.41977	1.4
57.03165	2.5
57.03426	36.9
57.07060	4.3
60.52372	1.5
65.03916	3.1
65.86855	1.7
67.05493	76.4
69.07061	30.5
69.83937	6.9
69.84344	3.8
71.04959	6.5
73.28812	1.7
79.05026	2.8
79.05482	50.3
81.07042	100.0
82.96849	1.7
83.04959	5.2
83.08609	21.6
85.06514	5.5
91.05469	23.5
93.07027	68.4
95.04932	7.1
95.08593	23.5
97.06519	17.1
97.10154	2.1
97.82829	1.7
99.08069	3.7
105.07001	11.0
106.61303	1.5
107.07906	3.0
107.08581	37.3
109.06518	3.3
109.10159	4.5
109.84197	1.7
111.08063	10.4
115.05534	1.5
117.06993	12.4
119.08525	3.1
121.10117	23.1
123.08029	1.6
123.11680	5.0
131.08554	11.8
133.10100	12.9
135.11671	12.6
139.11150	3.1
149.13232	44.9
149.14444	2.3
151.11119	2.2
159.11665	25.2
177.12718	12.3
195.13773	18.4
269.17435	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02360	1.0
53.03929	3.4
54.77791	0.9
55.01858	2.5
55.05502	19.9
57.03430	25.9
57.07058	2.9
57.30903	0.9
65.03922	2.5
67.05494	81.3
69.03398	1.3
69.07056	24.7
69.72054	1.0
71.04980	6.8
71.08125	1.4
71.08484	2.2
77.03956	1.1
79.05482	48.7
81.03389	1.7
81.07042	100.0
82.07400	0.9
83.04971	6.5
83.08604	17.4
85.06518	6.1
91.04921	1.7
91.05469	31.4
91.06039	2.1
93.07028	65.3
95.04970	6.4
95.08006	1.9
95.08590	33.7
97.06513	16.8
97.10132	2.3
99.08085	3.6
105.04530	1.2
105.07016	10.0
107.08578	31.4
109.06481	4.0
109.10135	7.6
111.08073	7.3
113.09666	2.0
117.07007	11.4
119.08540	3.8
120.13745	1.1
121.06478	2.9
121.10106	18.3
123.08081	1.7
123.11674	4.4
125.09668	1.3
131.08551	12.1
133.10124	16.6
135.08000	3.1
135.11682	10.9
137.09599	1.8
139.11121	1.3
145.10104	1.0
146.58400	0.9
147.11653	1.9
149.09593	2.2
149.13223	37.2
151.11113	4.2
159.11668	25.2
161.13237	1.8
165.12654	1.3
167.14267	1.8
173.13318	1.0
177.12737	9.8
179.14236	1.4
191.18079	1.0
195.13757	12.3
213.14783	1.1
215.17938	1.9
233.02901	0.9
233.18930	1.2
269.17435	47.6
270.17703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1741
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.37111	1.1
53.03922	3.6
55.01849	3.1
55.05279	2.0
55.05503	21.8
57.03426	35.4
57.07043	2.4
60.28411	1.2
64.11198	1.1
65.03914	2.5
67.05492	79.4
69.07057	25.1
70.10098	2.7
70.10508	5.5
70.99716	1.1
71.04981	6.9
79.05479	49.2
81.03403	2.3
81.07041	100.0
83.04957	11.8
83.08602	19.3
85.06512	6.6
91.04924	2.0
91.05458	27.7
93.07027	71.5
95.04951	8.1
95.08588	23.0
97.06518	18.0
97.10154	2.1
98.20759	1.6
99.08054	4.1
105.07015	9.1
107.08572	35.1
109.06489	3.4
109.10138	4.8
111.08077	9.0
111.11707	1.4
113.05926	1.5
117.06998	10.3
119.08558	2.3
121.06512	2.4
121.10122	18.4
123.11667	3.2
131.08546	10.4
133.10098	13.5
135.08084	2.3
135.11688	11.3
139.07426	1.4
139.11087	1.4
144.09334	1.3
145.25677	1.2
147.11684	2.1
149.09651	2.4
149.12111	2.5
149.13234	40.3
151.11139	2.3
159.11656	23.8
161.13306	1.8
177.12743	11.7
179.14297	1.8
195.13762	16.0
213.14856	2.1
269.17432	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03918	5.3
55.01851	3.3
55.05282	1.5
55.05507	19.6
57.03167	2.0
57.03429	36.2
57.07050	3.5
65.03928	2.1
67.05492	74.5
69.06747	2.0
69.07062	25.9
69.90108	11.1
71.04959	6.6
77.03929	1.8
79.05481	46.6
81.03378	1.9
81.07045	100.0
82.87853	1.5
83.04967	9.3
83.08607	19.4
85.06522	6.2
85.40723	1.6
91.05468	24.1
93.07032	70.0
95.04941	7.0
95.08588	21.6
97.06525	15.5
97.10162	2.9
99.08059	4.9
105.06410	1.5
105.07014	9.2
107.08585	31.0
109.06466	3.1
109.10128	3.9
110.38984	1.6
111.08045	9.9
117.07010	9.9
119.08573	2.6
121.06477	2.5
121.10130	17.7
123.11677	2.7
131.08560	11.9
133.10121	14.3
135.08034	2.3
135.11702	11.9
139.11145	2.7
147.11641	2.3
149.13235	40.2
150.17476	1.7
151.11115	1.6
159.11691	23.9
161.13274	2.1
177.12730	11.2
181.71774	1.6
195.13800	13.1
213.14716	1.8
236.02565	1.8
236.44737	1.6
252.23462	1.5
268.42401	1.7
269.17441	56.2
286.47711	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03922	4.8
55.01850	3.9
55.05502	24.8
57.03425	37.5
65.03938	4.8
67.05492	91.6
69.07052	30.0
70.22293	3.1
70.22689	5.0
71.04981	6.1
79.05480	56.2
81.07042	100.0
82.07380	2.3
83.04963	15.0
83.08598	22.7
85.02847	2.4
85.06522	7.9
91.05462	32.9
93.07027	76.6
95.04980	9.3
95.08591	29.8
97.06508	20.8
97.10167	1.8
99.08060	4.3
105.07031	9.4
107.08577	40.2
109.06490	5.5
109.10130	4.7
111.08064	7.5
117.07019	12.9
119.08533	2.4
121.06480	2.3
121.10118	18.3
123.11697	4.4
131.08554	15.3
133.10103	12.8
135.08066	2.2
135.11652	11.9
139.11272	2.9
140.68462	1.9
149.13237	42.1
159.11676	24.3
177.12685	11.4
195.13812	13.9
213.14911	2.1
269.17422	56.2
270.17932	2.6
277.47903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03934	3.5
55.01851	3.5
55.05278	1.9
55.05505	24.8
57.03163	2.2
57.03429	32.7
57.07063	2.2
65.03918	2.2
67.05494	77.8
69.07056	31.0
69.85580	4.4
69.86013	5.8
71.04989	7.7
79.05480	45.9
81.03419	2.2
81.07045	100.0
83.04973	10.5
83.08607	19.9
85.06524	8.3
88.07809	1.4
91.05467	26.5
93.07032	69.1
95.04967	8.8
95.08597	25.8
97.06511	16.5
97.10161	2.7
98.21432	1.8
99.08075	4.6
105.07012	10.5
107.07907	2.7
107.08582	34.4
109.06493	4.0
109.10139	4.3
111.08054	8.7
117.07022	9.2
119.08614	2.9
121.10134	19.9
123.11684	4.9
131.08562	12.0
133.10120	14.8
135.08063	2.6
135.11655	11.9
149.13232	46.1
151.11220	1.7
159.11667	20.2
177.12746	10.6
178.35785	1.5
185.52629	1.5
193.44478	1.7
195.13806	12.3
269.17456	52.3
270.18054	2.0
280.59677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01848	3.9
55.05504	21.5
57.03158	2.0
57.03430	37.1
57.07053	3.9
61.72624	1.2
65.03922	2.5
67.05498	81.0
68.34485	1.2
69.06689	2.1
69.07057	31.4
70.32387	6.1
71.04983	7.8
79.05484	48.4
81.03407	2.2
81.07046	100.0
83.04981	10.6
83.08610	17.4
85.06522	4.8
91.05466	22.7
93.07034	73.2
95.04958	6.1
95.08601	28.7
97.06516	14.0
97.10153	2.1
99.04417	1.3
99.08080	4.5
100.44477	1.3
105.04534	2.0
105.07036	9.1
107.08584	37.1
109.06497	4.5
109.10157	3.0
111.08069	9.1
111.11700	1.4
117.07023	11.1
119.08566	2.2
121.06500	1.5
121.10120	23.4
123.08053	1.4
123.11723	3.6
131.08563	11.9
133.10132	10.7
135.08023	1.8
135.11667	10.6
147.11702	2.7
149.13234	42.3
159.11681	17.8
168.80258	1.2
177.12755	8.7
195.13808	13.1
213.14873	1.6
269.17438	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02362	1.6
53.03928	4.2
53.37742	1.3
55.01852	1.9
55.05501	23.6
57.03170	2.3
57.03428	37.3
57.07043	3.3
65.03910	3.0
67.05496	83.7
69.06688	1.9
69.07056	33.4
69.43579	16.6
71.01351	1.5
71.04977	8.3
74.66725	1.4
79.05030	3.4
79.05479	58.9
81.03396	2.6
81.07042	100.0
82.72511	1.4
83.04963	12.8
83.08607	19.6
85.06502	5.6
91.05470	27.8
93.07030	79.6
95.04939	9.0
95.08018	1.6
95.08593	27.2
97.06522	16.0
97.10095	2.4
98.21471	3.2
99.08052	4.4
105.07007	9.2
107.08575	43.4
109.06501	4.2
109.10128	3.6
111.08047	10.2
113.05963	2.1
117.06977	14.1
119.08534	2.5
121.06467	1.7
121.10113	19.6
123.11687	2.6
131.08531	9.9
132.08780	1.9
133.10106	13.6
135.08015	2.1
135.11678	16.5
139.11104	1.7
147.11610	1.9
149.13232	42.3
151.11198	2.6
159.11670	22.0
165.25987	1.5
177.12730	13.1
195.13791	16.3
220.01987	1.4
236.16382	1.4
268.02408	1.4
269.17416	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	2.8
55.01867	2.7
55.05270	1.6
55.05502	18.2
57.03160	2.3
57.03425	30.5
57.07053	4.3
63.00848	1.2
67.05492	73.1
69.07058	25.8
69.43832	12.5
71.04974	5.4
71.08613	2.1
73.02904	1.5
79.05022	2.2
79.05479	44.4
81.03397	1.5
81.07043	100.0
83.04977	8.6
83.08601	18.5
85.06519	4.9
91.04926	2.4
91.05462	26.5
93.07026	70.1
95.04951	8.2
95.08586	21.5
97.06515	14.3
97.10144	1.7
97.76852	1.3
98.21412	2.4
99.08066	3.2
105.07018	9.1
107.08573	39.2
109.06499	2.4
109.10128	3.7
111.08060	8.7
117.06996	10.5
119.08566	1.6
121.06476	2.6
121.10136	16.3
123.11680	3.5
125.09621	1.3
131.08563	12.0
132.32471	1.2
133.10121	13.2
135.08011	2.5
135.11673	10.2
139.07513	1.3
139.11140	1.8
147.11661	2.3
149.13234	45.8
150.13635	2.2
151.11189	2.1
159.11676	25.3
161.13356	1.7
162.92570	1.3
167.09201	1.0
167.14278	1.7
177.12717	12.4
195.13780	13.3
213.14890	2.1
269.17429	48.0
270.17853	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	269.1741
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	3.2
55.01860	3.5
55.05499	18.0
57.03164	1.8
57.03426	33.3
57.07058	3.5
62.66003	1.8
67.05493	78.1
69.07056	28.3
69.40129	17.5
71.04974	3.6
77.03908	1.8
79.05479	42.8
81.07042	100.0
83.04959	9.3
83.08597	17.3
85.06528	5.1
88.63944	1.7
91.05460	26.8
93.07025	64.1
95.04948	6.3
95.08580	24.5
97.06506	16.2
97.10138	1.9
99.08052	3.2
105.07010	10.7
107.04954	2.2
107.08575	33.8
109.06473	3.9
109.10156	4.7
111.08040	11.7
113.05995	1.9
117.06992	9.7
119.08550	2.9
121.10122	15.8
123.11664	3.3
129.35161	1.6
131.08527	11.9
133.10100	13.9
135.07965	2.6
135.11665	10.1
139.11130	1.8
149.13223	41.8
154.99217	1.7
159.11673	18.9
160.58415	1.7
177.12726	12.7
195.13768	13.9
201.35222	1.6
213.97017	1.5
241.30797	1.6
261.74823	1.6
269.17404	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.07170	1.0
53.03928	2.5
54.84010	1.0
55.01850	2.2
55.05503	18.2
55.60968	0.9
57.03426	32.6
57.07046	3.1
64.83564	0.8
65.03907	3.2
66.02966	1.0
67.05492	70.1
69.06701	1.9
69.07054	28.7
71.04973	7.1
71.31058	1.2
71.31406	1.3
79.05023	2.2
79.05478	43.8
79.18031	1.0
81.03381	1.8
81.07043	100.0
83.04963	7.9
83.08602	17.6
85.06529	6.3
91.05462	22.7
93.07025	64.6
95.04961	7.1
95.08009	1.3
95.08591	22.5
97.06516	15.3
97.10144	2.8
99.08040	3.6
105.04514	1.3
105.06997	9.2
107.08572	35.3
109.06474	2.5
109.10126	3.4
111.08064	9.5
113.05979	1.6
117.06990	9.3
119.08556	1.8
121.06479	1.5
121.10120	18.4
122.26962	1.0
123.11662	3.2
129.07005	1.2
131.08549	12.5
132.90959	0.9
133.10095	13.1
135.08008	1.6
135.11649	9.5
139.11128	2.4
147.11642	1.8
149.13222	38.5
151.11115	2.8
159.11690	18.1
167.14224	1.8
170.69325	1.2
177.12723	9.6
195.13792	13.5
213.14821	1.6
216.99942	1.2
235.74872	1.1
269.17422	40.1
270.17822	1.7
292.66037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
71.68668	6.6
74.87096	4.3
84.46378	3.8
93.40720	3.9
94.93013	10.8
113.40909	3.5
122.55864	3.7
134.61021	3.5
134.96071	12.1
136.93993	7.5
148.93947	4.9
162.95581	7.6
164.93495	19.8
176.93513	9.2
178.95047	7.9
188.93526	6.5
191.79068	5.7
194.50499	3.9
250.93411	6.2
268.94662	45.7
268.98245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33214	0.9
53.03935	2.7
55.01851	2.1
55.05503	19.3
57.03411	3.0
57.07047	1.7
59.04979	2.9
59.19324	0.9
65.03915	1.8
67.05499	5.8
67.81319	0.9
69.03403	1.2
69.07055	3.0
71.04984	6.9
71.08614	5.0
71.69728	1.4
73.06540	1.9
79.05483	26.0
81.03400	2.0
81.07047	100.0
83.04971	67.3
84.05305	1.0
85.02888	2.4
85.06548	9.1
91.05466	3.0
93.07014	4.0
95.04955	2.0
95.08613	4.8
97.02898	1.3
97.06499	1.9
99.04450	1.4
99.08084	5.3
101.06010	1.8
105.07002	2.1
107.08571	2.7
109.06506	52.3
109.10129	2.0
110.07105	1.7
111.04428	22.7
113.09629	2.3
119.08553	1.2
121.03959	1.5
121.10124	3.2
123.10039	1.2
127.07539	6.0
129.05478	1.0
131.08521	1.9
133.10106	1.2
135.08017	1.6
135.11655	1.5
136.06151	1.6
137.05971	1.0
139.03893	1.6
141.09085	41.7
145.08586	3.9
145.10115	1.2
153.05455	1.7
153.57062	1.1
159.10120	1.9
163.07541	1.4
163.11075	1.8
187.09607	2.4
191.07013	2.0
193.12228	3.0
195.10092	1.4
201.05415	1.1
209.11667	4.2
219.06616	2.2
221.04976	1.0
225.16737	3.9
233.99246	1.3
237.11205	1.3
241.14352	1.9
251.09091	3.8
269.13849	7.6
269.19370	3.3
271.89444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.6
54.56472	1.5
55.01865	3.7
55.05498	22.9
55.26945	1.4
57.03426	31.1
57.07055	3.0
65.03918	2.6
67.05494	77.2
69.03403	1.7
69.07054	28.8
70.95029	2.1
70.95371	2.5
71.04977	6.6
79.05482	44.5
81.03407	1.9
81.07041	100.0
83.04958	9.6
83.08601	18.2
85.06518	7.0
91.05464	27.3
93.07027	75.4
95.04945	4.8
95.08588	24.7
97.06515	15.9
97.10158	2.7
99.08070	3.7
105.07009	10.8
107.07907	3.0
107.08578	34.2
109.06508	4.6
109.10117	3.6
111.08067	10.1
115.05399	1.5
116.01606	1.6
117.07016	11.2
119.08549	3.1
121.10128	22.3
123.11709	3.5
131.08534	11.0
133.10085	14.7
135.08008	3.6
135.11665	12.6
139.11203	3.1
149.13234	46.8
149.14441	2.3
151.11197	2.4
159.11678	22.8
177.12730	11.2
195.13780	14.0
215.05064	1.7
269.17429	40.0
269.22391	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01863	0.3
57.03430	0.5
61.02892	0.1
65.06519	0.1
69.03421	0.2
71.01355	0.2
71.23006	0.1
71.23345	0.2
73.02914	0.3
75.03997	0.1
75.04499	0.1
75.25371	0.1
85.02895	0.4
86.56727	0.1
92.88639	0.1
94.04042	0.3
94.90562	0.1
97.02901	0.2
102.26892	0.1
115.03910	0.2
119.03561	0.7
121.31449	0.1
133.04964	0.2
136.06166	100.0
137.04576	0.4
137.06625	0.8
144.61374	0.1
152.65593	0.1
176.78653	0.1
268.10364	4.5
268.94653	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.45561	0.3
54.94674	0.2
55.01845	0.3
55.20823	0.2
57.03400	0.3
57.26957	0.2
70.42023	0.9
71.01354	0.3
94.03984	0.6
118.35119	0.2
119.03519	1.1
121.26260	0.3
136.06168	100.0
137.04597	0.6
137.06560	0.3
140.41733	0.2
158.19864	0.3
205.71220	0.3
263.79266	0.3
268.10333	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	268.154
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
55.50546	0.4
56.96554	0.9
60.25966	0.5
67.78497	0.5
69.03396	0.8
70.06579	0.9
70.31430	2.5
73.24951	0.5
84.04500	0.7
84.08125	2.2
85.02926	0.7
94.04111	0.5
96.04471	0.5
107.04932	0.6
110.06044	0.6
110.07164	1.1
123.04416	0.6
123.59062	0.5
124.03920	1.2
128.06218	0.7
131.08469	0.7
133.06470	0.6
136.06166	100.0
137.04597	0.6
137.06563	0.6
143.08566	1.7
145.06451	0.6
159.08026	1.3
160.05099	0.6
160.11209	1.0
161.05940	1.9
164.07045	3.0
169.10063	0.5
171.08031	2.1
174.06776	0.6
176.06993	0.7
177.07825	24.1
188.10738	1.7
189.09146	1.1
190.92172	0.6
206.11731	94.3
207.12242	1.1
232.25545	0.5
250.11760	0.8
250.14357	16.4
251.14853	0.5
268.07983	1.2
268.10696	4.8
268.15390	24.0
270.95551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1951
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.7
55.05499	4.5
65.03922	0.9
67.05492	14.6
69.03420	100.0
69.07055	5.2
71.04951	1.4
71.71468	1.4
79.05481	9.2
81.03416	2.3
81.07043	19.5
83.04980	2.1
83.08611	2.4
83.50970	0.7
85.06547	1.0
87.04423	0.9
91.05463	12.0
93.07027	10.6
95.04955	2.4
95.08595	11.6
97.06525	10.4
97.10170	1.0
98.98500	1.3
99.08073	0.8
100.46225	0.6
105.07023	9.3
105.17112	0.6
107.08586	7.5
109.06508	5.2
109.10148	6.8
111.04439	1.9
111.08066	2.2
117.07011	0.7
119.08561	4.9
121.06511	1.5
121.10118	5.0
123.08067	4.3
123.11729	2.6
125.06013	0.8
127.07541	1.0
129.06998	1.6
131.08565	2.2
133.10118	17.5
135.08099	0.8
135.11705	2.1
136.06140	4.6
136.57413	0.6
137.09554	3.2
142.62701	0.7
143.08524	1.4
145.10176	0.8
147.11678	4.9
149.09627	4.0
149.13292	2.2
151.11159	4.8
155.84996	0.7
157.10104	1.7
159.11685	0.8
161.09590	0.8
161.13326	0.9
163.14845	0.6
165.12756	1.4
165.16393	0.7
167.14334	0.7
175.11232	1.9
175.14798	1.2
189.16371	4.2
193.12251	1.3
199.14772	4.2
207.17416	5.5
211.10898	0.6
217.15862	5.0
234.16373	0.6
235.16904	24.6
267.15811	1.2
267.19598	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	267.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99818	1.1
55.01849	1.9
55.05507	5.9
56.96554	1.7
57.03428	2.4
57.07064	1.3
67.05492	15.0
68.94709	1.0
69.03418	100.0
69.07075	6.3
71.04970	1.5
79.05482	13.2
81.03409	5.3
81.06599	2.0
81.07045	25.1
83.08597	3.2
85.06518	2.9
91.05466	14.7
91.53453	1.1
93.07031	13.1
95.04932	3.9
95.08591	16.6
97.06516	13.3
97.10146	1.9
98.98473	5.8
105.07021	8.9
107.08575	8.7
109.06498	5.8
109.10152	7.1
111.04469	1.8
111.08070	3.9
119.08578	7.8
121.06520	1.9
121.10126	6.7
123.08070	6.4
123.11659	3.1
125.05918	1.2
129.06990	3.1
131.08549	3.6
133.10112	20.9
135.11592	1.4
136.06146	6.1
137.09619	3.8
141.34084	1.1
147.11659	5.4
149.09612	3.5
149.13254	3.2
151.11107	7.2
157.10149	1.8
159.11766	1.5
165.12668	1.1
166.86746	1.2
175.11308	2.2
175.14847	2.0
189.16362	4.8
193.12198	1.5
199.14796	4.3
207.17429	4.7
217.15889	5.9
235.16884	29.4
267.16092	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	267.1588
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
53.03930	5.0
55.01857	3.0
55.05265	1.1
55.05503	10.9
55.34046	0.9
57.03432	21.2
65.03944	1.0
67.05494	23.4
69.03410	3.2
69.07048	5.9
70.05982	1.7
70.06403	3.3
71.01354	0.8
71.04968	3.8
72.08141	1.3
79.05479	21.7
81.03405	100.0
81.07043	27.1
83.04973	7.6
83.08605	15.5
85.06508	1.8
91.05465	28.8
91.06035	1.6
93.07025	11.5
95.04951	25.8
95.08595	9.2
97.02874	2.9
97.06516	3.7
97.10133	2.5
99.04444	1.1
99.08072	1.8
103.03911	1.6
103.05398	1.7
105.03378	1.1
105.07011	21.4
107.04937	6.9
107.08585	6.3
107.69016	0.9
109.06508	6.0
109.10121	3.3
111.04430	2.3
111.08064	7.0
115.05428	2.0
117.06981	1.8
119.04913	1.0
119.08565	18.4
121.06492	2.9
121.10123	8.7
123.08041	3.3
123.11703	2.9
125.05939	1.6
125.09599	0.9
127.03887	1.0
129.06987	11.0
131.08553	11.1
133.06477	2.1
133.10103	10.5
135.11647	1.1
136.06151	3.5
137.09602	2.6
142.07724	2.3
145.10095	2.5
147.07941	4.0
147.11665	13.0
149.09569	5.3
151.11189	1.1
157.10103	14.8
159.07980	0.9
161.05914	1.3
163.11281	0.8
165.12750	4.3
173.13113	0.9
175.11148	12.8
193.08507	1.2
193.12228	22.1
211.13326	3.9
241.02173	0.9
249.11037	1.2
249.14893	1.6
267.15878	55.5
268.16306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.195
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03924	1.1
55.01868	1.5
55.05490	4.1
56.87580	0.8
57.03422	2.0
57.07035	1.0
61.26644	0.9
63.04728	0.7
67.05492	14.9
69.03417	100.0
69.07056	5.7
70.60249	3.3
71.05016	1.5
79.05480	8.6
81.03396	4.2
81.07040	22.8
83.04969	3.0
83.08597	3.5
85.06525	1.9
91.05466	14.4
93.07030	12.8
95.04950	3.7
95.08589	13.1
97.06516	10.0
97.10173	1.4
98.98445	3.7
99.08098	0.9
100.65364	0.9
105.07022	10.4
107.08582	8.8
109.06509	6.2
109.10149	8.2
111.04438	3.0
111.08056	2.4
117.06997	1.5
119.08565	6.4
121.06516	1.1
121.10107	6.7
123.08044	5.2
123.11667	2.9
125.09544	1.3
127.07535	1.1
129.06966	1.9
131.08557	2.3
133.10110	18.4
135.08038	1.3
136.06142	6.0
137.09604	4.6
145.10048	1.1
147.11688	6.3
149.09560	3.3
149.13255	1.9
151.11189	4.8
157.10143	3.2
161.13048	1.0
165.12750	1.6
171.11623	0.8
173.13266	1.3
175.11162	2.3
189.16380	4.8
193.12221	1.3
199.14790	3.3
207.17412	4.3
217.15828	4.8
235.16876	26.9
246.37402	0.8
261.35074	0.9
267.15707	1.7
267.19492	3.3
271.12482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.05484	0.4
56.04999	0.5
62.54534	0.4
62.85735	0.4
67.05489	1.6
70.06574	1.0
81.03394	0.5
83.04916	0.4
88.03972	0.7
91.05487	0.5
94.06556	7.7
95.04970	0.5
95.07348	0.4
106.06530	1.4
106.60878	0.4
110.05997	1.9
120.08083	0.9
122.06009	10.5
122.06961	0.6
123.06786	13.1
131.05911	0.4
134.05983	2.2
136.07544	0.5
138.05473	34.8
140.07043	1.1
146.03757	0.4
148.07559	0.8
150.05479	30.4
151.06256	17.6
151.07484	0.6
152.07048	2.5
153.07881	0.6
160.07570	1.2
162.09183	0.6
163.03870	1.7
164.07071	1.0
168.06532	100.0
169.07309	5.3
174.05490	0.9
175.01294	0.4
176.07054	1.2
177.07840	0.6
192.06561	2.3
200.10750	0.5
202.12279	1.8
220.13318	5.0
230.11711	2.1
248.12781	7.9
266.13834	42.3
267.14056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1335
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
53.20307	1.2
54.24622	1.1
56.05025	19.7
57.03418	3.0
57.07056	1.5
57.80338	1.1
58.06586	4.1
69.07040	1.4
70.06582	3.1
71.04980	1.4
71.09364	1.1
71.69760	2.2
71.70129	1.8
74.06065	100.0
79.05495	1.6
81.07035	3.9
84.04507	6.1
86.09692	3.1
89.39053	1.2
91.05470	3.3
95.08590	3.1
103.05426	3.1
104.38838	1.3
105.07005	2.0
110.07163	1.4
113.02737	1.3
120.08080	59.7
132.82549	1.2
133.92088	1.2
136.06157	19.5
138.59709	1.3
142.69942	1.2
149.06010	1.2
166.08611	38.0
176.07059	4.5
206.11702	9.5
221.12898	7.7
223.29343	1.3
249.12486	2.2
267.13321	8.5
268.15353	2.0
274.87186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1383
Annotation	Salinosporamide G
Peak:m/z	Relative Intensity
53.03930	0.6
55.19524	0.6
55.20984	0.5
59.22953	0.6
67.05489	1.3
70.06586	0.9
71.70025	0.6
71.70422	0.7
72.08144	1.6
83.62852	0.6
84.08141	0.7
86.09683	1.7
91.05447	0.7
94.06553	6.7
94.17545	0.5
101.02894	0.6
105.03336	0.6
106.06544	1.2
110.06022	2.4
120.08070	1.0
122.06020	9.1
122.07025	1.1
123.06794	13.4
124.07528	0.6
131.08586	0.7
134.06021	3.2
136.06168	0.8
136.07538	0.6
137.02347	0.7
138.05481	42.5
148.07489	1.3
150.05482	27.6
151.06273	18.3
152.07021	3.9
153.07823	1.4
160.07552	1.4
164.07059	1.1
166.08516	0.7
168.06541	100.0
169.07315	4.8
173.08537	0.5
176.07080	2.0
177.09108	0.7
178.08620	0.8
191.09406	0.7
192.06534	0.6
202.12241	1.7
211.03812	1.4
220.13264	7.5
223.54749	0.7
223.65215	0.8
230.09653	0.8
230.11752	3.2
248.12798	21.4
264.14661	0.6
266.13843	40.1
267.02802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97774	0.1
52.64947	0.1
70.13010	0.3
82.99864	0.2
84.25266	0.1
98.21408	0.1
99.00689	0.1
101.00862	1.7
119.01895	11.0
120.01994	0.2
122.97797	0.2
134.99832	0.7
137.02927	3.3
140.98793	0.2
142.03448	0.3
153.00903	0.5
153.35860	0.1
158.99834	1.3
160.04517	0.1
165.99690	0.3
175.02982	0.3
177.00920	23.4
178.01025	0.8
179.00844	0.1
182.99879	0.4
193.04056	0.4
195.02010	0.3
199.02872	0.1
200.02499	0.5
201.00810	1.3
201.02373	0.1
209.98695	0.1
217.04057	3.2
219.01965	26.1
220.02052	1.8
221.01898	0.4
223.99841	0.1
225.00798	2.3
226.01117	0.1
240.05580	0.2
242.03584	0.7
243.01920	8.2
244.02141	0.3
260.04620	0.2
261.03012	100.0
262.03156	3.8
263.03436	0.3
266.03418	0.5
275.04462	0.2
284.04645	4.6
285.04718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23935	0.3
55.01873	0.4
55.05490	0.6
56.38839	0.3
56.96350	0.3
56.96561	3.1
58.72269	0.3
61.02914	0.4
67.05480	0.5
69.03410	0.4
70.06583	2.3
70.98106	0.6
72.08157	2.3
73.02875	0.6
74.06047	0.4
74.98918	0.4
81.04534	2.0
81.07081	0.3
82.04845	1.0
82.99891	0.3
84.04472	1.3
84.08132	1.4
85.02893	0.4
86.09682	1.4
98.97571	1.1
99.01253	0.4
101.00838	1.8
110.07144	0.7
112.11256	0.4
116.98587	1.4
117.01785	0.4
119.01907	12.6
120.01965	0.5
121.01670	0.8
121.02847	2.7
122.07137	11.2
123.07496	9.2
129.10182	0.6
133.01666	0.6
134.99738	1.5
136.06151	1.3
137.02936	3.8
144.04774	3.5
145.01534	0.4
145.05170	2.3
150.05510	0.8
152.05545	0.4
153.00955	0.9
155.00259	0.5
156.01891	0.9
158.99821	1.4
163.02660	1.8
164.00786	0.8
164.03024	0.5
171.01459	0.5
173.01361	0.6
175.00920	0.8
175.02536	0.4
175.11749	0.5
176.07715	0.4
177.00932	24.6
178.00954	0.6
178.08643	1.7
180.43771	0.3
182.99777	0.6
185.02954	0.4
185.74490	0.4
187.00839	0.4
188.00870	0.8
190.00441	0.4
195.01933	0.6
196.01347	0.7
197.01283	0.7
200.02559	0.8
201.00853	1.3
201.02443	1.1
206.53114	0.4
207.52144	0.4
217.01912	1.5
217.04044	3.4
218.01826	0.5
218.03693	0.4
219.01971	27.3
220.02103	1.4
220.14307	0.4
221.01802	0.5
225.00813	2.5
242.03601	1.4
243.01874	8.0
243.05569	0.6
260.04736	0.6
261.03033	100.0
262.03113	3.5
263.03616	0.5
266.03497	0.8
266.11682	0.4
266.15948	0.6
266.18579	1.5
275.04636	0.5
284.04630	6.7
285.05081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2522
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03930	3.2
53.85424	1.5
55.01874	2.0
55.05503	63.0
57.03429	3.2
57.07065	20.0
67.05493	59.0
69.07056	81.0
71.04967	3.7
71.08614	12.8
76.08306	1.3
79.05479	35.3
81.07044	69.6
83.04959	2.0
83.08604	58.4
85.06515	3.7
85.10165	5.5
91.05447	6.1
93.07030	35.3
95.04935	2.0
95.08587	73.1
97.00045	1.2
97.06518	21.1
97.10152	39.5
99.08086	3.8
105.06992	1.5
107.07903	2.4
107.08569	26.1
109.10142	32.0
111.08057	14.4
111.11700	13.7
113.09624	1.9
121.10121	55.4
123.11689	13.4
125.09621	4.4
125.13223	3.3
135.11668	44.5
137.13200	4.8
139.11183	2.7
149.13232	19.8
151.14832	8.2
155.14229	1.8
163.14787	5.9
165.16318	6.4
170.30106	1.4
177.16310	3.9
184.45926	1.4
191.17874	2.4
247.24193	41.6
265.11990	1.9
265.25217	100.0
266.12076	1.4
268.08295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1543
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.04662	0.2
53.03937	0.7
55.01871	0.3
55.05503	11.6
56.05032	0.6
56.96551	0.9
57.05804	0.9
59.89303	0.3
65.74715	0.2
67.05502	0.5
69.07050	0.4
70.06574	0.5
71.70171	0.6
72.08143	100.0
81.04527	0.5
81.07027	0.3
83.04940	0.3
84.04496	1.4
84.08127	0.7
85.02861	0.4
86.09696	0.4
91.05447	0.5
93.07021	0.3
95.04972	0.3
98.97590	1.1
103.05456	0.8
105.03384	0.5
105.07023	0.3
116.98627	1.1
120.08089	14.2
121.02877	0.8
122.07132	2.1
129.10225	0.3
130.04945	0.6
134.99681	0.4
136.06175	0.6
136.07617	0.3
137.02345	0.7
138.98036	0.3
144.04778	0.4
144.92372	0.3
146.99728	0.3
150.00722	0.3
160.51434	0.3
163.03856	0.5
165.01855	0.3
166.08615	9.6
174.05565	0.3
176.02345	0.3
177.05539	0.3
182.02277	0.6
182.47333	0.2
186.01744	1.4
188.02231	0.3
192.06516	0.5
194.02301	0.5
194.10060	0.3
195.02487	1.6
197.02826	0.4
203.02832	0.4
203.33481	0.3
207.02939	0.3
215.02838	0.4
219.15002	0.7
224.03430	0.9
224.53548	0.3
233.03912	1.1
242.04420	1.5
244.54778	0.3
265.07251	0.6
265.15475	2.0
266.10339	0.4
266.13858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
52.59266	2.2
53.03927	7.1
55.01854	4.9
55.05508	14.0
57.03423	3.0
57.07065	2.5
58.57964	2.0
65.03934	3.6
67.05497	100.0
69.03410	1.7
69.07059	18.1
70.88557	7.5
79.05480	45.2
80.05047	2.4
81.02937	4.3
81.03405	62.6
81.07046	96.2
83.04969	9.2
83.08613	7.6
85.06539	5.6
88.78645	2.6
91.04917	3.6
91.05467	44.6
93.07035	34.3
95.04954	98.4
95.08591	56.3
95.81918	1.9
97.06534	6.0
97.10161	3.5
105.07014	36.1
107.04951	8.9
107.08566	18.8
109.06513	23.5
109.10130	37.1
117.06990	15.0
119.08573	27.7
121.06488	25.0
121.10103	14.7
122.07130	8.0
123.04414	5.2
123.08084	12.9
123.11706	11.8
129.06969	10.1
131.08543	43.2
133.06491	4.1
133.10139	10.7
135.08054	10.3
135.11594	2.9
137.09566	10.3
137.13245	4.6
138.97849	2.2
141.06943	4.4
143.08542	5.6
145.06473	3.4
145.10124	22.2
147.08057	4.2
147.11676	8.4
149.09627	8.0
149.13254	7.0
155.08539	6.2
159.11655	7.9
161.13229	3.0
169.10127	3.3
171.11615	11.8
173.09595	3.6
173.13271	11.2
182.10629	2.2
187.14813	21.0
189.44461	2.1
197.13245	11.7
205.15912	7.0
215.14311	12.3
223.16788	3.1
228.36803	2.2
233.15331	44.7
247.16980	3.4
265.14960	2.9
265.18024	20.9
265.21558	21.0
265.24286	2.5
265.25452	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	265.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	0.5
56.96559	4.5
67.05499	0.4
69.03426	0.5
69.07033	0.6
69.47298	0.4
70.06570	1.1
70.94326	1.2
70.98093	0.5
72.08144	0.8
73.02892	0.5
80.05000	1.9
81.04534	12.7
81.07049	0.5
84.04488	0.7
84.08144	0.9
85.02892	0.9
86.09689	0.7
88.99144	0.7
91.02454	0.8
91.65096	0.4
95.06049	0.3
96.74201	0.4
97.02902	0.5
98.97587	1.4
101.00872	0.4
103.00610	1.0
113.02954	0.7
116.98604	1.0
117.01887	0.5
119.01923	2.6
121.01669	3.8
122.07140	100.0
123.07445	0.7
126.03711	1.2
129.10184	0.5
131.00195	0.6
131.01877	1.0
133.01616	3.0
134.99646	1.2
137.02950	0.7
139.02721	0.8
144.04767	27.4
145.01601	2.4
146.99660	0.7
149.01134	1.0
151.04552	0.5
155.00250	0.5
155.04668	0.5
156.01929	0.6
156.94455	0.4
157.01689	0.7
158.99600	0.7
161.02985	0.9
162.03111	0.8
162.98956	0.5
163.02667	8.1
164.00749	0.7
165.00656	0.7
168.99783	0.6
171.01352	0.6
173.03017	0.5
175.01183	0.6
175.02760	2.7
177.00914	2.7
177.02419	1.4
181.03648	0.4
185.02849	0.4
187.00906	1.9
187.02617	0.4
189.02391	0.5
190.98636	0.9
193.03731	2.5
195.03479	1.1
196.01357	0.7
201.02432	1.1
205.00203	0.7
205.03804	1.1
217.01976	0.6
218.98083	0.4
219.01933	3.0
223.01263	1.2
223.04768	0.6
242.05157	1.1
243.02052	1.2
261.03049	10.9
265.05869	2.9
265.11191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0703
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
53.03937	1.2
53.66210	0.4
55.01856	1.8
55.05481	0.5
57.03415	0.8
65.54630	0.4
67.05479	0.8
68.99777	5.5
69.03416	0.8
69.07045	0.5
70.06578	0.5
70.18288	0.8
70.18703	1.5
71.01340	3.5
72.08140	0.9
79.05471	1.2
81.03400	3.8
81.04570	0.5
81.07047	0.9
82.69273	0.4
83.04989	0.3
84.04483	0.5
84.08115	0.5
85.02888	7.1
86.09702	0.6
91.05483	1.9
92.05829	0.3
93.07027	1.0
95.01330	1.2
95.04959	1.1
95.08594	0.7
98.21311	0.6
103.05457	1.0
105.07016	1.0
107.01294	0.4
107.04945	0.9
107.08590	0.7
109.02854	3.9
111.04411	2.1
113.02349	5.7
115.05434	0.7
117.06932	0.4
119.08551	1.0
120.08099	0.8
121.02905	0.8
121.06441	0.8
122.07160	2.8
123.08022	0.5
127.03900	2.0
129.06984	0.7
131.04906	1.1
131.08530	1.4
135.04393	1.7
135.08069	0.9
137.02313	100.0
138.02672	1.3
144.04742	0.7
145.02792	1.4
145.06482	0.8
145.10091	0.8
149.09612	0.6
155.03378	1.9
159.04337	0.7
159.08031	0.5
161.02336	1.9
161.09698	0.4
163.03871	7.1
168.06526	1.1
173.06013	0.8
173.09529	0.5
175.07491	0.8
176.45792	0.3
177.05365	0.7
179.03351	2.5
183.11754	0.4
187.03809	0.8
187.07494	0.6
187.11165	0.7
191.06970	1.2
197.04420	0.4
201.12849	0.4
203.10663	0.5
205.04919	32.6
206.05223	0.5
211.11148	0.4
219.06438	1.4
247.05934	1.5
247.13084	0.6
265.07013	48.0
266.07388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03921	2.5
55.05501	16.8
57.03400	1.6
57.07061	12.9
65.03918	2.0
67.05493	87.5
69.07062	18.1
69.38015	12.7
70.77007	1.1
71.04967	1.8
71.08620	7.7
79.05479	24.7
81.07041	100.0
83.04974	1.5
83.08607	15.5
85.06514	4.1
85.10160	2.5
91.05470	17.9
93.07027	23.7
95.04958	2.1
95.08591	91.7
97.06515	8.6
97.10153	6.7
99.08088	8.0
105.07009	12.8
107.08573	16.4
109.06510	1.4
109.10133	44.0
111.08039	5.0
113.09605	4.7
119.08576	13.0
121.10130	17.1
123.08022	3.6
123.11693	17.3
125.13165	1.0
127.11118	2.1
133.10109	15.3
135.11661	11.0
137.09547	3.5
137.13242	7.8
141.12738	1.7
147.11665	9.6
149.13234	8.9
151.14789	7.6
155.14195	1.3
161.13248	11.4
163.14783	7.2
165.16351	12.9
167.14233	1.2
175.14806	8.7
177.16360	1.8
179.14377	1.5
179.17943	5.6
181.15836	2.0
189.16356	5.1
217.19490	1.4
245.22614	37.9
246.57132	1.3
263.08121	1.6
263.23654	69.4
264.24088	1.3
284.21359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.59620	0.9
53.03937	2.7
55.01864	1.4
55.05500	16.4
57.07068	12.3
59.95414	1.1
65.03925	2.4
67.05497	88.6
69.07059	15.8
71.04993	1.6
71.08624	7.6
71.77855	0.9
79.05022	1.3
79.05482	21.7
81.07047	100.0
83.04958	2.6
83.08610	13.6
85.06528	3.8
85.10152	3.4
91.05466	18.4
93.07034	23.2
95.04951	1.1
95.08594	85.9
97.06518	8.0
97.10159	7.2
99.08061	5.0
105.07020	11.7
107.08584	14.0
109.06503	1.7
109.10143	44.0
111.08070	5.3
111.11655	1.4
111.23078	0.9
113.09621	4.0
119.08567	12.9
121.10127	17.6
123.08057	2.2
123.11688	20.7
125.09603	1.9
127.11121	2.3
133.10112	15.6
135.11664	8.8
135.96024	0.9
137.09587	2.3
137.13254	7.5
141.12712	1.8
147.11693	11.2
149.13239	6.9
151.11137	2.1
151.14809	9.7
155.14323	1.5
161.13254	9.7
163.14828	8.8
165.16365	8.8
175.14801	7.3
176.39920	1.0
177.16338	1.8
179.17944	5.1
189.16377	3.9
203.17989	1.7
217.19554	2.4
221.94525	0.9
229.34599	1.4
245.22624	32.0
246.23264	1.3
263.08124	2.0
263.14526	1.9
263.23672	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	2.2
53.06598	0.8
55.05504	14.5
57.03434	2.1
57.06796	1.0
57.07063	12.9
61.87436	0.9
62.12649	0.9
65.03929	2.1
67.05495	86.4
69.07057	16.6
69.77687	6.4
71.04974	1.7
71.08624	6.8
79.05483	22.3
81.07043	100.0
83.01971	0.8
83.04967	1.7
83.08606	14.1
85.06522	3.9
85.10169	4.5
91.05462	19.4
93.07034	24.0
95.04934	1.6
95.08590	89.0
95.15797	1.0
97.06512	6.3
97.10165	8.2
99.08079	7.3
105.07009	12.8
107.08584	13.6
109.06490	1.8
109.10140	46.0
109.40693	0.9
111.08038	4.4
111.11713	1.7
113.09604	2.7
119.08558	13.3
121.10124	17.3
123.08048	2.5
123.11687	18.7
125.09564	2.0
127.11178	2.4
129.07037	0.8
133.10123	13.7
135.11678	11.1
137.09616	2.2
137.13243	8.2
140.99318	0.9
141.12657	1.2
147.11664	11.2
149.13232	9.1
151.11218	1.2
151.14784	10.3
154.34143	1.1
155.14282	1.5
161.13231	11.4
163.14818	9.4
165.16359	11.9
167.14265	0.9
175.14810	10.4
177.16327	2.9
179.17889	4.9
181.15839	1.6
189.16364	3.8
193.15881	1.3
203.17931	2.2
205.19420	1.0
217.19493	2.1
219.21106	1.4
245.22621	36.7
246.22980	1.2
263.08286	1.1
263.23657	70.0
264.24191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03922	1.5
55.01860	1.4
55.05241	1.1
55.05502	16.8
57.03419	1.5
57.07066	11.7
65.03907	2.3
67.05494	84.9
69.07052	16.5
69.96192	1.6
69.96601	3.0
71.04965	1.7
71.08624	7.4
77.03896	1.0
79.05477	24.8
81.07040	100.0
82.07372	1.2
82.95771	0.9
83.04941	2.4
83.08604	13.1
85.06515	3.2
85.10154	3.3
91.05460	17.0
93.07026	23.8
95.04926	2.5
95.08589	86.1
96.28571	0.8
97.06502	5.1
97.10146	6.5
98.21368	1.1
99.08071	6.0
105.07021	11.9
107.08578	14.4
109.10135	43.6
111.08055	4.9
111.11694	1.8
113.09624	2.7
119.08552	9.3
121.10120	18.1
123.08070	1.6
123.11688	18.6
125.09597	1.2
127.11170	2.3
131.08545	1.1
133.10109	14.9
135.11668	10.5
137.09595	2.5
137.13251	7.4
141.12738	1.6
147.11653	8.9
149.13226	8.4
151.11145	1.1
151.14778	7.1
155.14310	1.0
161.13243	10.7
162.10153	0.9
163.14781	7.9
165.16360	9.5
172.26729	0.8
175.14766	7.0
177.16388	2.0
179.17892	3.8
181.15857	2.4
189.16350	2.8
189.91545	0.8
191.82111	0.8
203.17906	1.5
217.19394	2.0
245.22621	29.9
248.12283	0.9
249.97505	0.9
263.14648	2.9
263.23654	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	1.8
55.05500	14.3
56.40366	0.6
57.03435	1.9
57.06834	0.9
57.07066	10.9
64.31505	0.7
65.03923	1.9
67.05492	85.1
69.07056	18.5
70.02196	3.3
71.04971	1.8
71.08617	6.0
79.05479	24.3
81.07043	100.0
83.04955	2.4
83.08604	14.5
85.06545	4.2
85.10152	2.3
91.04922	1.4
91.05468	19.6
93.07031	24.9
95.04942	2.7
95.08588	84.8
97.06503	6.4
97.10169	6.5
98.21343	1.2
99.08085	6.7
105.07012	12.4
107.07909	1.4
107.08578	13.7
109.06483	1.0
109.10135	44.7
111.08088	4.8
111.11679	1.2
113.09624	3.6
117.07018	1.3
119.08569	13.2
121.10122	17.4
123.08047	3.5
123.11689	18.5
125.09653	1.3
127.11207	1.5
131.08519	1.5
133.10103	15.1
135.11661	9.9
137.09573	2.2
137.13234	6.4
138.59282	0.8
141.12750	1.6
144.56042	0.8
147.11646	10.3
149.13226	7.7
151.11183	1.0
151.14789	6.6
155.14264	1.1
157.10097	0.8
161.13220	9.7
163.14804	8.3
165.16362	9.3
175.14789	6.9
177.16367	1.3
179.14377	0.8
179.17912	3.4
181.15904	1.1
189.16338	3.0
193.15811	1.0
203.17920	1.5
207.11702	0.7
217.19589	1.0
245.22600	27.0
263.08191	1.0
263.23666	59.1
264.23911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03935	7.8
55.01857	7.8
55.05504	32.5
57.03416	3.4
57.07062	8.0
58.97257	1.7
65.03931	2.9
67.05497	87.2
69.03418	2.6
69.07064	31.5
71.04969	3.9
71.08625	4.2
71.69868	3.5
71.70229	2.2
74.62102	2.1
79.05483	70.4
81.03429	4.5
81.07045	81.2
83.04974	7.7
83.08613	19.0
85.06539	5.0
91.05464	47.9
93.07032	93.5
95.04974	11.5
95.08593	76.8
95.09200	4.2
97.06508	10.6
97.10149	7.2
99.08064	2.6
101.05970	1.9
105.07010	31.1
107.04945	5.5
107.08582	60.4
109.06506	10.2
109.10146	40.4
111.08054	12.8
117.07019	3.6
119.08567	26.4
121.06506	5.4
121.10126	58.1
123.08066	8.5
123.11667	12.0
124.42088	1.8
125.05922	2.3
129.07016	5.8
131.08554	6.6
133.06450	3.5
133.10118	25.8
135.08072	3.9
135.11674	35.1
137.09583	8.5
137.13280	3.6
139.07542	7.5
143.08565	5.8
145.10089	7.8
147.08051	3.8
147.11665	15.1
149.09595	4.2
149.13255	14.0
151.11162	5.4
153.09074	2.3
157.10080	3.6
159.11707	8.0
161.09583	3.5
161.13243	12.7
163.11215	2.9
163.14787	4.8
171.11674	6.1
173.13303	2.9
175.11150	2.1
175.14787	4.6
185.13307	3.4
189.12761	5.0
203.14447	3.4
203.17978	2.1
207.13794	7.8
217.19434	4.8
221.15274	3.0
227.17909	9.5
235.08643	1.9
236.85252	2.1
245.18919	11.2
245.22617	10.9
263.08347	7.2
263.14331	5.3
263.20053	100.0
263.23657	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	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	4.0
55.05500	14.5
57.07078	19.2
57.67721	3.2
59.06561	2.8
62.08759	3.2
67.05493	75.9
69.07053	15.0
69.79706	24.5
71.08616	10.5
79.05471	26.0
81.07047	100.0
83.08608	13.4
85.06546	3.3
85.10159	5.0
91.05466	27.9
93.07029	29.6
95.08589	78.5
97.06506	7.6
97.10133	8.0
99.08051	4.4
105.07016	24.6
107.08569	19.9
109.06516	5.0
109.10149	44.7
111.08089	8.0
113.09662	6.1
119.08582	28.7
121.10120	24.5
123.08031	4.8
123.11709	16.6
133.10103	21.9
135.11697	11.3
135.13414	3.2
137.13211	8.8
147.11661	21.3
149.13251	13.7
151.14781	5.7
161.13242	15.4
163.14804	12.4
165.16409	7.5
171.13794	3.2
175.14812	7.3
179.17798	4.1
189.16425	6.4
202.86255	3.9
205.19446	4.5
219.09180	4.8
245.22614	54.0
263.08112	42.2
263.23648	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2001
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03926	4.8
55.01852	2.1
55.05265	1.6
55.05504	18.0
56.63887	1.3
57.07053	2.2
58.89372	1.2
59.05009	1.7
59.68810	1.3
65.03925	3.2
67.05491	27.0
69.07053	14.5
71.04971	1.7
71.70463	2.3
79.05479	76.9
81.03372	1.9
81.07043	38.1
83.04952	2.3
83.08606	9.2
85.06541	2.2
91.05460	27.1
93.07027	100.0
95.04942	6.3
95.08009	2.1
95.08593	34.0
97.06523	2.9
97.10138	3.9
105.07008	20.9
107.04948	3.1
107.08575	68.1
109.06495	6.0
109.10140	12.3
110.66560	1.3
111.08098	2.4
116.62212	1.4
117.07000	4.0
119.08569	17.9
121.06503	2.4
121.09251	3.1
121.10128	57.4
123.04353	2.8
123.11713	4.0
129.06978	2.9
131.08536	5.5
133.06441	2.0
133.10110	12.4
134.05339	1.4
135.08012	2.5
135.11668	41.0
137.09607	1.8
143.08539	3.2
145.10094	5.2
147.07993	2.7
147.11646	10.3
149.09601	3.2
149.13261	11.9
151.11147	2.2
157.10115	3.0
159.11700	3.4
161.09592	1.5
161.13193	4.5
163.11153	3.0
171.11662	4.6
177.12788	2.1
181.12192	2.8
185.13193	2.7
189.12683	2.0
199.14754	2.1
207.13776	2.9
217.15804	2.5
227.17937	2.9
245.18945	4.7
263.08307	5.0
263.16907	3.5
263.20038	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03924	5.3
55.01597	3.4
55.01867	65.1
55.05507	23.3
57.03416	2.9
57.07054	1.9
60.96563	1.6
65.03916	2.8
67.05498	58.2
67.62020	1.6
68.67008	1.3
69.03403	1.8
69.07058	50.5
71.04977	3.0
73.06527	2.1
77.42929	1.2
79.05016	3.4
79.05482	69.3
81.03400	3.2
81.07046	75.8
83.04969	11.2
83.08605	12.5
85.06540	4.7
91.04923	2.8
91.05467	47.6
93.07031	77.1
95.04971	14.1
95.08595	46.9
96.44759	1.8
97.06519	86.6
97.10158	4.4
98.69847	1.4
99.08083	3.4
105.07020	31.0
107.04952	3.4
107.08579	54.5
108.35534	1.4
109.06513	10.0
109.10146	24.1
111.08057	3.8
117.07013	3.6
119.08571	23.0
121.10133	48.0
123.08025	6.1
123.11710	8.8
125.09644	8.5
129.06995	4.6
131.08540	9.0
133.06612	1.9
133.10107	40.2
133.59673	1.4
135.08060	3.7
135.11676	28.6
135.16833	1.5
137.09569	7.5
137.13190	2.1
139.11198	2.2
143.08527	3.8
145.10065	8.8
147.11688	22.5
149.09590	6.9
149.13246	15.0
151.11148	10.8
157.10127	5.0
159.11627	2.7
161.09593	1.9
161.13255	8.1
163.11099	1.8
163.14734	2.5
165.12761	5.8
167.14301	2.5
171.11647	6.5
175.11154	5.8
175.14806	3.4
185.13255	4.8
187.14761	2.6
189.12723	3.2
189.16391	7.0
193.12125	3.1
193.19440	1.9
203.14395	2.1
203.17932	3.6
207.13716	2.8
213.16360	5.6
217.19514	3.7
221.15414	2.3
227.17902	2.7
231.17447	5.3
235.20563	10.3
245.19043	9.3
245.22607	3.1
263.08310	2.6
263.20056	100.0
263.23358	5.4
264.20261	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	263.2001
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03925	6.8
55.01854	7.1
55.05499	35.4
57.03406	5.1
57.07056	3.0
65.03929	2.1
67.05491	76.5
69.03414	10.6
69.07053	25.1
69.56685	10.3
69.57111	5.9
71.04977	9.4
79.05479	48.4
79.06226	1.6
81.03396	6.3
81.07041	52.4
83.04950	6.2
83.08614	13.0
85.06539	4.3
91.05465	29.2
93.07027	72.5
95.04968	11.6
95.08592	62.2
96.58524	1.9
97.02890	4.1
97.06509	6.9
97.10136	10.8
105.07015	23.2
107.04932	3.5
107.08582	36.6
109.06481	6.3
109.10135	41.9
111.08043	5.9
117.06985	5.9
119.08553	21.0
121.06468	5.8
121.10123	33.5
123.08040	8.9
123.11685	7.7
125.09599	8.5
129.06973	4.5
131.08536	7.2
133.06502	4.1
133.10106	13.2
135.08020	5.3
135.10695	1.4
135.11668	27.2
137.09566	14.7
137.13287	1.9
143.08554	4.1
145.10069	6.0
147.08072	1.8
147.11652	12.4
149.09578	4.1
149.13243	9.1
151.11147	6.8
157.10117	3.6
159.11708	6.2
161.09569	1.7
161.13197	7.5
163.11145	1.9
165.09091	4.4
171.11652	5.7
173.11681	7.2
173.13104	2.3
175.14886	3.5
185.13286	4.2
187.14766	3.1
189.12714	2.5
189.16435	2.8
195.13802	6.8
203.14307	2.9
203.17889	2.0
207.13744	3.3
217.19481	3.6
221.15343	2.5
227.17941	4.6
240.56444	1.6
245.18913	12.2
245.22673	3.7
263.08130	4.5
263.14569	8.5
263.20029	100.0
263.23401	6.6
264.20282	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	263.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.3
55.01597	3.4
55.01867	65.1
55.05507	23.3
57.03416	2.9
57.07054	1.9
60.96563	1.6
65.03916	2.8
67.05498	58.2
67.62020	1.6
68.67008	1.3
69.03403	1.8
69.07058	50.5
71.04977	3.0
73.06527	2.1
77.42929	1.2
79.05016	3.4
79.05482	69.3
81.03400	3.2
81.07046	75.8
83.04969	11.2
83.08605	12.5
85.06540	4.7
91.04923	2.8
91.05467	47.6
93.07031	77.1
95.04971	14.1
95.08595	46.9
96.44759	1.8
97.06519	86.6
97.10158	4.4
98.69847	1.4
99.08083	3.4
105.07020	31.0
107.04952	3.4
107.08579	54.5
108.35534	1.4
109.06513	10.0
109.10146	24.1
111.08057	3.8
117.07013	3.6
119.08571	23.0
121.10133	48.0
123.08025	6.1
123.11710	8.8
125.09644	8.5
129.06995	4.6
131.08540	9.0
133.06612	1.9
133.10107	40.2
133.59673	1.4
135.08060	3.7
135.11676	28.6
135.16833	1.5
137.09569	7.5
137.13190	2.1
139.11198	2.2
143.08527	3.8
145.10065	8.8
147.11688	22.5
149.09590	6.9
149.13246	15.0
151.11148	10.8
157.10127	5.0
159.11627	2.7
161.09593	1.9
161.13255	8.1
163.11099	1.8
163.14734	2.5
165.12761	5.8
167.14301	2.5
171.11647	6.5
175.11154	5.8
175.14806	3.4
185.13255	4.8
187.14761	2.6
189.12723	3.2
189.16391	7.0
193.12125	3.1
193.19440	1.9
203.14395	2.1
203.17932	3.6
207.13716	2.8
213.16360	5.6
217.19514	3.7
221.15414	2.3
227.17902	2.7
231.17447	5.3
235.20563	10.3
245.19043	9.3
245.22607	3.1
263.08310	2.6
263.20056	100.0
263.23358	5.4
264.20261	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	263.1385
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.35259	0.5
67.05472	1.2
69.07040	0.7
70.06582	33.4
71.70341	0.8
72.08121	0.8
79.05487	0.7
81.07027	1.4
84.04472	1.6
84.08129	0.6
86.09666	1.0
87.01775	0.5
90.41743	0.5
91.05446	2.6
93.07027	2.9
95.04950	0.8
95.08572	1.3
98.05993	0.5
103.05447	6.9
105.07000	1.0
109.10186	0.8
110.07165	0.9
114.05523	0.7
115.05553	0.5
116.07073	76.5
116.63721	0.5
117.07473	0.5
120.08088	100.0
121.08466	1.0
121.10159	0.7
130.05043	0.8
131.08533	0.6
133.10155	0.6
147.07990	0.6
147.11731	0.6
191.05708	0.5
199.11140	0.6
202.28258	0.6
202.63750	0.6
208.74324	0.5
263.01947	1.1
263.04651	2.3
263.13910	11.1
263.23648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05507	0.9
57.03426	13.2
57.07056	1.5
58.99573	4.1
65.03920	2.0
67.05489	1.9
69.61209	0.6
69.73864	0.6
69.74150	5.6
71.04956	1.0
72.08150	0.8
73.90347	0.7
76.01788	1.7
76.02213	28.0
76.03989	1.2
81.07035	1.8
83.04974	0.8
84.04480	5.3
84.08138	5.7
85.06529	19.8
86.09698	1.6
88.02196	2.0
91.05473	1.3
93.07013	0.9
95.08607	1.7
96.48282	0.7
97.02844	0.9
99.02660	5.2
105.07008	1.5
109.10098	0.9
109.86559	0.7
110.07056	0.7
110.09679	1.4
112.03930	0.9
115.05743	0.9
116.01665	8.5
116.98550	0.9
117.03698	100.0
119.01891	2.3
119.08549	0.7
120.08053	1.0
125.04194	3.2
125.07453	2.8
130.04982	7.8
132.95831	2.3
142.06836	6.2
142.08577	0.8
143.01866	1.3
144.01093	4.5
146.97379	1.4
150.96848	1.8
160.07880	2.9
161.02919	4.9
162.02190	21.4
169.01268	1.3
179.04843	12.4
191.43445	0.8
192.97855	0.8
200.51506	0.7
202.96364	0.9
203.03876	1.4
217.12064	0.8
228.06842	1.3
245.09534	36.7
245.12047	1.8
245.22742	0.8
246.07970	1.3
263.05917	1.7
263.09607	2.0
263.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57439	1.1
55.05503	1.6
56.96556	43.0
57.03425	1.4
61.02925	3.2
69.03422	2.3
70.06596	2.3
70.98122	8.0
71.69775	1.8
71.70150	1.7
71.95248	5.1
72.06841	1.2
72.08146	2.6
72.96024	1.5
73.02907	2.8
74.06063	1.4
74.97606	1.6
77.00899	1.5
81.03394	2.1
82.99852	2.0
84.04498	1.4
84.08142	1.6
84.96015	2.1
85.02879	4.7
86.09703	3.3
88.99143	3.5
97.02882	4.7
98.97570	44.7
101.00868	23.1
102.96850	4.0
103.02461	1.2
107.00179	1.6
110.97551	4.2
113.00860	4.5
113.16429	1.1
115.02385	2.1
115.03909	1.6
116.98611	31.7
119.01906	58.8
120.97932	1.8
121.01639	2.8
124.95457	3.0
127.03938	1.5
128.79080	1.6
128.98572	5.9
131.00163	3.7
131.01881	26.3
132.00922	1.2
133.03455	10.4
134.99637	15.1
135.03207	3.0
137.02910	7.7
138.98959	1.5
140.98586	1.4
142.96556	7.4
143.01878	33.6
145.03433	3.4
146.99600	6.2
149.01187	1.9
149.02945	5.4
150.99113	2.8
151.04555	2.6
153.00688	3.0
155.01897	11.3
157.01537	1.2
157.03453	5.0
158.99599	3.9
159.01454	1.4
160.04660	1.8
160.97618	3.9
161.02946	100.0
162.03087	1.8
163.04401	1.9
165.00656	3.6
170.96086	3.8
170.99620	2.4
171.01288	1.5
172.97513	2.1
173.01314	3.8
173.02936	32.0
174.99155	5.0
175.02863	1.3
175.04462	3.9
177.00806	6.3
177.02275	1.9
177.04039	1.7
178.93941	1.1
179.00734	2.6
179.03996	2.5
184.04482	4.3
184.97696	2.7
185.02927	8.1
188.97049	20.1
189.00705	5.0
189.02373	2.4
190.98601	7.3
191.02287	4.1
191.03957	31.0
193.00162	8.4
197.02924	2.6
202.98621	8.6
203.02232	2.0
203.03979	15.2
206.98102	10.7
207.01704	2.7
214.05710	1.8
214.98547	2.4
215.03926	1.5
217.02011	2.9
219.01630	1.6
220.99770	7.1
221.01624	2.7
221.03351	2.5
221.05075	4.1
224.99164	1.5
230.98087	8.7
231.01601	1.8
232.99744	3.2
233.05074	2.5
239.00743	1.9
239.04169	2.0
239.06213	2.1
240.03479	3.5
244.99568	2.0
245.04849	3.0
248.99129	4.1
262.23926	2.6
263.02963	16.7
263.06119	44.9
263.08322	2.1
281.01654	4.4
281.04544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91702	25.5
65.28229	27.5
67.66847	23.6
70.90791	36.2
70.91122	43.0
80.23756	24.2
104.26766	29.7
106.41795	24.6
107.45080	23.3
119.01930	24.1
143.01904	33.1
161.02930	51.6
263.01620	100.0
263.05914	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67525	0.6
70.19964	2.3
70.20358	1.4
82.99851	1.6
85.02868	1.2
101.00861	17.2
113.00804	3.1
119.01902	45.2
120.01999	1.0
124.94611	0.6
131.01883	20.8
133.03427	0.9
137.02937	5.0
142.03383	1.3
143.01872	34.5
144.01897	0.9
145.03444	2.5
149.02892	3.5
154.03523	0.9
155.01860	11.5
157.03444	2.6
161.02931	100.0
162.03081	1.8
173.02934	28.1
173.04449	1.6
174.03137	0.7
175.04535	2.3
179.03986	3.3
184.04543	3.1
185.02946	4.6
191.03979	16.3
191.05669	1.1
196.04510	0.7
197.02925	0.9
203.02161	1.3
203.03984	17.8
215.03918	0.9
221.04984	4.6
233.04922	1.1
239.06075	1.4
245.04958	1.4
263.01810	1.2
263.06085	21.5
263.12006	0.8
277.71494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1799
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07070	0.5
69.65459	3.2
70.06572	1.4
71.08610	0.6
71.26907	0.3
85.49189	0.4
87.04456	30.6
88.07610	1.3
114.09145	0.5
118.06525	12.7
120.08136	0.3
128.67673	0.3
129.55811	0.4
132.08075	3.9
132.10167	1.5
133.08864	2.1
134.09608	0.9
146.09618	3.7
150.11227	1.4
158.06747	0.4
161.11905	0.4
176.14320	74.4
177.14635	0.9
204.09880	0.4
218.21054	0.6
262.17990	100.0
262.23691	10.4
263.18378	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	262.1797
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05508	0.4
67.68592	0.3
69.30533	0.3
69.75735	1.1
69.76157	1.3
83.08092	0.3
87.04451	30.1
91.05434	0.5
93.06995	0.3
118.06515	13.5
132.08038	2.5
133.08849	1.1
134.09602	0.9
146.09602	3.5
148.94150	0.3
150.11229	0.3
150.35109	0.3
160.11220	0.4
176.14316	72.9
177.14665	1.3
182.43407	0.3
254.11519	0.3
262.17981	100.0
263.18399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71896	8.2
70.31097	52.2
92.51734	8.9
101.00867	28.8
119.01874	54.0
126.79959	9.1
131.01884	16.2
143.01898	37.7
161.02928	100.0
173.02962	30.0
191.03960	19.3
213.53757	8.9
263.01694	44.2
263.06085	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02347	0.8
51.51939	0.7
53.03933	2.5
55.01858	2.4
55.05497	16.2
57.03413	1.5
57.07062	8.3
60.16032	0.7
63.15938	0.7
65.03919	2.2
67.05493	51.3
68.34153	0.8
69.03421	0.7
69.07052	13.6
69.39939	7.6
71.04989	1.7
71.08631	4.2
74.60033	0.7
77.03919	1.4
79.05480	77.2
81.07042	50.2
83.04963	1.7
83.08612	9.2
85.06525	5.4
85.10173	2.9
91.05462	38.8
93.07028	100.0
94.07359	0.9
95.04961	7.7
95.08591	39.9
97.06509	3.7
97.10148	2.5
99.08065	5.2
105.04523	1.5
105.07009	25.0
105.07719	1.3
107.08572	57.1
109.06503	3.1
109.10133	13.2
111.08044	3.7
113.09624	2.6
115.05421	0.7
115.56036	0.7
117.06996	10.9
119.08557	15.4
121.10123	40.9
123.08056	2.0
123.11706	4.6
129.07027	1.5
131.08551	22.2
133.10112	12.6
135.08003	2.9
135.11667	30.5
137.09575	2.1
137.13158	1.5
139.11105	0.8
145.10100	17.2
147.11664	9.3
149.09612	6.2
149.13229	22.0
151.11169	1.3
151.14735	1.1
159.11653	11.0
161.13202	10.6
163.11188	2.0
163.13496	1.3
163.14796	16.5
165.12752	1.1
171.11696	1.0
173.13234	12.6
175.14839	4.4
177.12726	1.0
177.16370	6.8
179.14337	1.4
187.14801	6.9
189.37053	0.8
193.15869	0.7
201.16338	2.8
205.15802	1.0
215.17897	1.5
217.19548	1.0
233.22665	2.1
243.21046	32.2
261.22092	94.9
262.22449	2.4
278.41052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	30.2
56.05016	12.0
58.63523	2.4
59.04992	59.4
60.04500	3.9
61.02922	7.0
64.75823	2.8
68.05008	9.0
69.03407	2.8
70.06561	4.8
71.01339	9.4
71.68864	2.9
72.08142	5.4
82.02930	8.1
84.04482	13.0
84.08118	4.9
85.02876	3.5
86.06042	13.0
88.03969	3.8
91.05466	6.1
100.03955	12.2
102.05530	7.9
103.03922	25.4
110.02393	18.2
114.05512	100.0
116.07072	15.4
120.08116	3.7
124.03909	3.1
128.03412	6.8
128.07053	16.3
130.04965	3.2
131.03362	6.5
132.95805	23.5
142.04974	7.3
146.97395	4.6
150.96869	12.7
153.01822	3.8
161.02847	3.2
184.06017	15.1
192.97899	5.3
202.07065	6.2
202.96350	7.3
212.05574	7.6
216.08630	11.7
216.12257	5.5
230.06421	3.9
244.08266	6.3
262.04407	6.1
262.09146	55.3
262.14417	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.24161	0.6
53.03942	3.0
55.01849	1.5
55.05500	13.2
57.03418	1.9
57.07064	7.3
59.01007	0.6
59.04977	0.7
65.03919	1.9
67.05491	49.2
69.07053	15.8
69.53234	5.8
71.04953	2.4
71.08613	4.3
77.03844	0.7
79.05478	60.1
81.07040	51.1
83.04964	3.3
83.08605	9.0
85.06522	6.1
85.10166	1.2
91.05462	37.7
93.07027	73.9
93.84899	0.7
95.04943	7.5
95.08589	40.9
97.06505	10.1
97.10147	4.0
99.08071	4.5
105.07008	28.3
107.08573	49.1
109.06495	4.9
109.10136	14.7
111.08060	4.6
111.11681	0.9
113.09622	2.1
115.05402	1.1
117.06995	13.2
119.07732	1.4
119.08553	20.9
121.10121	39.9
123.08057	3.3
123.11690	4.1
125.09592	1.0
129.06970	1.3
130.07771	1.0
131.08543	36.8
132.08905	0.7
133.09172	1.2
133.10110	19.7
135.08015	2.2
135.11667	27.7
137.09566	2.9
137.13211	2.3
139.11266	1.3
143.08554	0.8
144.09364	0.7
145.10092	28.5
147.11664	17.0
149.09604	3.1
149.13226	19.5
151.11133	1.2
151.14754	2.0
153.12663	0.8
157.10110	0.8
159.11676	17.7
161.13232	14.4
163.11150	1.5
163.14793	14.8
165.12701	1.6
165.16336	1.4
171.11639	1.1
172.12332	0.9
173.13235	16.8
175.14792	6.1
177.12685	1.5
177.16350	7.2
179.14253	2.1
187.14798	12.8
189.16415	2.2
191.14299	1.2
201.16370	5.4
203.17937	1.3
205.15868	1.3
215.17889	3.3
215.98062	0.7
217.19455	6.2
219.17361	1.2
233.18874	0.8
233.22629	1.8
243.21037	64.4
244.21349	2.3
261.03915	1.4
261.22098	100.0
262.14465	1.4
262.22430	1.9
281.05099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.66220	0.9
53.03931	4.3
55.01847	1.3
55.05503	19.0
56.56736	0.9
57.03413	2.6
57.07064	5.0
57.34303	1.2
65.03912	3.0
66.29796	0.9
67.05494	55.0
69.06747	1.1
69.07061	14.5
70.33217	4.2
70.33642	1.5
71.04974	3.1
71.08611	2.2
73.89523	0.8
77.03870	1.8
79.05479	72.6
81.07043	61.5
83.04969	1.2
83.08606	8.8
85.06509	4.3
89.57136	0.8
91.05463	34.0
93.07027	96.3
95.04977	8.2
95.08589	44.0
97.06511	5.1
97.10133	3.1
97.64812	1.0
99.08094	4.6
105.04506	0.9
105.07008	26.5
106.07316	1.0
107.08572	59.6
109.06498	2.9
109.10141	19.7
111.08055	5.3
115.05389	1.1
117.06995	9.0
119.08560	20.2
121.10121	50.2
123.08046	2.5
123.11657	3.8
125.09579	2.0
131.08542	20.0
133.10109	18.1
135.11670	40.4
137.09598	3.1
137.13232	1.9
145.10097	20.3
147.11664	13.2
149.09650	1.3
149.13228	30.1
151.11131	1.7
151.14769	1.2
159.11673	12.9
161.13251	12.5
163.11078	1.3
163.13757	0.9
163.14790	24.0
165.12714	2.5
173.13228	12.9
175.14742	7.0
177.16364	6.3
179.14288	1.5
187.14803	7.8
201.16377	3.7
205.15785	1.4
215.17891	2.6
226.34848	0.9
233.22531	1.4
243.21042	37.4
261.22098	100.0
262.14444	1.3
262.22467	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	261.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
53.04142	0.9
55.05268	1.2
55.05505	14.1
55.86247	0.8
57.07064	5.2
58.55646	0.8
65.03914	1.6
67.05492	44.5
69.03398	1.1
69.07053	11.4
71.04959	3.0
71.08618	1.9
79.05482	54.2
81.07043	48.4
83.05009	0.9
83.08611	6.2
85.06517	3.8
88.80520	0.9
91.01602	0.8
91.04926	1.5
91.05466	29.2
93.07027	71.2
94.07385	1.2
95.04945	5.3
95.08590	35.2
97.06500	3.5
97.10144	2.3
98.20725	1.7
99.08092	4.2
105.07015	20.7
107.08577	46.5
108.08861	1.1
109.06494	2.4
109.10141	14.2
111.08070	2.9
113.09639	2.1
117.07001	6.9
119.07740	1.3
119.08571	15.8
121.09253	1.9
121.10127	37.8
123.08064	1.2
123.11694	5.0
125.09608	1.2
129.06982	1.1
131.08542	16.3
133.10098	12.8
135.08102	0.9
135.11673	33.7
137.09589	1.9
137.13219	1.3
139.11191	0.9
145.10104	15.5
147.11667	11.7
149.09576	1.3
149.13237	25.4
153.12766	1.3
159.11682	12.1
161.13243	12.5
163.14795	15.5
165.12708	1.0
173.13251	11.1
175.14848	4.6
177.12724	1.6
177.16371	5.4
179.14273	1.0
185.50203	0.9
187.14787	8.2
201.16350	3.1
205.15782	1.0
215.18027	0.9
217.10040	0.8
217.19479	1.1
219.17366	1.3
229.44460	1.0
233.22626	1.6
243.21042	30.8
247.13995	0.9
261.03885	1.8
261.22098	100.0
262.14359	2.6
262.22485	2.1
263.43515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14644	0.5
53.03931	3.0
55.01871	0.9
55.05504	13.9
57.03433	1.6
57.07067	4.4
57.82605	0.7
60.46524	0.6
65.03925	2.0
67.05492	45.5
69.07059	13.6
69.98022	3.5
71.04983	2.2
71.08624	1.2
77.03923	0.7
77.91920	0.6
78.92086	0.6
79.05481	59.8
81.07043	50.1
83.04957	1.3
83.08602	7.6
85.06528	3.7
85.10214	0.9
91.05464	29.4
93.07027	80.6
94.07367	1.6
95.04965	6.0
95.08591	38.5
97.06509	2.6
97.10152	2.6
98.20670	0.6
99.08064	4.0
102.84421	0.5
103.05441	0.9
105.07014	20.4
107.04942	0.6
107.08576	51.0
109.06499	2.3
109.10145	17.0
111.08050	2.9
111.11680	1.0
113.09624	1.7
117.07001	7.9
119.08559	15.1
121.10125	46.3
122.10471	1.0
123.08036	2.0
123.11686	5.6
125.09589	1.5
131.08545	17.0
133.10106	14.3
135.08031	1.2
135.11670	38.2
137.09607	1.7
137.13226	1.5
139.11151	1.2
145.10097	16.8
147.11667	10.6
148.11977	0.7
149.09671	0.7
149.13228	28.3
150.13605	0.6
151.11101	1.4
151.14806	0.9
153.12698	0.8
159.11679	12.1
161.13237	12.4
163.11206	0.7
163.14793	21.2
165.12714	1.8
171.44106	0.8
173.13234	9.5
175.14787	5.1
177.16374	6.1
179.14285	1.9
187.14778	7.8
189.16380	1.0
191.14278	0.9
201.16362	4.6
203.17972	1.0
205.15836	0.9
215.18024	1.7
219.17528	1.1
233.22668	1.2
243.02699	0.7
243.21037	33.3
244.21371	1.3
252.31860	0.6
261.22104	100.0
262.22421	3.2
284.03262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.6
53.03931	2.2
53.45702	0.5
55.01867	0.9
55.05500	16.3
57.03421	1.2
57.07063	3.3
58.02185	0.5
65.03926	2.0
65.33018	0.6
67.05492	46.9
69.07056	13.6
69.48024	4.2
69.48439	1.2
71.04971	2.4
71.08623	1.1
76.80026	0.5
77.03934	1.5
77.42443	0.5
79.05476	67.5
80.05804	0.9
81.07040	53.8
82.02378	0.5
83.04979	1.0
83.08603	8.5
85.06517	3.8
85.10168	0.8
91.05463	34.3
93.07025	84.8
94.07356	1.1
95.04958	5.7
95.08586	39.0
97.06503	2.9
97.10157	2.7
99.08080	3.6
105.04511	1.3
105.07008	21.4
107.08570	52.7
108.08891	0.8
109.06523	1.9
109.10135	15.4
111.08054	3.2
113.09618	1.2
115.05456	0.6
117.06998	8.1
119.06009	0.7
119.08559	16.9
121.10120	45.5
122.10426	1.3
123.08031	1.8
123.11678	5.3
125.09608	1.4
129.06923	0.7
130.07755	1.3
131.08539	16.4
133.10107	15.0
135.08020	0.7
135.11667	36.0
136.11995	0.7
137.09589	1.9
137.13214	1.7
139.11162	0.8
145.10092	16.5
147.11656	12.9
149.09639	0.8
149.13223	28.7
151.11156	1.2
151.14818	1.0
153.12685	1.4
159.11658	12.3
161.13223	13.3
163.14790	19.8
165.12675	1.4
171.11665	1.0
173.13235	10.9
175.14767	5.0
177.16368	5.0
179.14204	1.6
187.14795	6.9
189.16428	0.9
201.16368	3.5
203.17751	0.5
203.36121	0.6
205.15869	0.6
215.17921	1.5
217.19420	1.0
219.17509	0.7
224.04480	0.5
233.22530	1.5
243.21039	33.5
244.21313	1.2
261.22092	100.0
262.22418	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	1.0
53.03934	2.9
55.01856	1.2
55.05501	16.2
57.03431	1.3
57.07065	7.3
65.03934	1.7
67.05492	53.4
69.07054	15.2
70.07969	4.1
71.04978	2.2
71.08611	4.2
77.03906	0.7
79.05479	81.6
80.05823	0.9
81.07039	58.9
82.07388	1.1
83.04986	1.6
83.08605	8.5
85.06535	4.2
85.10165	2.0
86.60978	0.9
91.05463	38.7
93.07025	100.0
94.07376	1.3
95.04948	8.4
95.08589	41.0
96.59523	0.7
97.06512	4.0
97.10153	2.9
99.08075	4.1
103.05434	0.7
105.04484	1.1
105.07008	23.4
107.08572	59.2
108.08911	1.0
109.06495	3.0
109.10139	14.3
111.08076	3.0
113.09616	2.2
117.07003	10.1
119.08550	17.4
121.06474	0.8
121.10118	43.0
123.08060	1.6
123.11671	4.5
130.07777	1.1
131.08539	22.1
133.10107	13.6
135.08064	0.8
135.11671	31.8
137.09575	1.5
137.13234	2.5
145.10097	17.0
147.10571	1.1
147.11656	11.6
149.09587	3.5
149.13226	23.9
151.11151	1.1
151.14806	2.0
153.12680	1.2
159.11656	14.7
161.13223	11.5
163.11188	1.6
163.14798	15.1
164.15160	0.7
165.12740	1.5
171.11650	0.9
173.13228	11.2
175.14813	5.4
177.12807	0.7
177.16338	6.1
179.14388	0.8
187.14777	7.4
187.44043	0.7
201.16382	2.5
215.17892	1.9
217.19524	1.4
219.17313	1.0
233.18927	1.1
233.22614	2.6
243.21037	31.7
244.21254	1.5
261.22092	86.6
262.22449	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37329	1.2
53.03936	6.4
55.05508	19.1
57.03424	1.3
57.07062	8.8
59.77272	1.2
65.03930	2.6
67.05496	55.4
69.06738	1.5
69.07058	15.8
69.98284	7.5
71.04993	3.0
71.08614	4.9
79.05483	90.9
79.96648	1.2
81.07044	60.8
83.08619	7.9
85.06518	4.4
85.10173	1.4
91.05465	43.8
93.07030	97.8
94.07362	1.6
95.04961	12.0
95.08000	2.3
95.08591	40.7
97.06499	4.0
97.10148	2.5
99.08089	5.8
105.04520	2.2
105.07014	26.1
107.08579	59.9
109.06498	4.6
109.10130	13.7
111.08080	2.7
113.09633	2.6
116.06221	1.3
117.07000	11.9
119.05998	1.4
119.08555	19.2
121.10130	47.6
123.08048	2.6
123.11698	5.8
131.08553	23.6
133.10101	12.5
135.08044	1.5
135.11679	39.2
137.09535	1.9
137.13251	3.7
145.10112	20.1
147.11652	12.9
149.09601	2.2
149.13249	27.9
159.11687	13.6
161.12309	1.1
161.13260	11.9
163.11075	1.3
163.14815	20.3
165.12697	1.8
173.13232	13.8
175.14835	5.6
177.16319	7.0
187.14781	9.2
191.14330	1.6
201.16347	3.1
214.44630	1.4
215.17949	1.4
233.22441	3.0
243.21057	36.9
258.97632	1.2
261.22101	100.0
262.22473	3.7
280.55008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02360	1.2
53.03943	3.3
55.01844	1.1
55.05501	14.4
57.03418	1.6
57.07074	3.5
62.31503	0.6
65.03931	1.4
67.05491	44.8
69.07053	12.3
70.28854	2.1
71.04967	2.5
71.08604	1.2
75.44902	0.7
77.03880	0.8
79.05479	58.6
81.07042	51.8
82.07373	1.1
83.08602	8.0
85.06535	3.8
91.05462	29.5
93.07028	74.1
95.04502	0.7
95.04966	7.4
95.08588	37.5
97.06507	3.7
97.10142	3.4
99.08086	4.2
105.04539	0.9
105.06332	1.3
105.07011	19.3
107.08575	48.3
108.71221	0.7
108.78559	0.7
109.06479	2.9
109.10133	15.2
109.38622	0.7
111.08067	3.1
113.09636	1.8
117.06982	6.2
119.08562	16.3
121.10122	42.1
123.08043	1.9
123.11710	5.1
129.06950	1.1
130.07813	0.9
131.08539	15.6
133.09171	0.5
133.10098	14.7
135.11667	36.1
136.11977	0.7
137.09579	1.5
137.13220	1.3
145.10106	16.0
147.10464	0.5
147.11650	13.4
147.34377	0.9
149.09627	0.9
149.13229	28.0
159.11661	11.4
161.13246	13.5
163.11154	0.9
163.14795	23.7
163.16162	1.2
165.12779	1.5
173.13235	12.3
175.14803	5.3
177.16350	6.5
179.14265	1.4
180.11411	0.8
187.14807	8.1
189.16441	1.2
201.16376	4.4
215.17883	1.6
217.19518	1.4
228.49214	0.7
233.22728	1.3
243.21049	35.0
261.22101	100.0
262.22504	2.1
278.53000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	0.7
55.05503	13.8
57.03411	1.8
57.07067	4.9
59.05001	0.7
63.30466	0.7
65.03929	2.1
67.05494	46.1
68.05824	0.7
69.07055	12.4
70.02953	2.4
70.03362	1.3
71.04978	2.3
71.08611	1.4
71.94698	0.6
77.03903	1.1
79.05479	61.0
81.07043	55.0
83.04965	1.7
83.08604	8.3
85.06527	3.6
91.05467	31.6
93.07030	84.1
94.07355	0.8
95.04951	6.4
95.08591	36.7
97.06531	4.0
97.10151	2.6
98.20718	0.7
99.08081	4.6
105.04525	0.9
105.07012	19.8
107.04934	0.6
107.08578	54.0
108.08871	0.8
109.06509	2.9
109.10141	16.2
111.08080	3.8
111.11703	1.0
113.09607	1.5
115.83025	0.7
117.07005	7.8
119.08556	17.5
121.10128	47.5
123.08041	1.3
123.11694	5.0
125.09687	1.2
129.07040	0.9
131.07672	0.5
131.08546	16.6
133.10101	13.2
135.11670	35.8
137.09622	1.4
137.13248	1.4
139.11110	0.6
145.10103	15.5
145.11230	1.1
147.11662	13.4
149.09631	1.4
149.13231	27.3
151.11147	0.8
151.14755	1.4
153.12706	0.7
159.11682	11.6
161.13239	14.0
163.11217	0.8
163.14796	21.8
165.12695	1.5
166.58473	0.6
172.85930	0.7
173.13251	10.9
175.14792	5.3
175.67168	0.6
177.12796	0.6
177.16338	5.1
179.14325	1.3
183.11047	0.5
187.14796	7.8
189.16292	0.8
191.14308	0.9
201.16374	3.3
203.18065	0.7
205.15987	0.9
215.17868	1.5
219.17311	0.8
233.22627	2.1
243.21037	34.3
244.21379	0.7
261.22104	100.0
262.22391	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	261.2206
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03943	3.4
53.41296	0.7
55.01854	2.6
55.05501	14.7
57.03425	2.3
57.07069	9.2
60.33381	0.7
65.03929	2.3
67.05495	57.2
69.07053	16.0
71.04974	2.6
71.08620	4.9
71.70172	0.7
71.70569	0.9
77.03918	0.8
79.05480	84.9
80.05808	0.7
81.03390	0.9
81.07041	57.2
83.04977	2.6
83.08615	8.0
85.06528	6.1
85.10168	2.5
91.05464	41.6
93.07028	99.2
94.07333	1.7
94.63319	0.7
95.04952	9.8
95.08588	46.2
96.08943	0.8
97.06498	5.3
97.10138	3.7
99.08076	5.8
105.04516	0.9
105.07014	25.3
105.07724	1.4
107.04942	1.4
107.08573	57.9
108.08878	1.3
109.06521	3.5
109.10136	13.5
111.08057	2.1
113.09633	2.7
116.06218	0.9
117.06998	13.7
119.08565	20.1
121.06510	1.2
121.10123	46.5
123.08069	1.9
123.11662	3.3
125.09608	0.9
125.82962	0.8
129.06934	1.5
131.08546	25.8
132.08893	0.9
133.10112	15.0
135.08058	3.5
135.11668	34.5
137.09581	2.5
137.13148	1.7
139.11206	1.0
143.08601	1.0
145.10095	17.3
147.08049	0.7
147.11678	14.5
149.09599	7.1
149.13235	28.6
151.11198	0.8
151.14754	1.2
153.12798	1.1
154.39764	0.7
157.10043	1.1
159.11670	13.4
161.13239	12.3
163.11203	1.7
163.14793	21.0
165.08417	0.7
165.12756	1.5
167.14320	0.7
173.13225	13.1
175.14818	4.5
177.12790	0.9
177.16376	7.4
179.14215	1.6
187.14764	7.4
189.16313	1.0
201.16388	3.7
205.04944	2.5
205.15921	1.3
215.17981	1.6
217.19411	2.1
219.17267	0.8
233.19073	0.8
233.22621	2.3
243.21039	36.2
244.21408	1.1
261.03870	3.2
261.07382	1.0
261.18723	3.3
261.22095	100.0
262.14172	0.9
262.22516	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84016	1.2
53.03945	1.7
55.01847	5.4
55.05501	21.0
56.05013	4.7
56.96539	1.7
57.07065	9.9
58.99572	18.2
61.01125	5.4
66.05860	1.2
67.05474	2.5
68.05006	2.4
69.07036	1.6
69.39749	3.8
69.40171	12.1
70.02925	2.6
70.06568	3.7
73.01134	10.3
74.00653	10.1
76.02207	4.5
76.03981	3.4
78.50326	1.3
79.05483	9.7
81.06599	2.1
81.07041	24.8
82.06558	2.2
82.50864	1.2
83.08603	13.1
84.04485	11.6
84.08131	2.8
85.01121	7.5
85.03994	1.4
86.99046	10.7
87.02642	1.7
88.02202	9.5
91.05450	1.8
93.07032	2.3
93.47077	1.3
95.08575	4.2
98.09673	5.7
99.02663	11.6
100.11241	47.2
102.03750	1.4
104.53716	1.4
104.66994	1.3
105.06997	4.1
107.08572	4.1
112.03945	15.7
112.11226	13.9
115.05775	15.5
116.01649	32.5
116.05290	23.3
124.11206	4.2
130.04990	12.4
133.10094	2.1
141.07301	21.5
144.01111	5.5
149.63312	1.3
158.09967	100.0
158.11736	52.2
159.10172	1.8
159.11751	1.9
162.02184	16.4
174.02203	1.8
187.03888	2.6
227.62755	1.5
239.03185	1.5
243.17618	1.8
244.10011	51.0
245.10223	1.6
261.03888	6.0
261.12650	64.3
261.22208	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	261.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07148	0.3
54.32521	0.3
56.96558	0.7
57.97362	0.3
59.38649	0.3
61.04967	0.3
70.02806	0.8
70.03218	1.0
71.16749	0.3
77.88400	0.3
89.53270	0.3
98.21149	0.5
98.97579	2.1
100.42480	0.3
101.00861	2.7
102.93123	0.3
108.12659	0.3
116.98620	1.7
119.01902	8.8
120.02023	0.3
120.46206	0.3
134.99684	1.2
137.02943	2.5
153.00839	0.4
158.99828	1.0
177.00923	17.2
178.00986	0.6
179.00650	1.0
182.99742	0.7
193.04172	0.4
195.02010	0.5
200.02541	0.4
201.00912	1.3
217.04152	2.5
218.03589	0.5
219.01968	23.7
220.02048	1.7
221.01717	2.9
222.01987	0.6
225.00795	2.1
237.98758	0.5
242.03522	0.5
243.01949	8.7
244.02066	0.6
261.03021	100.0
262.03156	5.8
262.28342	0.4
266.03693	0.6
279.00616	1.0
284.04639	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	260.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77903	0.5
55.01875	1.0
55.05508	1.9
56.05019	1.6
56.96291	0.9
56.96556	9.0
57.03426	1.4
58.06588	8.2
58.99845	0.5
61.02915	1.6
69.03417	0.8
69.07057	22.4
69.58067	0.5
70.06569	1.6
70.98106	1.6
71.70087	0.9
72.08143	89.0
73.02891	1.0
73.06541	3.6
73.08500	0.8
75.09234	4.5
77.00879	0.7
79.05479	1.8
82.06576	0.6
84.04498	3.8
84.08128	37.1
84.96009	0.8
85.02904	1.2
85.08474	0.6
86.09692	9.1
97.02862	0.8
97.06510	5.8
98.06052	3.1
98.09663	1.5
98.97562	10.3
101.00867	3.2
101.10789	0.6
101.35020	0.6
102.00969	1.1
102.96867	0.9
103.02428	0.7
106.47031	0.6
110.97568	0.9
112.11223	18.5
113.03480	4.3
113.98648	0.8
115.00581	0.6
115.02438	1.6
115.03909	1.0
115.07555	11.3
116.98595	7.1
119.01892	7.8
120.01974	4.7
121.01609	2.8
126.09128	5.3
128.98576	1.1
129.03929	0.8
129.10246	4.5
129.13870	3.1
130.04980	4.9
130.08565	1.8
131.01889	2.1
132.02003	0.8
133.03445	7.9
133.04967	0.9
134.03598	1.8
134.99631	2.4
135.03165	0.9
137.02925	1.6
138.03033	0.7
140.98518	0.7
142.01694	0.5
143.00095	0.7
143.01898	1.1
143.11781	2.6
146.16565	1.1
146.99637	2.1
147.04985	0.7
147.07614	6.7
147.11247	2.9
149.02966	1.5
150.03221	1.1
151.04497	1.7
152.04573	0.7
154.12250	5.5
155.01868	1.0
158.99675	0.8
160.02814	0.6
161.01239	0.9
161.02957	1.8
162.03061	1.0
165.00702	0.8
167.00107	0.7
168.13815	5.2
171.11243	0.7
171.14903	1.5
172.01439	0.7
172.13298	78.9
173.01291	1.2
173.02899	1.7
173.13672	1.6
176.00954	2.6
177.00735	3.2
177.02390	1.2
178.01051	0.7
178.02481	0.7
179.03958	1.1
183.99608	0.8
186.14862	13.9
187.00346	2.1
189.00735	1.0
189.02354	0.9
189.15962	8.7
190.02568	1.6
191.02299	1.4
191.03999	1.7
193.00247	0.7
194.02066	0.9
197.16447	0.8
201.00661	1.2
201.02368	1.6
203.17529	1.1
204.03419	0.7
207.01706	0.9
218.01906	3.1
219.01669	3.9
221.05052	1.2
224.07996	0.8
225.19565	1.6
229.01814	3.0
229.03423	1.7
236.03079	1.9
237.02716	2.4
239.00958	0.9
242.22119	1.7
243.16890	1.5
243.20644	41.3
244.20938	1.0
259.02319	0.9
259.99838	1.5
260.19885	4.3
260.23294	100.0
261.02969	6.8
261.05716	9.1
261.08279	1.0
261.23608	2.2
278.00931	2.6
278.04022	1.3
279.00656	1.3
279.03696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
56.05007	1.7
56.96554	4.1
58.06587	5.4
63.68592	0.7
65.76530	0.7
68.16352	0.8
69.03400	1.0
69.07061	21.7
71.69984	1.3
72.08146	100.0
73.06550	4.2
75.09216	3.3
79.05461	1.5
83.06097	1.1
84.04488	3.7
84.07653	1.3
84.08129	17.6
86.09692	8.5
91.02481	1.1
94.93020	1.1
97.06519	8.1
98.06033	1.5
98.09680	1.9
98.97585	3.7
101.00893	4.3
102.00941	1.0
103.00582	0.9
103.02425	3.3
110.97540	0.8
112.11222	8.4
115.07534	13.0
116.98605	1.6
119.01907	13.1
120.01992	5.7
121.01643	2.8
121.03466	1.9
125.01928	0.8
126.09113	3.4
128.98582	1.1
129.10217	2.2
129.13821	1.9
130.04956	0.9
130.08617	1.5
131.01897	3.2
133.01637	0.7
133.03430	7.9
134.03552	1.4
134.99609	1.3
137.02928	2.5
138.02959	1.9
140.03372	2.0
143.00171	1.2
143.01863	2.5
145.01668	1.3
145.03448	3.3
146.99623	1.7
147.01370	3.1
147.07649	1.4
147.11273	2.5
149.02954	1.1
151.04518	3.9
154.12260	5.5
155.01862	1.2
158.99638	1.1
161.02966	4.6
162.03110	1.1
163.04485	1.2
168.13835	1.4
171.01361	2.3
171.14941	1.2
172.01440	1.5
172.13304	99.4
173.02948	2.8
173.13687	1.8
174.01833	1.0
175.02739	0.9
176.01045	2.1
177.00636	1.2
186.03778	1.0
186.14833	5.5
187.00844	1.5
189.02415	6.2
189.15965	12.5
190.02541	3.0
192.04306	0.9
194.02029	1.1
198.06044	1.2
200.05528	1.4
201.00685	1.6
201.02425	2.8
203.17387	1.1
215.00340	1.9
218.02107	4.4
219.01711	3.2
219.03572	1.8
229.01926	3.2
231.03450	2.6
233.01357	0.9
236.03136	2.5
237.02766	2.9
243.01755	0.8
243.20656	37.6
260.23303	66.3
261.05997	6.0
261.23593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.7
53.03936	1.4
55.01853	2.1
55.05502	10.0
57.03428	1.3
57.07071	5.6
62.06081	0.8
62.81065	0.7
63.02366	0.7
63.22613	0.6
67.05494	22.0
69.07058	8.2
71.04986	1.4
71.08624	5.8
79.05482	18.3
81.07043	20.0
83.08601	3.7
85.06523	2.2
91.05466	39.4
91.32561	0.6
93.07034	17.6
95.04956	2.4
95.06493	0.6
95.08008	0.9
95.08592	16.3
97.06501	2.7
97.10118	2.0
99.08068	3.7
103.05417	1.7
105.03310	0.8
105.07014	58.9
106.07308	1.4
107.04929	2.0
107.08575	9.1
108.69084	0.7
109.06491	2.2
109.10153	5.1
111.08057	2.1
113.14958	0.7
115.05455	1.4
116.67228	0.7
117.07003	17.1
119.08561	34.5
121.06487	1.2
121.10139	7.5
123.08073	1.6
123.11696	1.8
128.06190	2.2
129.06982	11.9
130.07774	0.9
131.08549	19.4
133.06458	1.3
133.10115	30.1
135.08028	2.3
135.11673	5.2
137.09607	0.8
137.13182	0.8
141.06956	0.8
142.07777	1.7
143.08528	14.5
145.10106	20.7
147.08026	1.9
147.11667	26.6
149.09579	2.2
149.13248	3.0
151.11165	1.6
157.10109	10.3
159.11674	14.5
161.09647	2.2
161.13232	22.6
163.11147	1.8
171.11685	12.2
173.13237	13.1
175.11176	4.2
175.14810	9.7
177.12756	1.2
183.11650	0.8
185.13234	11.6
187.14813	2.0
189.12697	3.6
189.16310	0.8
199.14816	8.4
201.16411	1.3
203.14273	1.4
213.16331	1.9
215.18019	1.6
216.58835	0.7
217.15883	0.9
231.10252	0.7
231.21019	4.2
241.19479	27.1
241.27318	1.0
259.20554	100.0
259.28143	11.7
260.20889	2.4
260.39291	0.8
278.88675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03915	2.2
54.36109	2.2
54.64132	2.1
55.05506	11.0
57.07058	5.7
58.75118	2.1
67.05497	14.0
69.07054	40.9
71.04984	31.1
79.05475	6.9
81.07032	22.5
83.04977	5.9
83.08176	2.5
83.08581	11.4
85.06529	30.4
91.05470	15.6
91.67019	2.2
93.07048	16.0
95.04936	4.5
95.08595	18.4
97.06503	4.4
97.10172	3.4
99.79254	2.8
105.07008	34.4
105.89912	3.0
107.08578	16.0
108.16526	2.2
109.06504	7.9
109.10162	13.7
111.08038	13.0
117.07014	12.1
117.07700	2.1
119.08562	67.6
121.10114	17.2
123.08092	2.8
123.11694	29.2
129.06995	3.1
130.07800	3.0
131.08514	17.4
133.10110	43.7
135.07999	14.9
135.11688	6.2
137.09579	5.9
142.07753	2.8
143.08565	10.9
144.09366	2.2
145.10101	41.4
147.11661	27.4
149.09621	4.2
149.13203	3.4
151.11131	3.6
156.09303	5.1
157.10136	14.9
159.11673	35.4
160.12506	3.8
161.09566	2.5
161.13231	43.1
163.11201	3.2
170.10924	3.2
171.11646	17.6
173.13263	11.6
175.11110	4.2
175.14807	97.7
176.15553	3.9
177.12752	5.0
185.13203	17.9
189.12683	4.8
189.16399	9.3
190.13515	3.3
199.14766	6.6
201.16345	32.1
203.14285	10.1
215.17949	7.7
217.19519	5.5
219.41884	2.4
229.91232	2.9
241.19443	16.3
259.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	Bactacine
Peak:m/z	Relative Intensity
55.05497	1.7
57.07053	3.3
67.05501	5.8
69.07053	7.7
69.22748	0.7
70.30637	3.2
71.04962	2.0
79.05488	3.5
81.07043	30.0
83.08624	1.4
85.06523	1.5
91.05441	3.7
93.07027	6.1
95.04943	2.9
95.08594	13.4
97.06493	0.9
105.03324	0.7
105.07010	7.5
107.08585	5.6
109.06513	3.8
109.10141	6.9
111.08056	1.6
115.05397	0.7
117.07037	3.7
119.08565	11.1
121.06495	1.0
121.10118	5.4
123.08070	1.7
123.11684	59.5
124.11978	0.8
128.06143	1.1
129.06976	0.8
130.07880	0.8
130.17566	0.7
131.08546	5.7
133.10109	5.2
135.08026	9.9
135.11708	1.7
137.09584	9.9
143.08543	2.7
144.09351	1.0
145.10101	10.6
147.11690	4.9
149.09622	2.8
151.11304	0.8
152.68031	0.7
156.09319	0.7
157.10123	2.9
159.11670	8.6
161.09602	1.6
161.13240	2.5
163.11105	1.1
163.14745	1.3
165.12665	1.0
171.11676	3.2
173.13239	2.5
175.11241	1.1
175.14838	4.1
177.16469	0.8
185.13263	2.7
189.12787	1.5
189.16397	1.2
191.14267	1.7
195.16682	0.7
199.14769	1.4
201.16327	7.2
203.14293	1.2
215.17957	1.7
217.19508	1.4
241.19472	5.6
259.20541	100.0
260.20825	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01851	1.4
55.05502	23.6
57.03402	2.7
57.07073	4.0
62.75526	0.8
65.03921	0.9
67.05495	15.5
68.37964	0.7
69.03384	1.0
69.06734	0.9
69.07056	8.8
70.61576	2.7
71.04971	0.9
71.08621	8.6
79.05482	14.0
80.21015	0.7
81.06602	1.4
81.07044	16.8
83.04946	0.9
83.08600	9.9
85.06528	0.9
91.05468	34.4
93.07028	14.5
95.04933	3.0
95.08591	13.2
97.06512	2.4
97.10146	1.8
99.08087	7.6
103.05429	1.6
105.03368	3.4
105.07011	59.1
107.04930	4.7
107.08581	7.6
109.06444	1.4
109.10114	3.2
115.05441	3.6
117.06995	30.8
119.04906	2.6
119.08557	26.8
121.06494	13.4
121.10097	4.6
123.11731	1.0
125.09584	0.9
128.06192	4.1
129.01788	1.2
129.06981	24.8
130.07697	2.0
131.08542	27.3
133.06467	31.8
133.10104	23.0
135.08005	3.0
135.11690	3.6
139.16223	0.8
142.07765	1.8
143.08545	21.2
145.06531	1.1
145.10094	29.8
146.07224	1.5
146.10721	0.8
147.08031	10.0
147.10571	1.3
147.11668	18.3
149.09625	1.1
149.13226	2.6
156.09294	1.0
157.10109	15.2
159.11676	24.4
161.09589	1.7
161.13251	14.2
163.11139	1.7
163.14760	1.5
171.11664	16.7
173.13232	13.3
175.11140	2.7
175.14821	6.3
177.12778	4.1
185.13231	14.6
187.14830	5.4
189.12717	64.5
190.13112	0.9
199.14771	9.7
203.14304	1.6
213.16368	1.7
215.17978	1.6
217.15793	1.3
217.19440	0.8
231.21034	2.1
241.19478	20.2
259.20529	100.0
260.20883	1.9
273.43631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02362	1.1
53.03926	1.1
55.01852	2.6
55.05271	1.1
55.05499	13.7
57.03413	1.7
57.07069	10.1
58.07394	0.9
62.06082	2.0
63.54538	0.9
65.03915	1.1
67.05491	22.6
69.07059	12.1
71.04980	2.6
71.08616	12.7
71.70410	1.5
72.08972	0.9
79.05477	22.1
81.06603	1.7
81.07039	22.3
83.04960	2.3
83.08610	6.5
85.06538	2.1
85.10186	1.0
91.05462	43.6
93.06498	1.5
93.07029	17.1
95.04931	3.5
95.08587	17.8
97.06521	5.3
97.10157	1.7
99.08077	11.0
103.05434	3.1
105.07008	71.9
107.04922	2.8
107.08565	9.9
109.06506	2.4
109.10134	5.1
111.08067	3.5
113.09612	0.9
115.05416	2.0
117.06996	23.6
119.08556	27.4
121.06493	2.8
121.10082	7.2
123.07994	2.4
123.11666	1.9
125.09622	1.2
128.06171	5.8
129.06976	19.7
130.07779	2.5
131.08546	25.3
133.06458	2.7
133.10100	24.9
135.08022	4.0
135.11674	4.8
142.07736	3.3
143.08530	23.2
145.10097	35.1
146.10509	1.2
147.08011	3.7
147.11650	25.6
149.09598	2.6
149.13206	4.5
151.11122	1.4
155.08496	1.0
156.09323	1.6
157.10106	14.2
159.11646	15.3
161.09593	3.1
161.13235	32.8
163.11147	3.6
163.14751	1.3
170.10838	1.4
171.11656	17.8
173.13213	15.9
175.11174	8.4
175.14778	14.5
177.12692	4.2
185.13229	17.0
187.14868	5.4
189.12709	5.6
199.14751	10.1
203.14308	2.1
204.60458	0.9
204.87660	0.9
213.16405	1.9
215.17902	3.7
231.21049	4.4
232.93254	1.2
241.19460	35.3
241.27298	2.2
259.20529	100.0
259.28198	32.7
260.20837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01849	1.0
55.05502	12.9
57.07064	4.3
58.65887	1.0
67.05493	20.3
69.07056	8.3
70.49387	0.8
70.56563	1.9
70.56962	1.6
71.04944	1.6
79.05480	18.0
81.06618	1.0
81.07048	16.9
81.63573	1.0
83.08595	5.7
85.06537	1.0
91.05463	43.5
91.43494	0.8
93.07026	19.5
95.04961	2.2
95.08024	0.9
95.08592	14.1
97.06494	3.6
97.10141	2.2
99.08066	1.5
103.05440	3.0
105.07010	84.2
107.08575	10.0
108.45917	0.8
109.06538	1.3
109.10171	4.7
111.08062	1.9
115.05437	3.0
116.06219	1.5
117.06161	2.0
117.06998	39.4
119.08559	46.7
121.06469	1.3
121.10133	6.5
123.08107	1.2
125.09563	1.1
128.06175	4.8
129.06989	17.1
130.07755	1.9
130.73851	0.9
131.08548	42.0
133.10104	40.1
133.11127	1.4
135.08063	1.2
135.11650	5.1
141.06949	2.0
142.07748	2.9
143.08536	21.0
145.08963	1.9
145.10106	33.3
147.07954	1.0
147.11658	31.5
149.09569	1.9
149.13219	3.1
156.09311	1.5
157.10097	14.7
159.11662	49.2
161.09544	1.1
161.13225	25.2
161.14542	1.6
163.11061	1.1
163.14836	1.2
171.11658	21.6
173.13232	34.8
175.11205	1.0
175.14818	8.4
177.12601	1.6
185.13222	22.5
187.14772	3.1
189.12718	1.8
199.14774	15.9
201.16379	1.0
213.16370	3.4
215.17876	3.1
231.17497	1.0
231.20892	2.0
241.19478	31.8
241.21951	1.8
241.99409	1.0
259.20535	100.0
260.20764	2.1
274.56885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2051
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.01943	0.4
53.03926	1.2
55.01844	0.9
55.05499	10.0
57.00321	0.4
57.03419	1.5
57.07065	3.0
59.63619	0.3
63.16603	0.4
65.03920	1.4
67.05489	21.5
69.07055	7.7
71.04978	1.8
71.08620	1.4
71.70787	0.5
72.08141	3.5
73.08465	0.9
77.03885	0.6
79.05476	18.4
80.05787	0.4
81.07040	19.3
83.04945	0.7
83.08606	3.4
85.06523	2.7
90.09192	2.8
91.05461	44.1
91.09497	1.0
93.07024	18.6
95.04955	3.0
95.08588	12.9
97.06498	1.8
97.10145	0.7
99.08059	1.7
103.05463	1.2
105.07008	54.2
106.07367	0.8
107.08567	10.2
109.06486	0.8
109.10143	5.5
111.08049	1.7
113.09634	0.5
115.05437	1.4
117.06992	15.3
118.07773	0.6
119.08556	44.0
121.06483	1.1
121.10126	6.6
123.08052	0.7
123.11700	0.9
123.92277	0.5
125.09544	0.5
128.06190	2.2
129.06976	9.7
130.07753	1.1
131.08542	17.7
132.09279	1.1
133.06506	0.6
133.10101	34.7
135.08011	2.0
135.11673	4.3
137.09593	0.7
137.13205	0.5
139.11124	0.6
141.06995	0.5
142.07747	1.4
143.07423	0.6
143.08533	8.9
144.09288	0.4
145.10091	15.4
147.07973	0.9
147.11656	28.3
148.11948	0.5
149.09598	1.9
149.13226	3.2
151.11151	0.7
155.08510	0.4
156.09285	0.7
157.10115	8.6
159.11659	13.5
160.12285	0.5
161.09598	1.2
161.13228	18.9
163.11118	1.7
163.14809	1.5
163.41071	0.5
165.12717	0.7
169.10144	0.7
170.10881	0.5
171.11650	11.3
173.13223	8.8
173.14584	0.7
175.11180	1.6
175.14795	10.7
176.97231	0.4
177.12666	1.4
184.12456	0.5
185.13235	9.9
187.14827	2.4
189.12694	1.8
189.16322	0.8
199.14781	5.6
201.16380	0.5
203.14272	1.0
212.86426	0.3
213.16339	1.6
215.17867	1.5
217.15826	0.9
217.19525	0.6
231.17393	0.9
231.21017	3.4
241.19453	19.4
259.20523	100.0
259.28168	18.0
260.20917	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2051
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02385	0.3
51.90191	0.3
53.03930	1.0
55.01858	1.3
55.05499	10.3
57.03421	2.0
57.07059	2.3
65.03926	1.3
67.05490	21.2
69.03383	0.4
69.07052	6.9
70.45439	0.7
70.45828	1.0
71.04985	1.5
71.08619	0.8
77.03910	0.4
79.05477	17.5
81.03399	0.4
81.07037	20.9
83.04969	0.8
83.08604	2.9
85.06525	2.3
91.05460	40.1
92.05772	0.4
93.07024	18.1
95.04945	1.9
95.08585	13.9
97.06516	2.3
97.10157	0.9
98.21456	0.3
99.08068	1.8
103.05422	2.0
105.07005	56.8
106.07327	0.3
107.04954	0.5
107.08568	9.0
109.06495	1.0
109.10135	4.8
111.08047	1.1
113.09631	0.4
115.05432	1.2
116.06166	0.4
117.06995	13.5
118.07755	0.5
119.08555	40.4
120.08924	0.3
121.06496	0.5
121.10118	6.6
123.08054	0.6
123.11668	1.5
125.09581	0.4
128.06195	2.1
129.06970	7.7
130.07747	1.1
131.08537	18.9
132.09354	0.5
133.06459	0.6
133.10100	34.9
135.08029	1.1
135.11667	5.0
137.09572	0.4
139.11150	0.4
141.06915	0.5
142.07785	1.6
143.08533	8.5
144.09286	0.5
145.10095	16.7
146.10809	0.5
147.08034	1.7
147.11653	28.0
148.11972	0.4
149.09616	1.6
149.13222	3.2
151.11133	0.5
155.08522	0.4
156.09291	0.6
157.10092	8.0
159.11662	14.4
161.09633	1.5
161.13228	20.1
163.11118	1.2
163.14804	1.3
165.12631	0.5
169.10077	0.7
170.10757	0.5
171.10176	0.5
171.11658	10.5
173.13223	8.3
175.11327	1.4
175.14795	12.3
177.12730	1.4
183.11598	0.4
185.13222	10.9
186.13805	0.3
187.14806	2.1
189.12697	1.9
189.16302	0.8
191.14285	0.5
197.13245	0.4
199.14772	5.5
201.16412	0.7
203.14304	0.6
212.82259	0.3
213.16269	1.8
215.17966	2.1
217.15906	0.7
217.19493	0.6
231.17383	0.6
231.20998	3.2
241.19467	22.1
242.19928	0.5
259.20517	100.0
260.20801	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.6
52.14309	0.4
53.03938	0.9
55.01843	1.5
55.05499	9.9
57.03430	2.4
57.07072	3.1
65.03925	1.6
66.46270	0.4
67.05495	21.6
69.07058	8.4
71.04983	2.9
71.08621	0.8
71.71566	0.8
79.05019	0.9
79.05480	17.4
81.03381	0.6
81.07043	21.4
83.04953	1.1
83.08601	3.2
85.06516	2.6
87.84334	0.5
91.05464	44.4
93.07030	20.0
95.04941	1.9
95.08595	12.8
97.06519	2.6
97.10153	1.3
99.08051	1.7
103.05432	1.6
105.03380	0.7
105.07013	55.7
107.04910	1.4
107.08585	10.9
108.08086	0.7
109.06511	0.8
109.08383	0.5
109.10131	4.4
111.08057	1.5
113.09642	1.3
115.05434	1.6
116.01157	0.5
116.06232	0.6
117.07002	15.6
118.07762	0.8
119.08560	45.0
121.06493	0.7
121.10125	7.4
123.08007	0.9
123.11670	1.4
126.48297	0.5
128.06213	1.8
129.06992	8.1
130.07770	1.2
131.08546	19.6
133.06570	0.6
133.10107	33.7
135.08003	2.0
135.11671	4.5
136.07536	1.4
137.07852	0.8
137.09584	0.7
139.11125	0.5
141.07004	0.7
142.07748	1.0
143.08525	8.8
144.09225	0.5
145.06343	0.6
145.10098	15.9
147.08011	1.8
147.11659	27.1
149.09601	1.7
149.13237	3.3
151.11134	0.7
155.08575	0.7
156.09317	0.7
157.08862	0.7
157.10101	9.2
159.11676	14.5
161.09547	2.0
161.13235	19.6
163.11139	1.4
163.14763	1.2
169.10179	0.7
171.04358	0.5
171.11667	12.2
172.04669	0.8
173.04131	0.7
173.13225	9.2
175.11157	2.1
175.14792	10.3
176.14320	0.7
177.12781	1.0
179.14302	0.7
185.13234	9.9
187.14818	2.6
189.12721	1.6
191.14394	0.7
199.14816	5.8
201.16296	0.8
203.14311	1.0
213.16418	2.6
215.17882	1.2
217.15913	0.8
231.17404	0.6
231.21013	4.2
241.11784	5.9
241.19470	20.8
242.11160	4.2
242.19992	0.5
259.20532	100.0
260.20892	2.6
260.25751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03935	0.7
55.01854	0.8
55.05501	9.1
55.42289	0.4
57.03413	1.8
57.07064	2.8
57.36004	0.4
60.72829	0.4
65.03928	1.0
67.05495	18.4
69.07057	7.0
71.04987	2.4
71.08611	1.0
79.05017	0.9
79.05477	16.7
81.07040	19.1
83.04953	0.6
83.08601	3.1
85.06528	3.2
91.05465	39.6
93.07027	18.1
95.04942	2.2
95.08592	12.6
97.06503	2.0
97.10125	1.5
98.21453	1.2
99.08059	1.8
103.05437	1.4
104.06232	0.4
105.07013	57.2
107.08573	10.0
109.06495	1.1
109.10148	4.8
111.08060	1.1
115.05453	1.4
117.06998	12.8
119.08560	38.4
121.06478	0.6
121.10145	6.0
123.11665	1.2
125.09628	0.7
128.06204	1.9
129.06981	9.2
130.07751	1.3
131.08546	17.6
132.09323	0.6
133.06465	0.9
133.10106	32.7
135.08009	1.4
135.11668	3.8
137.09605	0.9
141.06950	0.7
142.07762	1.2
143.08536	7.7
145.10101	14.8
146.10803	0.7
147.08049	1.3
147.11664	24.8
149.09598	1.7
149.13222	3.3
151.11183	0.6
157.10094	9.6
159.11668	14.7
161.09599	1.6
161.13232	19.0
163.11157	1.3
163.14786	1.2
165.12695	0.7
170.10793	0.7
171.11664	11.2
173.13243	7.9
175.11168	1.9
175.14804	10.7
177.12698	1.8
185.13234	8.9
186.13834	0.5
187.14761	1.5
189.12665	1.2
189.16385	0.8
191.14261	0.7
199.14778	4.9
201.16406	0.5
203.14317	0.7
213.16333	2.1
215.17883	1.6
217.15898	0.6
224.72014	0.6
231.17397	1.1
231.21065	3.1
241.19470	19.6
259.20535	100.0
260.20789	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	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.27681	1.2
53.03922	1.4
55.01846	2.9
55.05502	12.4
57.03416	1.8
57.07069	10.6
65.50335	1.5
67.05497	19.3
69.07053	11.1
70.40947	5.6
71.08630	12.3
75.78462	1.3
79.05479	19.5
81.07047	20.2
83.05010	1.8
83.08591	5.8
85.06540	1.9
91.05463	46.9
93.07042	17.2
95.04939	3.3
95.08595	15.7
97.06499	6.7
97.10168	1.9
99.08076	9.9
103.05448	3.8
105.07011	75.8
107.04924	4.1
107.08569	8.1
109.06494	3.6
109.10130	4.6
111.08062	1.8
115.05443	2.4
117.06993	23.6
119.08553	31.7
121.06490	2.5
121.10145	7.5
123.08026	3.2
128.06201	4.9
129.06987	19.6
130.07768	2.5
131.08548	23.0
133.06454	1.8
133.10103	19.9
135.08037	6.4
135.11656	2.7
142.07697	2.1
143.08542	23.8
145.10100	37.1
147.08009	3.3
147.10585	1.8
147.11681	27.2
149.09599	1.9
149.13199	4.4
153.12721	1.8
155.08582	1.5
157.10097	14.9
159.11693	15.0
161.09581	5.6
161.13228	32.0
163.11160	3.2
163.14807	2.2
165.12953	2.0
170.10837	1.5
171.11658	23.0
173.13202	12.0
175.11148	4.2
175.14789	27.9
175.16205	2.4
177.12679	2.2
178.18201	1.4
185.13210	15.3
187.14836	3.5
188.11861	1.6
189.12674	5.0
199.14798	9.9
203.14267	1.6
213.16386	2.1
215.17941	5.0
224.33130	1.4
231.17429	1.9
231.21152	3.2
238.77089	1.6
241.19469	36.6
258.79492	1.6
259.20544	100.0
260.20712	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	259.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.5
56.05018	1.5
58.06581	3.3
58.99559	0.6
68.04998	0.4
69.03394	0.6
69.60222	3.0
69.60635	1.0
70.06561	1.0
71.08617	12.4
72.08142	2.5
81.07045	0.7
84.08129	4.2
85.01091	0.8
87.04446	0.7
98.06036	3.3
98.09677	2.5
99.08076	18.8
102.05527	0.6
113.04221	0.9
115.26645	0.4
116.01668	1.2
116.07052	0.6
122.09601	0.5
125.10733	3.0
126.09124	16.3
128.10680	1.9
143.11783	5.1
144.10156	1.9
156.08423	1.3
156.10202	1.8
156.13811	100.0
157.14111	1.4
170.15395	2.4
199.18054	1.8
199.59541	0.4
216.06772	0.7
241.19019	3.6
242.17493	2.0
259.05753	0.8
259.11139	3.8
259.20129	41.1
260.20468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1901
Annotation	Dibutyl adipate
Peak:m/z	Relative Intensity
50.33706	1.3
51.38466	1.4
53.03931	3.7
55.01848	4.8
55.05502	80.6
56.05015	1.8
56.31136	1.3
57.02137	1.3
57.03164	2.4
57.03426	38.4
57.06840	1.2
57.07065	13.8
59.04982	2.3
61.80501	1.2
67.05492	24.8
69.03399	2.0
69.07054	100.0
69.82086	1.3
70.86003	1.3
71.04984	7.6
71.08599	6.1
71.69923	1.5
73.06544	2.6
74.09042	1.3
79.05479	21.8
81.06550	1.7
81.07042	38.5
83.04980	9.1
83.08605	86.0
84.08101	2.9
85.06535	8.7
87.08134	1.8
91.05463	7.7
93.07026	32.7
95.04951	2.6
95.08585	18.9
97.06511	30.8
97.09586	2.3
97.10162	27.9
98.09661	4.4
99.08027	2.7
101.05992	2.8
105.06974	5.3
107.08573	33.5
109.10124	9.4
111.08067	15.2
113.04213	2.2
115.07535	3.4
118.35986	1.4
119.08539	3.7
121.10130	11.6
123.11672	3.9
125.09592	13.7
125.13267	2.7
131.04912	1.8
133.02734	1.4
133.10056	3.2
135.04372	2.6
135.08031	1.7
143.08438	2.1
149.13229	58.3
156.10193	2.9
159.11604	1.7
163.03915	7.4
167.14278	24.0
171.11563	2.7
173.02275	3.8
185.15323	1.4
189.11263	2.0
201.16237	1.8
215.07011	2.5
217.04984	3.0
231.08034	2.0
238.09518	1.9
241.17691	2.0
259.09592	6.0
259.18958	93.8
260.19592	1.8
267.51758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.3
61.96859	1.4
70.06537	1.5
71.08255	4.4
71.70683	1.6
72.08126	4.3
81.04534	1.5
84.04475	1.9
97.02877	1.3
116.98485	1.7
122.93916	1.5
124.59330	1.3
165.01839	3.2
181.99200	1.5
183.02837	3.6
213.41400	1.5
241.19156	1.6
259.04214	100.0
259.16580	2.6
267.82910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07090	1.8
57.45176	1.6
62.42536	1.9
70.65152	7.1
72.08124	5.9
74.54250	1.6
84.08112	2.7
97.02844	2.1
98.91060	1.8
119.01987	2.2
119.08550	2.1
134.68550	1.8
156.17192	1.7
165.01752	2.8
183.02821	2.0
259.04205	100.0
259.16824	2.1
268.52060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01860	9.2
55.05501	10.3
56.05029	13.9
58.99583	13.6
61.01129	3.1
67.05486	4.1
68.05001	4.0
69.07048	5.9
69.96978	3.5
69.97395	7.8
71.08118	1.3
73.01123	2.2
74.00643	2.6
76.02205	4.4
76.03974	3.4
79.05480	53.9
80.04997	6.8
81.05791	2.0
81.07046	36.5
82.06555	12.4
83.08597	3.0
84.04487	9.4
84.08128	2.4
85.01113	100.0
85.04009	7.6
86.00637	27.5
86.99016	5.1
88.02193	6.1
88.03959	1.6
91.05449	2.9
92.01675	2.3
93.05733	1.7
93.07019	4.9
94.06543	8.1
95.04939	3.8
95.07330	2.9
95.08595	5.5
96.08105	12.2
97.01096	4.1
97.06512	3.5
97.08923	10.4
98.09673	31.3
105.07015	7.5
108.08077	4.1
109.08876	4.1
110.09653	14.1
111.02645	3.0
112.03947	12.9
113.03551	3.4
113.04208	89.8
116.01659	21.0
116.98669	2.0
119.55035	1.4
122.09636	10.7
122.74795	1.6
123.10420	3.1
127.05678	1.5
130.04982	42.9
131.04544	3.3
139.05762	7.1
143.02716	3.7
144.01100	4.1
145.06021	2.2
156.08398	72.8
156.10176	39.5
162.02214	7.3
173.02377	2.3
177.03314	10.1
189.03294	9.2
215.06996	2.4
235.17307	1.5
242.08408	15.6
259.11093	57.1
259.13788	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	4.5
58.99863	6.6
70.06566	1.7
70.31281	6.6
70.31552	1.7
70.99847	8.5
72.08122	4.3
73.01384	1.4
77.00886	7.9
82.99827	2.3
84.08116	3.0
89.00900	7.1
89.01344	1.5
91.02428	4.3
95.01900	1.7
98.97569	16.6
101.00864	27.0
103.02385	1.7
109.03539	1.5
115.02392	4.2
116.98600	11.6
119.01901	93.9
120.01962	1.9
128.01019	1.4
131.01869	4.7
133.03444	40.3
134.87375	1.4
134.99622	4.5
137.02943	21.9
142.03455	2.6
147.01392	2.3
149.02934	11.5
151.04509	17.5
156.05003	1.5
156.99794	7.5
158.99614	1.6
161.02946	8.6
163.04521	2.4
167.04039	1.6
170.11674	3.5
171.01343	9.0
175.00864	78.2
176.00963	1.8
177.00609	1.6
179.04037	2.0
189.02420	49.0
190.02501	1.9
191.04002	2.4
193.01895	26.4
198.02380	2.4
199.00758	3.7
199.02345	3.2
206.50824	1.4
207.03558	1.9
217.01910	100.0
218.02029	2.6
231.03452	2.7
235.02975	55.7
240.03581	3.3
241.18925	1.6
245.01402	3.2
249.04462	3.3
258.21725	3.1
258.99826	6.8
259.04315	15.2
259.22153	1.5
277.00815	11.4
277.03662	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	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.3
57.03207	1.1
57.03432	13.9
57.07065	1.9
67.05491	15.3
69.07044	4.5
69.89548	4.3
69.89951	2.2
71.04965	1.2
71.08608	1.4
72.08134	1.5
77.03912	1.2
79.05481	11.0
81.07040	12.2
83.08609	5.6
85.06517	1.8
91.05468	17.6
93.07050	7.5
95.04916	1.4
95.08593	11.1
99.08077	4.4
103.05445	1.6
105.07013	17.1
107.08553	5.0
109.06475	2.6
109.10133	3.4
115.05414	3.5
116.06219	1.8
117.06998	36.4
119.08567	11.5
121.10139	4.7
123.08078	1.9
128.06212	4.4
129.06987	28.1
130.07756	4.6
131.08548	34.5
133.06474	1.4
133.10091	7.1
140.49832	1.0
141.06926	6.1
142.07739	4.3
143.08542	27.9
144.09331	2.1
145.06476	1.8
145.10106	55.0
147.08067	1.5
147.11671	6.8
149.09599	2.8
154.07816	1.1
155.08508	6.7
157.10110	22.9
159.08029	1.5
159.11679	32.9
161.09579	4.4
161.13254	2.4
163.11163	2.2
168.09290	2.4
169.10103	13.4
171.11658	13.5
173.09599	2.2
173.13220	14.4
175.11180	3.9
181.09995	1.2
182.10933	1.4
183.11659	14.0
185.13235	78.6
187.11101	3.1
187.14830	1.5
195.11623	1.1
197.13211	13.8
199.14792	3.4
201.12735	2.7
201.16362	5.1
210.14081	1.5
211.14803	4.3
213.16283	1.9
215.14241	1.4
215.17969	1.4
229.19449	6.6
239.17931	24.9
257.18976	100.0
257.26642	3.1
258.19363	2.5
258.27859	6.7
262.78506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.65017	1.6
52.00780	1.6
53.03927	2.0
55.05500	9.0
57.03425	1.9
57.07065	2.4
65.03916	1.5
67.05142	1.7
67.05494	25.9
69.07040	5.8
69.42966	3.8
69.43370	12.5
71.04992	2.2
79.05488	14.3
81.07043	21.3
83.04953	2.4
83.08588	4.0
85.06509	2.1
90.59610	1.5
91.05466	26.5
93.07034	10.2
95.04945	2.3
95.08588	16.9
95.98554	1.5
97.06506	3.8
103.05447	2.2
105.07011	17.9
105.20485	1.5
107.08569	6.7
109.10148	5.5
115.05456	4.3
116.06211	2.9
117.07002	56.2
119.08559	18.4
120.49937	1.4
120.82339	1.3
121.10091	5.5
123.08054	2.2
128.06210	8.4
129.06984	23.7
130.07751	6.4
131.08545	76.4
133.06432	5.3
133.10103	9.7
135.08025	4.6
135.11642	1.6
137.09563	2.4
141.06990	12.7
142.07732	6.7
143.08549	28.7
144.09296	3.2
145.06459	4.3
145.10098	100.0
145.48062	1.9
147.07985	4.6
147.11642	5.4
149.09589	3.6
154.07726	2.2
155.08543	15.1
156.09369	1.8
157.10106	35.7
159.08038	4.2
159.11678	45.4
161.09567	4.6
161.13223	4.2
168.09303	2.9
169.10095	24.6
171.11655	32.0
171.13040	2.1
173.09618	3.8
173.13231	21.6
175.11148	5.3
183.11662	22.0
185.13208	7.1
187.11147	3.8
187.14821	2.5
189.12669	2.3
196.12422	1.9
197.13235	20.8
199.14763	4.4
201.12689	4.5
210.13945	2.8
211.14813	7.9
213.16345	3.9
215.14311	5.4
215.17912	3.3
229.19533	5.1
239.17903	35.2
257.18964	96.9
257.26901	2.2
257.30194	1.6
258.19135	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	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03923	1.8
55.01854	2.2
55.05500	8.8
57.03407	1.4
57.07049	1.8
59.68385	0.6
63.02355	0.5
65.03926	1.3
65.99701	0.5
67.05141	1.0
67.05491	18.2
69.03413	1.4
69.07045	6.3
71.04967	1.5
79.05024	1.0
79.05475	13.7
81.03455	0.6
81.07039	18.1
82.48792	0.5
83.04948	2.9
83.08585	3.5
85.06548	0.9
91.04919	1.1
91.05462	22.0
93.06494	1.1
93.07025	11.9
95.04967	3.1
95.08588	15.0
97.06500	2.8
97.10125	1.1
98.21557	1.5
101.64127	0.6
103.05410	0.6
105.07005	20.4
107.04922	2.0
107.08567	6.3
109.06506	4.3
109.10136	5.1
111.08067	1.5
113.53175	0.6
115.05420	3.5
116.06215	2.3
117.06993	26.3
119.08555	14.0
121.06475	2.2
121.10129	5.0
123.08052	2.7
123.11681	1.0
125.53510	0.7
128.06209	4.1
129.06982	16.6
130.07742	2.6
131.04866	1.0
131.08542	47.3
133.06476	6.0
133.10098	11.6
135.08028	3.1
135.11647	1.7
137.09604	1.3
141.06950	6.4
142.07729	3.9
143.08531	15.1
144.05774	0.7
144.09322	0.9
145.06430	5.9
145.10089	50.2
147.08037	5.4
147.11664	7.3
149.09596	4.2
149.13231	0.9
151.11148	0.7
153.06967	1.2
154.07755	0.9
155.08542	8.9
156.09229	1.1
157.10103	18.9
158.07187	1.0
158.10837	0.8
159.08049	5.7
159.11659	25.6
161.09596	8.4
161.13235	2.9
163.11151	2.7
167.08501	0.8
168.09355	1.5
169.10112	10.2
170.10834	1.1
171.11659	15.7
173.09567	6.4
173.13222	14.2
175.11145	8.9
175.14806	2.1
177.12683	1.3
181.10056	1.3
182.10876	1.1
183.11658	12.8
185.13277	5.3
187.11140	8.5
187.14816	2.8
189.12674	4.2
195.11635	1.1
197.13206	10.5
199.10942	0.6
199.14822	3.3
201.12735	7.6
201.16312	1.4
210.14008	1.0
211.14815	3.5
213.16426	4.0
215.14276	4.7
215.17963	2.1
229.15837	1.8
229.19429	5.5
229.94081	1.3
230.24831	1.7
239.17897	23.0
257.18951	100.0
258.19370	3.6
258.24170	1.4
267.26794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72229	0.8
55.01864	1.2
55.05507	11.7
57.03423	2.0
57.07062	1.7
59.04969	1.2
67.05495	24.0
69.07046	3.7
69.53934	7.3
69.67901	1.0
71.04987	1.0
78.17181	0.8
79.05470	6.6
81.07050	10.5
83.08601	3.2
91.05463	12.6
93.07024	4.0
95.04948	1.2
95.08610	6.2
97.06506	2.3
105.07007	14.4
107.08588	2.8
109.10132	4.2
115.05436	3.5
117.06994	20.6
118.07325	0.9
119.08595	4.9
120.54425	0.9
121.10084	1.3
128.06184	4.9
129.06981	11.1
130.07748	4.1
131.08546	36.9
132.08842	1.1
133.06451	1.0
133.10127	4.6
135.08031	1.2
135.11717	1.3
141.06993	5.2
142.07796	3.4
143.08545	24.5
145.10103	100.0
146.10410	1.5
147.07982	1.5
147.11725	3.3
149.09572	1.5
153.06975	1.3
154.07730	1.4
155.08513	6.0
156.09250	1.7
157.10109	10.9
159.08073	1.7
159.11662	18.5
161.09607	2.2
161.13225	1.8
168.09334	1.3
169.10100	9.2
171.11658	19.3
173.09752	1.1
173.13213	9.2
175.11134	1.7
182.10901	1.4
183.10130	1.6
183.11670	13.6
185.13242	2.9
187.11150	3.8
187.14816	1.8
189.12656	0.9
197.13254	10.5
199.14813	1.7
201.12679	1.7
211.14703	3.0
213.16414	2.6
215.14368	1.1
215.17876	1.4
223.69574	1.0
229.19525	2.7
239.17924	17.0
257.18970	57.6
257.30289	5.1
258.19342	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	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.04265	1.2
55.05499	11.3
57.03415	3.0
63.94932	1.2
67.05490	21.9
69.07048	6.7
70.50435	1.9
70.50823	2.7
71.04987	1.6
74.58945	1.1
78.57978	1.3
79.05473	11.4
81.07038	19.4
83.04953	1.7
83.08594	3.2
85.06538	2.2
91.05462	18.7
92.79311	1.2
93.07029	9.9
95.04954	2.8
95.08588	13.3
97.06484	3.1
105.07008	20.2
107.08556	5.6
109.06491	2.3
109.10138	3.3
115.05411	4.0
115.50352	1.1
116.06205	2.4
117.06997	41.1
119.08572	15.5
121.10114	5.2
128.06168	6.5
129.06975	21.8
130.07751	6.3
131.08543	69.3
133.06418	4.1
133.10129	10.2
135.08028	2.9
135.11707	2.2
137.09583	2.0
141.06932	8.7
142.07756	5.2
143.08527	20.8
144.09311	2.3
145.06464	3.0
145.10098	87.1
147.07990	3.9
147.11646	7.7
149.09612	1.7
154.07739	1.4
155.08505	13.1
156.09460	1.4
157.10088	29.8
159.08014	4.5
159.11659	43.2
159.12964	2.6
161.09607	3.2
161.13261	3.0
165.12643	1.8
167.08572	2.2
168.09325	3.1
169.10092	19.7
171.11665	30.9
173.09572	3.5
173.13231	24.7
175.11134	5.9
181.10109	1.4
182.10956	2.2
183.11653	22.8
184.68054	1.3
185.13206	7.2
187.11168	3.5
187.14787	2.1
189.12679	3.0
197.13219	19.3
199.14850	2.8
199.87637	1.1
201.12648	3.5
201.16277	1.2
211.14778	7.8
213.16330	7.0
215.14204	3.3
229.19453	6.1
239.17924	35.9
246.34059	1.2
257.18970	100.0
257.30438	1.2
258.19275	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	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01844	1.0
55.05503	10.3
55.38190	0.6
56.97117	0.6
57.03434	5.5
57.07074	1.3
65.03928	1.5
67.05495	21.5
69.07062	4.3
71.71513	0.8
79.05479	7.0
81.07051	10.0
83.08595	3.8
85.06539	0.7
91.05470	12.9
93.07037	4.8
95.04964	0.8
95.08595	7.1
97.06534	1.2
97.10135	1.0
99.08089	2.0
105.07017	12.9
107.04944	0.9
107.08562	3.3
109.06515	0.9
109.10128	4.1
111.08079	0.8
115.05383	2.6
116.06236	1.5
117.07003	23.6
119.08547	6.0
121.10104	1.6
125.09626	0.9
128.06197	5.8
129.06989	13.8
130.07782	5.2
131.08551	32.6
132.20393	0.7
133.06438	0.9
133.10101	3.1
135.08018	1.1
135.11688	1.3
141.06972	4.9
142.07779	3.1
142.76070	0.6
143.07413	1.3
143.08542	23.2
144.09297	1.4
145.06444	1.9
145.10101	100.0
146.10452	1.3
147.07967	0.6
147.11719	3.1
149.09558	0.9
153.07002	0.6
154.07738	1.4
155.08540	5.9
156.09349	1.5
157.10103	13.5
159.08063	0.7
159.11670	24.3
159.49155	0.7
161.09590	2.2
161.13211	1.0
163.11180	1.0
167.08582	0.7
168.09319	1.0
169.10110	9.4
170.10857	0.7
170.61415	0.6
171.11667	18.5
173.13255	10.6
175.11183	1.3
181.10153	0.8
182.10841	1.2
183.11662	12.1
184.12363	0.6
185.13223	16.1
187.11217	2.1
187.14783	1.2
189.12689	0.9
197.13222	10.6
198.13966	0.7
199.14809	1.9
201.12680	1.1
201.16359	1.0
210.13980	0.8
211.14766	2.4
213.16353	1.7
215.14342	1.1
224.15446	0.8
229.19539	2.3
239.17905	19.8
242.83113	0.6
257.18970	58.5
257.30252	2.2
258.19281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.05492	3.2
59.04977	1.1
62.99822	1.2
67.05486	9.4
68.12125	1.0
69.03390	1.5
69.07045	3.7
70.55829	1.1
71.04969	3.0
71.51775	1.9
71.52102	1.3
72.08131	1.5
74.49679	1.0
79.05499	7.9
81.07037	6.9
83.08578	3.2
85.06507	2.0
91.05463	11.0
93.07033	15.6
95.04936	4.5
95.08586	9.8
97.06490	1.6
99.08051	1.0
103.05416	2.0
105.07014	26.6
107.08589	14.5
109.06499	6.5
109.10139	11.3
110.69967	1.0
111.08049	2.4
115.05412	1.0
117.07023	5.8
119.05984	1.2
119.08560	21.6
121.10125	97.6
122.10487	1.2
123.08063	5.7
128.06183	2.7
129.06976	7.2
130.07753	1.6
131.07642	1.5
131.08556	14.9
133.07581	1.3
133.10121	9.6
135.08034	17.9
135.11670	3.9
137.09586	3.8
141.06926	1.6
142.07759	4.1
143.08557	17.0
144.09221	1.5
145.10107	25.3
147.07948	2.0
147.11665	4.1
149.09581	4.1
151.11128	1.7
154.07784	2.0
155.08551	4.2
156.09341	2.5
157.10107	18.5
158.10762	1.4
159.08017	1.5
159.11671	11.8
161.09547	1.8
161.13196	2.4
163.11143	3.8
169.10097	9.8
171.11700	10.9
173.09639	2.2
173.13243	17.3
175.11295	1.8
175.14764	1.3
177.12750	1.4
182.10916	1.2
183.11693	8.9
184.12393	3.5
185.13231	3.0
187.11116	3.8
187.14822	1.9
196.12505	1.4
197.13185	8.0
199.14799	35.5
201.12708	6.3
211.14839	1.4
213.16310	8.7
214.17133	2.1
215.14348	2.1
215.17937	5.8
239.17906	16.2
257.18967	100.0
257.26608	2.4
258.19379	2.4
258.27942	6.2
277.43042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.32867	1.0
53.03952	1.1
55.01873	1.3
55.05501	6.7
57.03421	3.0
57.07056	1.9
67.05498	15.8
69.03400	1.0
69.07056	7.7
70.13097	4.1
71.04984	2.5
79.05494	8.5
81.07050	13.6
83.04968	2.4
83.08595	3.4
85.06541	2.5
86.62260	1.1
91.05468	13.9
93.07033	10.8
95.04948	2.8
95.08585	12.4
95.86118	1.0
97.06507	3.0
97.10139	1.1
99.08074	1.5
105.07016	16.4
107.08591	10.0
109.06508	4.0
109.10143	7.8
111.08053	1.6
115.05450	2.6
116.06206	1.5
117.07004	24.7
119.08559	16.9
121.10126	12.9
123.08088	1.9
125.09547	1.3
128.06206	4.0
129.06981	12.9
130.07747	4.3
131.08548	38.6
133.06476	2.5
133.10121	10.6
135.08044	4.4
135.11671	2.9
137.09589	3.2
141.06935	5.3
142.07806	6.0
143.08539	19.5
144.09288	2.5
145.06462	2.5
145.10107	55.4
147.08006	1.7
147.11633	6.2
149.09576	2.6
154.07758	1.0
155.08566	7.7
155.43800	1.1
156.09286	2.8
157.10110	26.6
158.10835	3.7
159.08011	3.0
159.11668	34.6
161.09630	3.6
161.13292	2.2
163.11186	2.5
167.08519	1.3
168.09277	3.2
169.10132	12.8
170.10863	1.2
171.11685	20.4
173.09608	4.0
173.13243	25.7
174.14017	2.2
175.11215	6.0
175.14815	2.0
181.10042	1.3
182.10913	2.4
183.11667	16.3
184.12454	1.7
185.13197	6.7
187.11179	6.3
187.14780	4.9
189.12714	3.6
195.11736	1.4
196.12564	1.5
197.13264	15.3
199.14815	13.2
201.12704	8.5
201.16415	1.4
209.13295	1.1
210.14021	1.9
210.92557	1.2
211.14764	3.7
213.16356	6.5
214.17128	1.4
215.14301	4.6
215.17964	4.5
224.15640	1.8
229.19420	2.6
239.17905	23.2
257.18973	100.0
257.30487	1.2
258.19360	3.1
258.27869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	0.6
55.01862	0.5
55.05503	9.2
57.03428	2.3
57.07055	1.7
59.04991	0.6
59.64089	0.5
65.03916	0.8
66.07331	0.4
67.05494	22.5
69.07053	2.4
70.04849	2.3
71.04985	0.9
79.05474	5.6
81.07045	7.2
83.04994	0.4
83.08615	2.2
85.06510	0.7
91.05466	8.4
93.07023	3.0
95.04944	0.8
95.08591	3.9
97.06512	1.1
97.10165	1.2
103.05447	0.7
105.07007	9.2
107.08587	2.4
109.10140	4.6
109.72756	0.4
115.05433	1.8
116.06207	1.0
117.06197	0.5
117.06998	11.8
119.08555	3.7
119.52429	0.4
121.10141	1.3
123.08071	0.6
125.09618	1.0
128.06187	4.9
129.07004	6.1
129.07875	0.8
130.07770	5.3
131.08548	24.7
133.10114	3.8
141.06976	2.9
142.07745	1.9
143.08542	21.7
144.09146	0.4
145.06454	1.3
145.10098	100.0
146.10439	2.0
147.08049	0.8
147.11690	2.4
149.09579	0.8
153.06946	0.6
154.07735	1.1
155.05966	0.5
155.08514	4.4
156.09363	0.9
157.10112	7.4
158.10896	0.5
159.08099	0.6
159.11664	11.1
161.09622	0.9
161.13234	1.0
163.11346	0.5
168.09407	0.7
169.10110	7.3
171.11665	19.0
172.12051	0.8
173.09642	0.6
173.13235	4.3
175.11154	0.9
182.10872	0.9
183.11667	11.9
185.13272	3.1
187.11143	2.3
187.14818	0.8
197.13240	8.7
199.14864	0.6
201.12726	0.9
210.13890	0.5
211.14832	1.5
211.62814	0.4
213.16437	1.2
215.14272	0.7
219.01669	0.5
229.19551	1.2
231.55963	0.5
239.17906	12.1
257.18970	39.3
258.19287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05499	3.7
57.07034	1.3
67.05492	4.7
69.07046	4.9
70.23814	3.4
70.24218	2.2
71.04980	4.7
79.05487	7.2
79.92307	1.4
81.07047	5.7
83.04982	1.6
83.08583	2.5
85.06541	2.2
91.05464	9.0
93.07042	13.8
95.04945	4.0
95.08607	10.0
104.29544	1.4
105.07018	22.7
107.08584	14.0
109.06499	7.7
109.10118	8.2
111.08038	2.0
115.05441	1.7
117.07000	4.3
119.08552	21.5
121.10127	77.7
123.08044	4.2
123.11662	2.0
128.06195	3.6
129.06992	5.4
131.08527	11.8
133.10138	11.3
135.08035	13.1
135.11649	4.0
137.09563	5.3
142.07753	6.1
143.08533	16.7
145.10104	19.8
147.08000	1.8
147.11650	3.9
149.09598	3.9
150.55670	1.7
151.11096	1.6
155.08499	4.5
156.09259	3.3
157.10104	22.2
158.10817	3.3
159.11681	21.1
161.09622	2.9
161.13240	1.7
163.11108	3.5
168.09322	2.2
169.10120	11.4
171.11659	11.4
173.13226	23.0
174.14070	2.8
175.11119	3.0
175.14809	2.3
181.09935	1.4
182.10817	1.9
183.11613	9.0
184.12447	3.4
185.13094	1.7
187.11127	7.7
187.14764	5.4
189.12689	1.6
195.11646	2.1
197.13202	8.1
199.14793	40.0
201.12811	8.7
211.14912	2.4
213.16336	12.4
214.17101	2.0
215.14291	2.9
215.17897	8.7
239.17903	14.8
257.18967	100.0
258.19312	4.1
258.35724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47820	1.4
53.03934	5.1
54.33838	1.1
55.01852	4.0
55.05503	28.0
55.39942	1.3
57.03428	51.3
57.07060	5.1
59.04987	1.7
65.03927	2.6
67.05495	83.7
69.03416	3.0
69.07059	35.4
70.06582	2.2
70.29740	4.8
71.01350	10.3
71.04980	8.1
71.08605	1.8
72.08147	1.9
79.05484	71.1
81.03411	10.1
81.07044	49.6
83.04970	21.1
83.08624	10.6
84.08128	2.0
85.02905	1.5
85.06522	7.8
89.56321	1.3
91.05463	30.1
93.07031	88.8
95.04963	10.5
95.08593	18.8
97.06522	21.6
97.10160	21.0
98.98457	31.8
99.04403	1.4
99.08083	3.1
100.98899	2.1
105.07006	9.0
107.04942	3.4
107.08574	51.6
109.06493	3.9
109.10148	15.4
111.08044	4.2
111.11703	6.1
117.07009	8.9
119.08549	12.3
121.06470	2.3
121.10123	14.7
123.11694	2.3
125.09634	3.9
130.07782	2.6
131.08572	1.8
133.10110	8.5
135.08093	1.9
135.11673	100.0
137.09592	3.5
142.07758	1.3
145.10106	19.6
149.13223	2.2
153.12726	3.6
155.08499	1.9
159.11664	1.9
163.11179	12.5
171.11595	1.5
181.12206	16.2
199.13258	2.0
213.16533	1.6
237.18651	1.6
244.27251	1.3
245.69041	1.3
255.11293	2.0
255.15781	35.4
256.15610	1.8
274.98990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03924	0.6
55.01862	0.5
55.05504	9.5
57.03424	2.8
57.07055	1.0
59.04983	0.8
65.03917	0.8
67.05495	23.1
69.03401	0.5
69.07064	3.0
70.06561	0.5
71.04979	1.2
71.06926	0.3
71.70132	0.5
71.70570	0.5
79.05486	3.8
79.08282	0.4
81.07044	7.8
83.04990	0.3
83.08612	2.5
84.84687	0.3
85.06528	1.2
89.80073	0.4
91.05467	7.5
93.07041	2.7
95.04949	0.6
95.08595	4.3
96.34415	0.3
97.10140	0.9
98.10581	0.3
99.08062	0.6
103.05450	0.7
105.07000	8.2
107.08586	2.1
109.06509	0.6
109.10136	4.5
111.08035	0.5
115.05452	1.6
116.06202	0.9
117.07001	10.8
119.08575	2.2
121.10126	0.7
123.08067	0.4
125.09611	1.3
128.06187	4.9
129.06987	5.9
130.07767	4.9
131.08546	21.4
133.06474	0.6
133.10097	2.3
135.11707	0.6
141.06972	3.3
142.07753	1.3
143.08539	19.9
144.09323	0.8
145.10098	100.0
146.10419	1.7
147.07948	0.4
147.11674	1.6
153.07043	0.6
154.07753	1.1
155.08537	4.0
156.09302	1.0
157.10083	5.8
159.08054	0.5
159.11674	12.4
159.12967	0.8
161.09567	1.1
167.08455	0.5
168.09323	1.1
169.10101	7.4
170.10773	0.4
171.11674	18.2
172.12059	0.4
173.09651	1.1
173.13223	3.6
175.11192	0.9
181.10046	0.5
182.10930	0.7
183.11661	10.5
185.13242	6.3
187.11165	1.4
197.13226	9.0
197.14931	0.7
199.14783	0.6
201.12630	0.5
201.16566	0.4
210.13972	0.7
211.14813	1.5
213.16283	0.7
215.14218	0.4
228.08928	0.5
229.13368	0.5
229.19514	1.6
239.17912	11.5
242.10503	0.7
257.13342	1.7
257.18982	33.4
258.19293	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18496	1.3
53.03917	3.7
55.01846	4.5
55.05503	32.5
57.03426	55.5
57.07042	4.5
58.73717	1.1
65.03929	1.9
67.05496	90.1
69.03390	3.0
69.07057	25.8
69.77882	1.0
70.84357	4.1
71.01324	5.4
71.04980	8.6
74.61582	1.4
77.61186	1.2
79.05483	80.3
81.03407	9.8
81.07045	40.7
83.04517	2.0
83.04971	25.6
83.08598	7.7
85.06538	7.0
85.42956	1.1
91.05463	37.3
93.07030	84.6
95.04942	9.9
95.08596	11.2
97.05939	1.8
97.06511	19.9
97.10146	16.9
98.35440	1.4
98.98465	10.7
99.08041	4.8
105.04524	1.7
105.06993	8.0
107.04891	3.5
107.08578	54.7
109.06475	2.2
109.10137	9.7
111.08038	3.3
115.05405	1.5
117.07019	7.5
119.08556	10.1
121.06422	1.6
121.10143	12.1
125.09566	4.9
130.07701	1.7
133.10118	6.7
135.11674	100.0
136.11893	1.8
137.09531	3.4
145.09158	1.2
145.10106	17.6
153.12625	1.5
163.11154	11.2
171.11583	1.5
181.12207	14.1
197.13174	1.4
199.10995	1.5
199.13077	1.1
203.75298	1.1
255.15778	48.7
255.21118	1.7
261.67633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.89589	2.3
53.03938	3.7
55.01859	4.1
55.05500	29.3
57.03162	3.2
57.03429	55.2
57.07055	7.2
67.05492	84.8
69.07053	30.6
69.44901	27.1
70.83241	2.4
71.01337	7.5
71.04978	7.0
76.04404	2.3
79.05482	71.2
81.03416	12.8
81.07047	35.1
83.04964	27.7
83.08601	5.7
85.06517	8.5
91.05460	31.7
93.07028	90.0
95.04967	9.0
95.08592	13.7
97.06517	25.6
97.10159	16.5
98.20713	4.4
98.98441	8.5
100.37251	2.5
105.07032	8.2
107.04945	3.2
107.07906	5.2
107.08577	56.9
109.06505	3.4
109.10166	12.3
111.08058	3.3
117.07009	8.7
119.08555	10.1
121.10102	13.6
125.09608	5.1
133.10126	4.8
135.11668	100.0
137.09625	2.8
145.10091	22.9
145.98903	2.3
147.52213	2.5
150.91733	3.0
163.11142	11.5
181.12230	17.0
255.15788	51.0
255.25060	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47044	1.4
53.03922	3.6
55.01861	6.4
55.05503	31.5
57.03429	55.0
57.07051	4.6
65.03896	2.3
65.39927	1.4
67.05495	89.0
69.03426	1.9
69.06702	1.2
69.07058	28.6
69.81953	7.9
71.01311	5.5
71.04974	6.4
79.05482	80.2
80.05808	1.5
81.03407	10.8
81.07048	43.0
83.04966	23.4
83.08582	5.5
85.02886	1.7
85.06522	7.5
88.07550	1.6
91.05465	37.7
93.07030	88.0
95.04948	11.1
95.08592	12.1
96.88889	1.5
97.06519	20.0
97.10152	17.1
98.20700	2.2
98.98450	10.7
99.08047	4.2
105.07029	9.1
107.04904	2.8
107.08578	54.3
107.40970	1.1
109.06522	2.6
109.10123	9.5
111.08032	3.5
117.07000	12.0
119.08568	10.9
121.06461	4.3
121.10114	11.0
125.09605	3.9
130.07700	1.5
133.10100	4.4
135.08000	2.6
135.11673	100.0
136.11977	2.4
137.09572	2.5
143.08530	2.6
145.10109	16.9
153.12689	3.5
163.11183	14.5
173.13315	1.2
175.39786	1.1
181.12186	14.9
208.37881	1.2
208.40083	1.2
217.65717	1.3
255.15837	55.4
256.26260	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	255.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84084	1.5
53.03924	6.3
55.01846	4.4
55.05503	28.7
57.03427	51.7
57.07060	5.2
57.39061	1.6
65.03899	2.3
67.05492	83.5
69.03396	1.7
69.07053	25.0
69.41349	2.4
69.41753	16.1
71.01337	5.1
71.04986	8.0
73.02884	1.8
79.05478	76.1
81.03393	12.0
81.07043	40.8
83.04968	26.0
83.08602	8.2
85.06543	7.4
91.05462	34.5
93.07030	84.6
95.04949	8.6
95.08585	12.5
97.06513	19.6
97.10163	17.6
98.21406	3.5
98.98449	22.8
99.08047	2.9
102.09162	1.6
105.07012	9.4
107.04937	4.6
107.08573	58.5
109.06523	2.0
109.10114	8.9
111.08059	3.9
117.06998	9.4
119.08570	12.1
121.06470	2.7
121.10094	13.4
125.09689	3.1
130.07732	2.1
133.10072	5.8
135.08025	2.6
135.11671	100.0
137.09604	3.5
143.08536	4.3
145.10085	18.8
153.12675	2.4
163.11134	12.8
171.11624	1.6
175.03860	4.4
181.12183	13.6
255.06511	5.6
255.10133	3.0
255.15776	50.5
256.26352	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	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
54.60449	0.9
55.01848	4.3
55.05239	1.4
55.05504	28.2
57.03428	55.9
57.07058	4.1
59.73705	1.0
65.03918	2.3
66.81244	1.1
67.05493	82.4
69.03411	1.6
69.07057	24.8
69.74524	6.8
69.74943	1.9
71.01331	5.2
71.04971	6.9
79.05480	81.3
81.03408	10.5
81.07040	38.0
83.04963	22.4
83.08606	6.6
85.06542	5.1
91.04925	1.9
91.05466	33.6
93.07027	84.3
95.04945	10.6
95.08575	13.4
97.06515	22.1
97.10155	16.7
98.98433	4.6
99.04422	1.3
99.08068	3.5
105.07024	6.4
107.04920	3.7
107.08575	54.1
107.75772	1.1
109.06534	1.6
109.10123	8.6
111.08045	2.9
117.07001	8.1
119.08566	9.1
121.06465	4.5
121.10114	10.9
125.09608	3.7
130.07776	2.0
133.10101	6.8
135.08047	2.2
135.11667	100.0
136.12015	1.6
137.09593	3.0
140.13097	1.1
145.10091	17.4
153.12708	2.4
163.11142	12.0
181.12183	13.9
209.30602	1.1
255.15842	51.8
261.11896	1.1
261.24258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03936	6.4
54.03465	2.2
55.01857	2.0
55.05503	26.9
56.07214	1.9
57.03157	3.9
57.03428	54.4
57.07072	3.1
63.60760	2.3
65.05981	2.2
67.05493	91.5
69.07059	22.3
71.01346	9.1
71.04980	6.9
71.16281	5.1
71.94296	2.1
75.07191	1.9
78.82753	2.1
79.05480	82.4
81.03419	11.1
81.07044	39.4
83.04973	26.4
83.08603	7.4
85.06545	6.2
91.05468	34.4
92.38195	2.4
93.07030	92.7
95.04956	11.7
95.08583	12.2
97.06527	18.6
97.10161	14.1
98.98457	3.4
99.08086	3.4
105.07005	4.4
107.04944	2.9
107.08581	50.9
109.06496	2.6
109.10143	8.0
111.08048	3.9
117.07001	8.4
119.08535	11.2
121.06441	3.3
121.10130	10.0
125.09613	5.4
127.57061	2.0
130.07748	2.6
133.10109	4.7
134.03958	2.1
135.08070	3.6
135.11678	100.0
137.09608	3.0
145.10104	23.7
163.11171	9.6
181.12218	14.8
249.38652	2.5
255.15808	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35719	1.4
53.03930	4.7
55.01853	4.7
55.05500	29.7
57.03427	58.7
57.07063	4.1
65.03930	1.8
67.05491	89.0
69.03416	1.6
69.07053	29.6
69.48935	1.6
71.01332	5.4
71.04973	9.2
71.08642	5.2
79.05479	75.5
81.03410	12.3
81.06548	1.9
81.07042	40.3
83.04964	23.7
83.08604	8.8
83.54945	1.6
85.06516	4.4
91.05463	37.4
93.07027	90.4
94.07402	1.7
95.04960	10.3
95.08591	12.5
96.89824	1.6
97.06515	26.0
97.10152	19.0
98.98436	15.1
99.08073	3.7
105.04526	2.4
105.07027	9.1
106.85297	1.7
107.04963	3.2
107.08570	60.2
109.06471	2.1
109.10136	11.6
111.08071	3.6
111.11725	1.7
113.05992	1.9
117.07002	9.5
117.65048	1.6
119.08556	12.0
121.06470	2.4
121.10130	13.7
125.09610	3.3
129.06924	1.6
130.07770	1.7
133.10094	6.3
135.08035	1.8
135.11670	100.0
137.09558	2.5
139.65617	1.7
143.08522	1.6
145.10083	18.4
153.12715	2.7
157.10161	2.2
163.11188	14.9
167.08472	2.6
181.12215	18.0
197.13110	2.4
199.13271	2.0
221.84746	1.5
237.16374	1.9
255.06537	1.4
255.15723	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	255.1586
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03923	4.1
55.01854	3.0
55.05502	28.7
57.03428	52.0
57.07051	4.6
61.77714	1.5
65.03897	2.5
67.05493	83.2
69.03405	2.2
69.07053	22.1
71.01320	4.3
71.04964	8.2
79.05480	81.8
81.03402	11.0
81.07043	39.7
83.04507	2.3
83.04967	24.5
83.08580	6.2
85.06514	5.0
91.04932	2.4
91.05466	30.2
93.07030	85.7
95.04946	10.1
95.08595	11.3
97.06512	24.3
97.10165	16.4
98.98453	11.5
99.04420	1.9
99.08054	4.3
105.04474	1.5
105.07005	9.3
107.04922	2.4
107.08578	53.2
109.06480	2.6
109.10130	9.0
111.08016	3.8
117.07014	8.5
119.07774	1.5
119.08576	9.4
121.06481	3.8
121.10129	11.7
125.09582	5.6
133.10078	5.1
135.08017	1.8
135.11671	100.0
137.09538	2.3
145.10091	18.5
153.12660	2.3
163.11174	12.1
181.12186	14.4
200.71597	1.5
231.74588	1.3
255.15816	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.0
55.01849	4.7
55.05505	33.0
57.03167	3.1
57.03429	41.3
57.07050	8.3
65.03919	2.5
67.05494	77.3
69.07065	28.6
71.01342	4.5
71.04974	6.7
71.23463	4.5
71.23807	3.8
72.08127	12.1
73.08469	4.8
79.05482	73.4
81.03385	8.8
81.06595	4.4
81.07041	39.8
83.04955	21.7
83.08598	10.5
85.06506	8.2
91.05457	30.8
93.07028	78.9
95.04934	9.9
95.08566	11.4
95.65858	2.8
97.06522	20.2
97.10175	15.9
98.98454	74.7
99.08084	2.8
105.07004	11.4
107.04839	4.1
107.08569	53.9
108.08943	3.6
109.06490	12.3
109.10148	14.0
110.06824	5.7
110.70763	2.8
111.08058	6.9
117.07008	7.1
119.08549	13.9
121.06458	4.8
121.10111	13.3
125.09606	2.9
129.06992	3.1
131.08556	3.0
133.10110	5.5
135.08066	5.7
135.10622	4.8
135.11667	100.0
136.08391	2.9
137.09599	4.6
143.08554	7.6
143.40898	2.4
145.10097	18.9
155.08533	4.1
157.10167	5.5
159.11690	6.0
163.11169	9.8
169.10159	3.7
171.11633	3.6
178.13051	5.9
181.10020	3.2
181.12204	13.8
188.52225	3.1
197.13232	6.2
199.11249	2.8
213.16321	3.8
237.16478	3.5
255.15421	34.2
255.21027	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	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03926	4.7
55.01871	3.5
55.05505	28.6
57.03429	50.0
57.07057	9.4
67.05495	88.3
69.03432	3.4
69.07054	25.2
71.01342	4.6
71.02075	3.5
71.02417	3.4
71.04975	7.5
79.05019	4.2
79.05482	77.3
81.03397	8.4
81.07046	42.5
83.04977	32.1
83.08613	5.1
85.06515	5.9
91.05464	33.3
93.06425	4.1
93.07029	84.2
95.04948	7.9
95.08067	2.3
95.08607	15.0
97.06514	23.2
97.10150	19.3
98.98461	20.0
99.08056	4.0
101.55703	2.0
105.07037	11.3
107.04950	2.4
107.08579	56.4
108.08940	1.9
109.06483	2.6
109.10139	13.6
111.08055	3.3
117.07036	10.8
119.08590	12.9
121.06457	4.6
121.10109	13.0
125.09608	6.5
129.07007	1.8
130.07800	2.4
133.10132	6.2
135.08046	5.2
135.11671	100.0
137.09608	3.0
141.97867	1.8
143.08548	4.4
145.10121	20.1
163.11168	10.9
169.09985	2.3
181.12241	15.8
195.13776	7.9
222.09537	1.8
239.38326	1.9
255.15645	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84057	1.2
53.03915	5.5
55.01852	4.4
55.05505	28.1
57.03428	56.6
57.07050	3.9
58.54968	1.3
65.03905	3.0
67.05495	83.2
69.03419	1.7
69.07058	27.3
70.95532	4.0
71.01333	4.2
71.04985	7.3
79.05481	82.5
80.69215	1.1
81.03399	10.1
81.07043	41.3
83.04965	23.5
83.08609	7.8
85.06520	6.7
91.05470	30.0
93.07030	84.4
95.04953	9.8
95.08596	11.2
97.06514	24.6
97.10157	17.5
98.98445	18.8
99.04440	2.2
99.08049	4.9
100.48514	1.4
103.05345	1.5
105.07014	8.0
107.04913	3.0
107.08578	53.5
109.06458	2.8
109.10145	9.3
110.60368	1.4
111.08041	4.3
111.11705	1.3
117.07016	7.0
119.08551	12.1
121.06429	4.3
121.10123	13.0
125.09576	3.6
130.07710	1.8
133.10057	5.0
135.07983	2.5
135.11671	100.0
137.09587	2.9
139.28555	1.2
143.08505	1.9
145.10088	17.8
150.68459	1.3
151.11203	1.6
153.12688	3.6
157.10031	1.4
163.11172	13.4
164.42755	1.3
171.11623	1.1
181.12187	14.8
183.11685	1.4
197.13144	1.6
199.13235	1.7
222.24557	1.3
255.15794	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	5.9
55.01845	3.6
55.05503	30.9
57.03429	51.1
57.07040	4.9
57.91603	1.4
65.03920	3.3
67.05493	87.3
69.03400	2.6
69.07063	26.0
69.75154	7.6
69.75582	5.0
71.01312	5.8
71.04980	8.6
76.23558	1.6
79.05482	77.4
81.03404	10.5
81.07042	40.4
83.04967	21.3
83.08575	6.4
85.06529	7.1
85.87376	1.3
91.04929	1.9
91.05466	33.5
93.07027	87.8
95.04935	9.7
95.08591	11.9
97.05958	1.9
97.06515	21.5
97.10152	18.7
98.98450	14.2
99.08007	2.2
100.98836	1.7
105.04510	2.1
105.07019	8.1
107.04863	2.0
107.08575	56.5
109.06449	3.0
109.10148	8.5
111.08063	3.7
117.07012	10.0
119.08577	12.0
120.07890	1.3
121.06457	3.5
121.10136	11.4
124.02000	1.4
125.09584	3.9
133.10081	4.1
135.07999	2.2
135.11671	100.0
137.09634	3.7
143.08502	2.3
145.10097	23.8
147.47813	1.4
153.12689	5.6
163.11185	14.1
181.12206	14.9
217.43152	1.4
255.15811	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01864	2.3
56.96556	7.0
57.03426	3.8
58.99841	0.6
59.04978	0.8
61.02913	2.0
63.67768	0.3
69.03410	2.5
70.02935	0.4
70.06580	0.5
70.16328	1.7
70.25210	0.3
70.98109	1.5
71.01330	1.1
71.04983	0.4
73.02902	3.0
73.04724	0.4
74.06055	1.0
77.00890	0.6
77.22273	0.4
78.03450	0.8
80.04999	2.0
81.03381	0.4
85.02895	3.0
86.09702	0.6
87.04460	0.6
88.99131	0.8
91.05767	0.6
95.06076	0.4
96.04466	1.1
96.40717	0.3
97.02878	1.8
98.20768	0.6
98.97565	2.5
98.98438	1.1
100.02484	0.8
101.00857	0.7
103.02467	0.4
103.03937	0.6
106.02903	6.1
106.03587	0.6
110.07130	1.3
110.97533	0.5
115.02405	1.0
115.03907	1.8
116.98629	1.8
117.01850	0.4
119.01919	2.9
123.05534	100.0
124.03947	0.4
124.05901	0.6
126.98795	0.5
127.03864	0.4
128.98582	0.8
129.04015	0.4
130.93320	0.5
131.00188	0.4
131.01895	1.0
132.05020	0.5
133.03484	1.0
133.04922	2.7
134.99635	1.2
137.02953	1.1
142.03368	0.4
143.01859	0.6
144.99808	4.3
145.03418	0.8
146.99649	0.9
147.05095	0.4
149.02904	0.5
152.07138	0.5
153.05734	0.6
159.01425	0.6
161.02878	0.8
163.00854	1.3
163.04544	0.6
168.05058	0.4
171.01355	0.7
172.97583	0.9
172.99324	1.2
173.03011	0.4
174.97604	0.4
175.00797	0.4
177.00830	1.3
177.02457	1.6
187.00740	0.7
189.02287	0.4
189.03766	0.7
190.98666	2.2
191.00143	0.4
192.98764	0.8
195.03305	0.5
196.01343	0.7
197.00777	0.4
201.00845	0.9
201.02487	0.6
203.05290	0.6
205.01868	1.5
208.99637	0.8
212.98822	0.4
213.03673	0.8
218.98137	1.4
219.02029	1.1
230.98082	0.8
231.00003	0.6
231.10760	0.5
232.10240	1.5
232.99620	1.1
233.01563	0.5
233.03481	0.6
236.99149	0.9
243.05240	0.7
248.99178	0.4
249.99467	0.5
251.00383	0.8
251.02539	1.2
255.09726	0.8
256.03098	2.0
273.02850	0.4
274.04047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61891	100.0
76.70819	11.1
81.22127	10.9
83.85400	10.8
99.37577	10.0
117.49234	10.1
137.72226	11.0
150.56210	11.7
254.97414	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.4
55.49191	0.5
55.70447	0.5
56.96543	0.9
57.03424	5.1
61.02920	1.9
69.03420	3.1
70.00000	3.0
71.01340	0.9
73.02905	4.0
77.00881	1.1
77.70910	0.5
78.03434	1.1
78.61288	0.6
80.05011	2.8
81.03386	0.6
85.02898	5.1
85.97743	0.6
87.04440	0.8
89.27841	0.5
89.62605	0.5
91.02415	0.5
96.04464	1.8
97.02876	2.5
98.98441	4.4
100.02460	0.7
101.00898	1.4
106.02909	6.3
110.07138	1.9
115.02454	0.8
115.03922	1.5
117.04007	1.2
119.01884	3.8
123.05533	100.0
124.03940	0.7
124.05854	0.6
126.98690	0.7
127.03909	0.6
128.66029	0.6
131.01898	1.3
133.03482	1.2
133.04980	2.9
135.05032	1.3
137.02940	0.7
143.01871	1.1
144.99805	7.5
145.03461	2.1
149.02901	0.7
152.69371	0.7
155.01859	0.8
159.01384	0.5
161.02930	1.6
163.00902	2.3
163.04616	0.7
172.99365	1.2
173.02930	0.6
174.04454	1.0
177.02457	2.2
185.02969	2.0
187.00917	0.7
189.02467	0.9
191.00356	1.6
197.02968	0.6
205.01973	1.4
221.05264	0.6
230.99918	0.8
245.05101	1.3
251.02356	0.9
255.06345	1.2
256.03043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84829	0.3
55.01858	2.0
57.03433	3.4
61.02908	1.2
69.03429	1.8
70.36495	1.4
71.01328	1.0
73.02914	2.5
78.03441	1.4
80.05009	3.1
85.02894	2.4
96.04472	1.1
97.02869	1.1
98.98429	0.3
106.02904	6.7
106.54704	0.3
115.03909	1.1
119.01900	0.3
121.49505	0.3
123.05537	100.0
124.03932	0.7
124.05877	1.0
133.04951	2.1
169.52432	0.3
169.86469	0.3
221.16048	0.3
238.19670	0.4
255.09709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62304	4.0
55.01845	9.0
55.05495	8.2
56.96554	100.0
57.03418	8.3
61.02907	8.7
64.95528	6.7
67.05494	5.0
69.03403	16.8
70.06569	17.0
70.92416	3.9
71.01344	28.2
71.05002	4.3
73.02905	6.7
75.04462	6.1
79.05461	5.5
81.03400	8.8
81.04518	4.5
81.07037	8.4
82.92864	5.3
83.06080	15.0
84.04456	8.8
84.08119	12.2
84.94431	8.0
84.96027	11.7
85.02886	16.9
93.04499	5.9
95.04995	6.3
95.06072	16.7
97.02866	12.5
98.06016	12.5
98.20644	7.9
98.97565	18.3
98.98448	80.5
103.03944	11.7
106.35693	4.6
107.04926	7.3
107.96008	26.8
109.02811	5.3
110.07144	50.2
112.07570	7.4
114.95442	5.3
116.00235	5.1
116.98634	21.9
117.01866	6.5
119.01900	12.4
120.08070	20.8
120.97932	5.1
121.08412	33.1
123.04617	4.4
123.05533	27.7
123.95499	21.3
125.07079	4.6
127.98831	5.3
131.01895	7.7
131.03374	23.0
133.01636	8.5
133.03474	5.5
134.01326	5.9
134.99640	13.9
141.96490	7.2
143.00110	6.4
145.03430	4.8
145.05000	9.9
146.99605	16.6
148.03981	9.1
157.04950	7.7
158.99615	9.6
159.02850	48.1
162.99103	7.4
163.12248	26.2
166.04965	11.1
167.11765	7.3
167.98082	12.0
170.94409	19.8
170.99538	4.4
176.50838	4.5
176.98999	7.0
177.00716	11.9
177.96565	7.1
187.02565	6.3
188.95500	8.8
189.02284	5.3
190.13359	9.6
190.98598	4.9
191.05412	6.1
195.11235	33.9
197.51381	7.4
205.00191	5.1
208.14445	24.5
208.99602	7.3
219.04958	33.7
220.85501	4.3
223.01237	4.4
229.00165	8.2
248.99170	29.0
253.98050	5.2
254.15024	29.3
267.00232	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	254.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43357	1.1
53.03920	1.6
55.01864	18.4
55.05499	8.2
56.05036	1.6
57.03423	6.0
57.07061	2.7
60.04501	4.9
67.05514	6.5
69.03400	2.5
69.07051	7.8
70.06568	1.6
71.04982	2.5
71.69968	2.0
71.72256	1.3
72.08144	54.3
79.05490	9.5
79.69324	1.2
81.03396	3.5
81.07051	9.2
83.04970	2.8
83.08607	2.4
85.06523	3.6
86.09702	1.9
91.05463	6.3
93.07033	10.3
95.04961	6.7
95.08586	5.8
97.06522	30.1
98.09683	1.9
98.98456	33.2
102.09143	1.7
105.07014	3.2
107.08564	8.9
109.06503	100.0
109.10149	1.7
111.08059	9.9
113.06046	1.5
114.09172	13.5
117.07006	4.4
119.08553	3.5
121.06440	1.9
121.10091	4.0
122.09657	1.5
123.08047	13.7
125.09639	1.7
126.03727	1.6
131.08546	3.0
132.01352	1.3
133.06517	1.5
133.10088	2.1
135.08046	11.0
135.11694	3.2
136.07526	2.8
138.09126	2.8
139.07512	9.3
145.09927	1.2
149.13258	5.3
150.50502	1.2
151.11186	2.4
156.10168	2.0
159.11679	4.7
176.14359	2.9
177.12718	43.9
194.15417	2.8
195.13753	6.5
236.16466	3.1
254.10077	1.6
254.17485	6.9
269.89297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03939	3.8
55.01849	2.0
55.05502	64.1
57.03431	4.9
57.07068	15.2
58.22348	1.8
66.87608	1.6
67.05495	65.7
69.03420	2.6
69.07057	85.0
70.61009	6.2
71.04996	8.9
71.08623	4.9
79.05473	27.1
81.03375	3.0
81.07042	100.0
83.04966	4.7
83.08605	52.8
85.06530	10.7
85.10167	3.0
86.08842	1.6
91.05463	27.8
93.07027	36.3
95.04967	3.2
95.08593	75.0
96.89072	1.6
97.06525	12.7
97.10156	41.5
98.98449	96.8
99.08079	9.6
100.98904	2.4
105.07018	20.0
107.08580	29.8
109.06490	3.6
109.10137	38.4
111.08069	10.5
111.11697	18.4
113.09647	2.8
116.99519	1.7
119.08559	24.6
121.10125	40.2
121.10986	3.2
123.08069	5.4
123.11677	14.9
125.09621	6.3
125.13277	4.2
133.10121	31.0
135.11681	35.0
137.09604	6.9
137.13229	7.8
139.11163	8.1
147.11688	16.5
148.70692	1.7
149.09618	1.8
149.13228	7.3
151.11157	9.2
151.14851	5.9
153.12711	5.2
161.13249	19.1
163.14775	2.2
165.12747	7.7
175.14821	6.4
179.14334	4.9
191.17914	3.5
193.19502	6.4
197.11778	3.4
217.19479	34.2
221.62523	1.7
225.21938	1.9
235.20523	23.5
253.08453	2.0
253.14374	9.4
253.21548	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	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.7
70.87991	4.7
71.01338	7.1
73.48235	1.9
75.04473	11.5
87.04441	2.9
89.02412	2.8
98.98447	5.4
103.03930	18.9
119.36012	2.1
131.03401	4.0
133.66594	2.1
136.75244	2.1
159.02855	53.4
162.21289	2.8
179.72612	2.2
219.04961	100.0
254.17412	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	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	9.5
67.55336	3.0
70.88085	9.5
70.96371	3.4
71.01334	10.7
75.04469	23.1
75.04832	4.1
83.29088	3.1
87.04450	5.2
89.02350	4.6
98.98431	11.8
103.03934	30.3
131.03351	6.8
159.02861	63.6
187.02353	5.1
219.04994	100.0
271.94186	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	253.2159
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03939	0.9
54.84451	0.7
55.01865	1.5
55.05505	24.4
56.93575	0.7
56.96585	0.7
57.03413	2.8
57.07067	8.2
59.04989	1.0
65.03919	1.0
67.05494	25.6
69.03403	1.2
69.07056	32.3
70.06570	0.8
71.04976	3.6
71.08600	1.7
74.89668	0.7
78.26165	0.7
79.05480	11.3
81.03382	1.0
81.07042	38.1
83.04953	2.6
83.08608	20.5
85.06524	4.4
85.10206	1.2
91.05462	12.5
93.07035	13.8
95.04929	2.9
95.08590	30.3
97.02891	1.3
97.06519	5.6
97.10152	15.5
98.98451	100.0
99.08050	2.4
100.98863	1.6
102.40179	0.8
105.07018	9.5
107.08578	10.5
109.06475	2.8
109.10135	16.6
111.08054	4.2
111.11691	5.6
112.97417	0.8
113.06044	0.8
113.09585	1.3
116.99474	3.6
119.08558	8.8
121.10133	12.8
121.71910	0.7
123.04365	0.8
123.08026	2.7
123.11697	7.1
125.09591	3.0
125.13239	1.8
127.07509	1.2
133.10115	14.2
135.11665	13.7
137.09595	2.9
137.13211	3.2
139.11169	3.4
140.01079	1.6
141.05408	1.3
147.11649	6.9
149.13216	2.6
151.11179	5.0
151.14775	2.4
153.12674	2.6
153.17172	0.8
161.13211	6.0
165.12686	2.8
174.99226	1.5
175.14772	2.4
176.98843	1.8
179.14316	1.5
191.17812	1.2
193.15771	1.1
193.19485	2.6
197.11729	2.2
202.51088	0.8
217.19505	11.5
233.88428	0.8
235.20546	7.8
253.08682	1.0
253.14380	4.9
253.21609	7.8
254.15642	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	253.143
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
50.40876	0.8
53.03924	3.1
54.23270	0.8
55.01865	11.6
55.05504	9.3
57.03413	3.7
57.07053	3.1
59.04993	0.9
65.03923	1.9
67.05145	1.8
67.05496	37.0
69.03419	3.9
69.07061	9.9
69.89111	5.0
71.04964	4.3
79.05478	17.0
81.03416	5.8
81.07046	41.7
81.64093	0.9
83.04963	6.1
83.08595	3.1
85.06551	4.6
85.06969	0.8
85.78986	1.2
91.05466	31.3
91.06039	1.6
93.06506	1.2
93.07037	14.1
95.04958	6.2
95.08607	7.0
97.02863	0.9
97.06499	3.3
97.10145	0.9
98.98452	79.6
99.04428	2.1
100.98876	1.0
105.07012	28.3
107.04964	2.0
107.08571	21.8
107.09674	0.9
109.02885	1.0
109.06486	4.2
109.10139	42.1
113.05962	2.2
116.99458	3.3
117.06985	1.3
119.08557	2.7
121.10131	1.0
123.04371	1.1
123.08078	1.4
123.11672	7.5
127.07517	2.9
131.08556	1.9
133.10109	50.3
134.10474	0.9
141.05455	1.0
143.08493	0.8
151.11162	28.7
161.09547	1.7
169.12227	4.6
174.99188	1.4
176.98863	1.6
179.10680	1.2
195.10030	0.7
197.11731	1.2
197.36156	0.9
198.00041	0.8
212.10420	0.7
215.12749	1.0
253.14301	100.0
254.14680	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	253.1429
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
50.97580	0.8
53.03918	3.6
55.01633	1.0
55.01865	12.6
55.05273	0.9
55.05502	9.7
57.03416	3.7
57.07045	2.7
59.04967	0.8
65.03952	0.9
67.05492	43.5
69.03401	3.9
69.07052	10.5
71.04963	3.4
79.05479	17.5
81.03398	7.1
81.07040	43.9
83.04965	8.7
83.08589	3.1
85.06533	6.4
91.05464	35.4
93.07032	14.5
95.04935	5.7
95.08571	6.6
97.02827	1.5
97.06458	3.1
97.10136	1.2
98.21561	1.3
98.98449	91.9
99.04401	1.9
100.98841	1.1
105.07009	30.7
107.04910	1.0
107.08570	21.7
109.02883	1.8
109.06488	4.9
109.10135	43.8
113.05957	1.6
116.99457	3.2
117.06998	1.3
119.08540	3.6
123.04350	0.8
123.08041	1.6
123.11675	9.3
127.07513	2.6
131.08556	2.2
133.10104	53.1
140.01054	1.9
141.05423	1.0
143.08524	1.7
151.11154	29.9
157.10086	1.0
161.09567	2.5
169.12224	4.7
176.98863	1.8
179.10684	1.1
197.11636	2.3
215.12572	1.1
229.29597	1.0
253.14287	100.0
254.14606	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	1.7
68.50681	1.0
70.83360	2.7
73.29314	1.0
79.05476	12.5
84.08104	1.0
85.59364	1.0
86.02400	1.0
86.09679	1.2
87.00813	3.4
87.75356	0.9
91.05458	1.7
93.07034	2.1
98.97527	1.9
98.98449	23.8
103.05457	11.4
104.03444	21.1
105.06996	1.2
106.06538	14.0
107.04936	40.2
110.37570	0.9
116.98660	1.9
118.06512	8.8
120.08083	100.0
121.02813	2.5
121.08385	1.4
128.04968	1.7
131.04913	9.5
134.99590	0.9
137.70276	1.1
146.05986	18.1
149.05931	3.0
161.05893	1.4
166.08572	2.2
183.01172	1.9
184.38423	0.9
188.07019	16.7
192.06528	11.3
193.08365	1.5
204.01759	1.8
206.08093	56.4
222.01486	1.0
234.07700	1.7
249.03247	1.0
252.12234	2.0
257.04630	1.0
266.15826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38226	0.5
61.03790	0.5
68.99777	0.6
70.02930	0.7
70.56321	1.7
79.05490	0.6
80.49709	0.5
81.94743	0.6
87.00813	2.9
91.05466	1.5
93.07018	1.3
95.04946	0.7
98.98454	9.7
103.05444	7.8
107.04958	0.9
118.05750	0.9
118.06519	8.7
120.08082	100.0
121.08473	0.6
128.04944	1.3
129.10191	0.9
146.05974	16.6
148.07506	0.5
165.33449	0.5
166.08580	1.5
188.07045	15.5
192.06496	0.8
206.08087	52.1
207.08487	0.8
208.01572	0.5
234.07526	1.0
269.89789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.54005	0.7
53.03929	1.6
55.01859	3.1
55.05506	11.2
56.96559	1.3
57.03439	1.0
57.07058	2.4
59.04984	1.9
60.51577	0.8
62.29733	0.8
65.03941	1.1
67.05499	42.6
67.94875	0.9
69.03422	0.9
69.07059	9.7
70.76093	2.6
71.04981	4.2
71.50932	0.8
79.05029	0.9
79.05487	28.1
81.07047	53.0
83.04965	2.3
83.08614	4.2
84.08129	0.9
85.06530	3.3
88.51814	1.0
91.05466	16.9
91.88707	0.8
93.06429	1.3
93.07034	45.3
95.04951	2.7
95.08597	52.6
97.06520	10.1
97.10153	3.3
97.86510	0.8
98.98457	100.0
99.04446	1.2
99.08080	0.8
100.07567	0.7
103.05430	1.5
105.07022	22.5
107.04936	1.2
107.08580	27.1
109.06514	2.9
109.10152	23.4
111.08096	2.5
111.11713	1.1
112.07557	0.8
115.05453	2.6
116.99512	2.7
117.07023	5.9
119.08555	7.8
121.06492	9.2
121.10138	17.1
123.08049	3.1
123.11695	9.4
129.10205	0.8
131.04930	0.8
131.08546	9.4
133.06480	10.6
133.10118	10.9
135.08055	11.4
135.11685	12.6
137.05952	1.2
137.09627	4.3
137.13232	3.9
138.06308	1.7
139.07556	1.3
141.09108	0.9
143.04974	0.8
145.06474	1.8
145.10112	7.4
147.11705	4.1
149.09598	7.6
149.13234	5.1
151.11182	2.8
153.09100	6.1
159.11678	5.5
160.07544	8.0
161.05977	15.8
161.13190	1.8
163.11223	3.6
167.07072	1.6
167.10695	2.6
173.06010	1.1
173.13286	3.5
174.99248	2.3
177.12715	2.3
178.06172	0.8
181.12273	3.0
187.14856	2.1
188.07111	0.9
189.16376	1.8
191.09424	7.5
191.17902	9.7
193.08598	15.4
195.13843	3.2
197.05443	0.9
205.08545	1.3
205.19397	1.4
206.08067	4.0
208.09761	1.5
210.11276	2.6
215.17937	13.5
219.08867	2.3
233.07994	1.1
233.18970	15.6
234.12070	1.2
237.09982	4.8
249.03450	1.2
251.10675	1.5
251.16423	1.9
251.20073	30.4
252.12291	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	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.79636	0.9
52.97995	0.9
53.03930	2.2
55.01847	3.3
55.05500	18.8
57.03412	2.6
57.07052	3.4
65.03918	2.9
67.05494	79.5
67.71490	0.9
69.03396	1.4
69.07053	17.6
70.16057	2.7
70.16454	1.7
71.04977	9.8
71.08608	1.7
73.06523	0.9
77.01553	1.0
79.05476	40.9
81.07040	90.6
83.04953	3.4
83.08611	11.0
85.06528	7.7
91.04923	1.5
91.05465	22.9
93.07027	53.8
95.04937	6.1
95.08588	80.7
97.06522	12.4
97.10155	6.3
98.98448	100.0
99.04468	1.3
99.08067	1.6
104.50874	1.0
105.07017	16.5
107.04971	1.0
107.08573	39.7
109.06476	4.4
109.10133	36.7
111.08066	6.5
111.11748	1.3
115.05442	1.1
116.99513	2.2
117.06985	6.0
119.08553	13.4
121.06490	7.9
121.10119	32.9
123.08029	4.9
123.11691	15.5
125.05936	1.1
125.09595	1.6
125.83036	0.9
131.08554	15.5
133.06403	2.3
133.10089	17.6
135.08031	9.8
135.11665	24.1
137.09583	6.6
137.13219	5.8
139.07552	2.1
145.10095	11.0
147.11639	6.9
149.09621	11.1
149.13243	12.1
151.11156	4.5
151.14722	1.5
153.09071	4.0
159.11684	9.2
160.07607	1.2
161.05994	2.9
161.13208	2.9
163.11232	5.4
163.14838	1.3
167.10663	3.4
170.11203	1.1
173.13249	4.7
174.99205	3.2
175.14757	1.7
177.05325	1.0
177.12680	3.7
181.12209	3.2
187.14812	3.2
189.16333	3.1
191.09363	1.5
191.17908	17.7
193.08557	3.0
195.13820	3.6
204.61871	1.0
205.19495	2.7
209.15376	1.4
215.16010	1.5
215.17931	20.2
233.18948	24.0
237.09789	1.3
251.16367	2.2
251.20023	42.2
252.12265	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	251.1637
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03935	0.7
55.01853	0.4
55.05505	1.2
57.03420	0.7
57.07062	1.6
58.63191	0.3
59.04999	1.0
67.05493	4.4
69.03419	1.1
69.07053	1.6
71.04979	15.1
71.70033	0.4
71.70446	0.5
74.13286	0.3
77.01591	0.4
79.05479	3.4
81.03416	0.9
81.07045	4.7
83.04969	3.7
83.08604	0.7
84.08156	0.6
85.06547	0.7
91.05453	2.5
93.07022	4.8
95.04952	3.6
95.08598	3.7
97.06516	2.7
98.98448	100.0
99.04414	0.6
100.07574	0.5
103.05479	0.4
105.07020	3.6
107.04987	0.6
107.08578	3.2
109.06489	1.2
109.10157	2.5
111.08038	0.6
113.05988	0.6
116.99464	3.8
117.07009	1.5
119.08558	1.7
121.06482	1.0
121.10133	3.5
123.08041	1.6
123.11681	0.7
125.05971	9.5
125.09576	0.4
130.07791	0.4
131.04980	0.5
131.08514	2.5
133.06471	1.0
133.10085	1.6
135.08000	0.6
135.11658	2.2
137.05966	0.4
137.09616	1.1
140.01033	1.6
143.08510	0.3
145.06483	0.4
145.10098	3.5
147.07971	0.8
147.11649	0.8
149.05922	0.5
149.09589	2.4
149.13222	1.0
151.07513	3.2
157.10054	0.5
159.11647	1.5
161.05917	0.6
163.11160	11.7
165.09079	0.4
167.10686	0.6
173.13243	0.8
174.99179	3.0
177.05475	0.6
177.09053	1.4
177.12659	0.7
181.12164	4.8
183.01396	0.4
187.14745	0.7
187.47296	0.3
189.12668	0.8
191.14293	0.6
193.08565	0.8
195.10167	1.0
195.11766	0.4
205.12209	0.3
207.13820	0.7
209.08006	0.6
209.13243	0.6
215.14275	0.6
227.41270	0.4
233.11609	0.5
233.15303	3.1
233.18872	0.5
251.16322	18.1
251.20204	0.7
252.12242	1.3
252.16518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
55.01843	0.8
55.05498	3.0
56.76379	0.7
57.07072	4.0
58.07767	0.7
59.04991	3.6
66.76704	0.8
67.05491	8.0
68.97524	0.7
69.03419	3.5
69.07061	3.4
69.93440	5.0
71.01327	1.2
71.04978	27.0
79.05470	5.2
81.03431	1.0
81.07031	8.2
83.04961	4.5
83.08608	1.5
85.02891	1.4
85.06536	3.4
90.17294	0.8
91.05463	6.0
93.07031	7.4
95.04955	7.4
95.08591	9.6
97.06520	7.4
98.21357	0.9
98.98450	100.0
103.05454	1.1
105.06998	6.8
107.04936	2.0
107.08572	8.1
109.06496	3.8
109.10121	6.0
111.08060	2.8
113.05996	4.3
115.05493	1.1
116.99449	3.9
117.06998	1.5
117.27219	0.8
119.08556	10.7
121.06481	2.3
121.10127	12.9
123.08060	5.4
123.11673	2.6
125.05977	12.5
131.08536	4.6
133.06458	2.8
133.10117	4.1
135.08034	2.1
135.11650	3.7
137.09602	15.7
137.13237	0.9
139.03790	1.0
145.10078	7.7
147.08031	20.7
147.11661	5.0
149.09607	4.3
149.13235	0.9
151.07526	5.2
151.11124	0.9
151.14859	1.7
155.10674	1.2
157.10071	1.5
159.08041	0.8
159.11655	2.3
161.05940	0.9
161.09601	1.2
161.13159	1.5
163.11153	24.4
163.14780	1.8
164.06834	0.9
165.09114	1.2
173.09653	0.9
173.13242	2.6
174.99200	2.8
175.11151	4.3
177.09033	1.6
179.14268	9.4
181.12190	6.5
187.14801	3.0
189.12633	1.7
191.14229	2.6
193.08594	2.4
193.12190	1.7
195.10133	2.2
197.13237	1.7
205.15822	2.2
207.13708	2.3
215.14340	4.7
233.15326	15.2
251.16367	32.7
251.20129	1.5
252.12280	5.2
252.16708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03935	0.8
55.01862	1.4
55.05500	6.3
57.03408	0.6
57.07069	1.5
59.04980	1.4
65.03935	0.7
67.05494	16.7
69.03429	1.3
69.07054	10.3
69.96066	3.1
71.04986	1.9
72.08162	0.6
74.09730	0.5
79.05482	10.7
81.07042	21.3
83.04966	9.7
83.08600	1.6
85.06528	1.1
86.09084	0.5
90.43909	0.4
91.05461	5.5
93.07030	24.2
95.04946	2.0
95.08591	24.6
97.02859	0.5
97.06515	3.0
97.10178	0.9
98.20757	0.7
98.98450	100.0
103.05474	0.6
105.07007	7.2
107.04939	1.1
107.08578	8.2
109.06503	3.9
109.10144	10.1
111.04417	10.1
111.08051	0.8
111.11693	2.4
115.05415	0.4
116.98758	0.6
116.99492	3.7
117.07010	1.4
118.03512	0.5
119.08561	3.8
121.06479	1.6
121.10129	38.9
123.08053	2.5
123.11684	3.5
125.05963	1.4
125.09624	1.8
131.04897	0.7
131.08549	2.4
133.06468	1.8
133.07498	0.5
133.10136	2.8
135.08055	1.3
135.11665	3.1
137.05934	1.0
137.09595	1.3
139.11156	2.3
140.01051	1.3
145.06430	1.4
145.10100	2.5
147.07982	0.7
147.11684	0.9
149.09604	14.3
149.13275	1.2
159.08089	0.5
159.11678	2.4
161.05977	1.7
163.03809	0.5
163.11208	1.1
167.10651	93.4
168.10988	1.8
173.05988	0.6
173.09622	1.0
173.13266	1.1
174.99194	3.8
175.11137	1.4
177.12784	0.6
181.12268	0.6
187.11093	1.4
187.14780	1.2
189.05469	0.9
191.07028	0.5
191.09213	0.7
193.08569	2.4
206.08037	0.6
209.15424	0.7
215.10672	0.6
215.14285	0.6
215.17921	1.8
233.08040	0.7
233.11729	0.9
233.15175	2.2
233.18942	2.2
251.10744	0.9
251.16396	10.8
251.19983	6.2
252.12241	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	251.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99526	1.6
55.01861	2.2
56.96555	12.1
57.03436	8.3
58.99852	5.7
61.02654	1.9
61.02915	22.5
62.03242	1.8
70.06582	10.0
70.91856	2.3
70.98103	2.6
70.99831	3.4
71.04970	2.2
72.39883	1.4
73.02905	4.3
77.00881	5.8
82.01430	14.7
84.04472	3.3
84.08132	4.2
85.02891	5.6
88.99146	1.8
89.00751	1.9
91.02454	3.5
95.01908	2.0
97.02858	3.7
98.97567	4.9
98.98447	47.0
100.02470	61.9
101.00867	2.6
103.00610	1.6
105.00373	1.6
110.07189	2.4
110.97546	2.0
111.00240	2.3
116.98602	3.8
116.99432	1.4
117.01969	1.4
117.03926	2.1
118.01026	1.9
118.03504	28.2
119.01910	7.7
119.78202	1.6
121.01598	1.9
124.95504	2.1
126.98753	6.8
127.03902	2.1
128.60851	1.7
128.98593	1.6
131.01862	3.5
132.00713	1.6
133.03430	5.1
141.01215	4.3
142.96548	1.9
143.01866	1.8
144.99802	40.4
145.03410	3.1
145.99896	1.6
146.99596	4.2
147.01314	2.3
148.02017	3.1
149.00227	1.9
149.02905	2.9
150.00330	3.2
150.01784	3.4
154.98277	4.4
157.02563	3.1
159.05013	1.6
161.01048	2.8
161.02951	3.1
161.05495	3.8
163.00867	5.4
163.04526	2.4
165.00710	2.0
168.01402	21.3
170.05948	2.0
172.99301	51.1
174.99130	4.4
177.02383	8.6
177.99887	5.1
186.02509	2.6
187.00827	6.8
189.00687	2.0
189.02400	2.0
190.98650	1.8
191.00345	31.4
191.01982	3.2
193.00148	2.7
195.03539	2.8
196.00894	100.0
197.01128	1.5
200.04028	2.7
201.02428	3.0
205.01990	9.6
205.03708	2.7
210.02466	2.5
214.01944	45.0
219.02402	4.5
228.03491	43.1
236.17342	1.6
246.04483	7.9
251.02422	2.4
251.04886	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	249.1845
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02376	0.7
53.03939	6.7
55.01854	0.6
55.05496	5.1
57.07071	0.7
59.04974	1.2
65.03925	1.7
67.05495	28.7
69.07056	5.7
70.07150	1.1
70.07574	2.9
77.03899	1.3
79.05480	55.8
80.05836	0.9
81.03402	2.1
81.07045	14.9
83.04957	0.9
83.08604	1.8
85.06535	3.9
85.06960	0.7
91.05465	43.8
93.07029	100.0
95.04395	1.1
95.04953	13.0
95.08583	10.9
97.06487	1.1
97.10129	0.8
99.08056	1.5
105.04491	2.3
105.07006	8.6
107.08574	26.4
109.06493	1.5
109.10156	2.9
115.07567	0.8
117.06970	4.2
119.08564	13.8
121.06496	0.9
121.10126	42.0
123.08084	1.3
126.27575	0.7
129.07050	1.7
131.08553	6.0
133.10109	15.2
135.08017	3.4
135.11684	7.9
137.09612	1.9
143.08539	1.9
145.10103	2.4
147.11697	2.4
149.09605	1.7
151.11166	2.6
153.09079	0.7
157.10091	3.8
161.09586	1.1
161.46059	0.7
171.11635	3.0
173.13254	2.6
175.11220	1.1
175.14792	6.3
189.12738	1.5
189.16286	5.2
199.14781	12.0
217.15877	8.4
238.70403	0.7
249.18477	18.4
249.22203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03931	4.6
55.01863	2.7
55.05508	13.6
57.07050	1.7
59.04991	3.1
65.03922	2.5
67.05500	33.0
69.07063	14.6
71.69875	1.4
71.70269	1.4
73.06533	4.1
79.05487	96.4
80.05820	1.6
81.07050	36.0
83.04969	3.0
83.08602	4.9
85.06544	6.6
89.45905	1.4
91.05470	41.6
93.07039	100.0
94.07349	1.3
95.04965	9.1
95.08598	30.0
97.06519	3.8
97.10166	1.7
99.08076	4.1
101.06030	1.5
105.04526	1.7
105.06339	1.8
105.07025	29.1
107.08586	73.5
109.06498	4.8
109.10144	6.5
111.08072	1.6
115.07549	2.2
116.97540	1.3
117.07011	8.6
119.07736	2.6
119.08562	36.5
121.06478	2.1
121.10136	87.1
122.10466	2.4
123.08054	4.5
129.06990	3.9
131.08562	8.9
133.10118	47.4
135.08055	9.1
135.11687	21.4
137.09599	3.8
143.08537	7.1
145.10117	4.3
147.08049	1.4
147.11693	8.1
149.09599	3.1
151.11156	2.8
157.10115	10.1
161.09583	4.5
161.13243	2.5
167.10664	4.0
171.11664	5.0
173.13245	7.1
175.11188	4.0
175.14819	24.1
189.12749	4.0
189.16376	14.4
199.14810	27.0
205.09654	1.2
217.15866	26.3
222.37424	1.4
224.57617	1.3
249.12862	1.8
249.18484	59.3
250.18919	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	249.1844
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03939	4.6
55.01859	0.9
55.05502	8.1
59.04969	1.0
62.55540	0.9
62.71463	1.2
65.03924	1.5
67.05143	1.7
67.05495	30.1
69.03423	1.0
69.07052	5.8
73.06513	1.5
74.77647	1.0
75.23756	0.9
77.03882	1.2
79.05482	53.7
80.05806	0.9
81.07040	17.1
82.50107	0.9
83.04946	1.2
83.08576	1.8
83.21886	0.9
85.06530	3.4
91.05463	41.3
93.07029	100.0
94.79236	0.8
95.04962	10.9
95.08595	11.4
97.06526	1.6
98.20671	2.4
99.08063	1.7
100.64961	0.9
101.05998	1.0
105.04504	2.3
105.07013	11.1
107.04920	1.2
107.08573	26.3
109.06522	1.1
109.10132	2.7
117.06995	2.9
119.08557	13.9
121.06500	1.4
121.10125	45.7
123.11633	1.1
129.06966	2.4
131.08524	6.0
133.10103	20.9
135.08023	4.5
135.11670	9.3
137.09590	3.1
143.08482	1.7
145.10095	2.8
147.07979	1.7
147.11633	2.0
149.09558	1.7
151.11124	2.9
157.10083	3.2
159.11630	1.1
167.10683	1.2
171.11688	2.2
173.13245	3.7
175.11200	1.6
175.14793	8.3
189.12685	2.2
189.16339	5.6
199.14790	11.6
210.29967	0.8
217.15866	8.5
227.19861	0.9
233.15465	1.5
249.18468	26.3
249.21158	1.5
249.22217	1.1
267.98315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01847	1.5
63.27530	0.6
64.44884	0.5
67.05476	2.6
69.03423	1.0
69.07034	0.9
70.06570	0.8
70.63559	0.6
71.04980	0.9
71.16000	1.4
79.05457	2.7
81.03418	0.7
81.07040	1.1
84.08128	0.6
84.15045	0.6
85.02889	1.4
91.05469	10.7
93.07025	1.8
95.04942	1.5
95.08563	1.8
97.02879	1.5
97.06503	1.2
103.05436	1.9
105.03334	0.8
105.07003	5.2
107.04929	2.5
107.08566	1.9
109.10183	0.8
111.04360	0.7
115.05414	6.8
116.06230	4.3
117.06991	3.5
119.04933	0.8
119.08553	2.0
121.02849	8.6
121.10136	1.5
128.06215	10.0
129.06985	22.4
131.04872	2.0
131.08545	19.8
132.05687	1.8
133.06467	3.9
133.10161	3.2
137.05943	2.0
137.09541	0.8
139.05276	0.9
141.06955	10.7
142.07758	4.3
143.04852	1.3
143.08539	5.1
144.05679	11.4
145.06468	6.2
146.07234	4.3
147.04384	2.1
148.12007	0.8
152.06180	1.3
153.06953	2.3
155.06044	0.8
156.05666	2.3
157.06451	11.3
157.10175	0.7
158.07228	2.7
159.08025	29.2
159.09340	1.5
160.05199	1.3
160.08607	0.7
161.05927	4.4
161.09593	8.3
167.06966	0.9
169.06355	1.3
169.07585	2.7
170.07240	8.8
171.04379	1.5
171.08002	6.3
172.05165	2.8
173.05983	4.6
174.06680	2.0
175.07542	4.3
178.06252	1.3
184.05188	0.8
185.05927	0.9
187.07524	19.8
188.08168	1.4
189.05409	7.1
189.09067	8.9
191.07060	1.2
193.08572	1.5
198.06750	1.5
199.07501	2.8
201.05501	2.0
203.07007	6.4
204.07780	13.8
205.08490	2.5
206.09294	1.1
216.07806	3.6
217.08594	1.3
218.09358	1.4
219.10107	1.4
221.08060	1.2
221.11687	3.8
231.10143	6.7
233.11670	0.7
234.08916	1.3
249.07481	2.6
249.11174	100.0
249.18472	1.8
250.11555	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	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01854	0.7
57.03412	0.8
67.05494	1.0
69.03403	1.0
69.42017	1.7
69.42449	2.5
79.05472	1.6
81.07021	1.0
91.05465	8.7
93.07011	1.1
95.04911	1.0
95.08585	0.7
97.02846	0.7
97.06515	0.9
103.05453	1.4
105.07017	3.3
107.04932	2.1
107.08555	0.8
109.10095	0.6
114.27261	0.4
114.48889	0.4
115.05430	6.0
116.06203	3.7
117.07016	2.4
118.04089	0.8
119.04898	0.9
119.08551	0.9
121.02831	0.4
121.06439	0.5
121.10111	0.8
123.04377	0.5
123.08033	0.4
128.06197	8.4
129.06979	20.8
130.07776	0.9
131.04918	1.9
131.08545	17.2
132.05653	1.0
132.08855	0.5
133.06450	2.9
133.10114	1.6
137.05919	1.3
141.06961	8.6
142.07764	4.7
143.04860	1.0
143.08563	3.4
144.05669	9.0
145.06465	6.5
146.03581	0.6
146.07222	2.9
147.04367	0.8
147.08014	1.1
147.11691	0.4
152.06166	1.2
153.07005	2.3
155.04872	0.6
155.06033	1.0
156.05687	2.0
157.06473	10.2
158.07240	2.3
159.04390	0.9
159.08022	29.0
160.05168	1.8
160.08646	0.7
161.05952	4.8
161.09592	7.1
167.06978	1.6
169.06433	1.3
169.07672	2.4
170.07233	8.1
171.04369	1.6
171.08031	5.8
172.05142	2.7
173.05956	5.1
174.06760	2.1
175.07513	3.3
175.11087	0.4
177.05458	0.6
178.06203	0.6
185.05907	1.1
186.06783	0.9
187.07513	18.1
188.08186	0.9
189.05449	5.8
189.07071	0.5
189.07426	0.6
189.09088	8.6
190.06166	1.1
191.06984	1.0
192.07715	0.6
193.08461	0.8
198.06732	1.7
199.07486	3.1
201.05458	2.0
203.06972	5.8
203.10715	0.5
204.07790	12.9
205.08493	1.9
206.09352	1.2
216.07770	3.7
217.08595	1.1
218.09285	1.2
219.10118	2.3
221.08054	1.7
221.11690	2.7
231.10110	6.6
232.10379	0.5
234.08888	1.0
249.11180	100.0
250.11592	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	249.1119
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
55.01858	5.8
55.05493	8.8
56.96550	2.6
57.03429	2.8
57.07064	2.6
65.03922	3.4
65.47906	2.2
67.05486	27.6
69.03408	5.8
69.07041	5.5
70.06583	4.2
70.98297	5.9
72.08138	2.6
74.48154	2.3
79.05477	21.8
81.03404	10.2
81.07038	24.2
83.04965	4.5
83.08575	3.3
85.02897	7.6
85.06548	3.5
86.09701	4.1
91.05467	40.8
93.07029	27.8
95.04971	8.0
95.08588	20.0
97.02883	3.9
97.05863	2.4
97.06505	10.3
99.04413	3.6
103.05441	5.7
105.07002	21.7
107.04947	11.8
107.08564	17.2
109.06484	3.3
109.10140	14.2
111.04391	2.8
111.08050	2.5
115.05434	19.0
116.06220	10.1
117.07007	17.9
119.04925	5.2
119.08559	11.2
121.02850	7.0
121.06469	12.4
121.10135	15.3
123.04390	2.9
123.08054	4.0
123.11652	2.3
128.06178	21.0
129.06978	59.5
129.07848	4.6
131.04897	10.4
131.08536	52.4
133.06441	8.2
133.10098	17.9
135.08087	5.1
135.11659	10.4
136.07430	2.6
137.05956	6.1
137.70302	2.5
139.07487	2.9
141.06952	20.1
142.07753	5.0
143.08521	11.9
144.05673	38.5
145.06494	22.2
145.10107	9.2
146.07222	6.4
147.04381	8.3
147.08029	5.6
147.11658	6.9
149.09615	4.0
149.13258	2.6
153.07039	3.0
155.04869	2.7
155.06001	2.5
156.05647	3.0
157.06432	18.9
158.07323	6.7
159.08015	66.0
161.05960	14.0
161.09590	21.2
163.11101	3.6
165.09160	3.2
167.06995	4.1
169.07616	5.1
170.07312	4.6
171.04384	4.3
171.08072	7.3
171.11697	4.4
172.05179	7.1
173.05936	27.5
174.06685	5.0
175.07545	7.7
177.00610	3.1
178.06203	5.5
181.08601	23.9
185.06032	3.9
186.06664	2.8
187.07494	64.2
189.05469	10.2
189.09058	35.6
189.10635	3.1
189.16388	9.1
191.06973	4.8
193.08659	4.5
199.07515	3.8
203.07068	4.8
204.07826	13.7
205.08467	12.0
213.16322	5.4
216.07800	4.4
217.08588	24.0
219.10121	100.0
220.10493	3.9
221.11664	33.1
231.10083	14.2
231.13811	7.1
231.17432	4.9
233.11676	4.3
249.09006	8.1
249.11208	48.4
249.14691	12.7
249.18439	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.19013	0.2
55.01849	0.3
55.05498	0.2
67.05478	0.3
69.07051	0.2
69.95439	1.2
70.06583	0.2
77.20684	0.2
79.05465	0.3
81.07036	0.4
84.08066	0.3
91.05460	0.7
93.07046	0.2
97.02844	0.2
105.07005	0.4
106.06493	0.2
117.05741	0.4
118.06523	6.3
119.07333	0.2
119.08565	0.2
120.08081	0.4
120.08857	0.2
121.10101	0.2
129.06911	0.2
131.08522	0.3
132.08072	2.7
133.08850	0.6
134.09605	0.6
144.08049	0.9
145.08846	0.2
146.09627	2.4
147.10339	0.3
147.58574	0.2
160.11180	0.7
166.12213	0.5
172.11255	0.2
173.64940	0.2
174.12749	1.2
174.67271	0.2
176.04294	0.2
176.14319	14.4
190.08601	14.0
191.09319	0.3
202.08540	0.3
202.15860	2.7
203.16620	1.1
204.10159	6.6
205.10962	1.7
206.11671	0.3
218.11725	5.5
219.12396	0.4
230.12502	0.2
232.13284	0.6
235.15648	0.3
248.16418	100.0
249.11168	0.5
249.16743	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	249.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79945	0.6
55.01863	0.7
56.96558	2.5
58.99854	1.0
63.66258	0.5
69.03419	0.8
69.44827	2.9
69.45245	2.4
71.94299	0.5
74.06067	0.9
77.00890	1.0
82.99864	2.0
84.04481	0.8
84.97471	0.6
85.01366	0.7
86.99318	0.8
98.20705	0.9
98.21362	1.7
98.97581	0.9
101.00859	26.8
102.00993	1.0
103.02421	1.9
110.25451	0.6
113.00874	1.2
115.02380	1.5
116.98611	1.1
118.00323	0.7
119.01900	100.0
120.02006	2.5
121.03442	0.7
127.00918	0.6
127.02462	0.6
131.01897	7.8
133.03458	2.5
134.99779	1.0
137.02922	23.3
139.00856	0.7
140.00789	0.7
141.00661	0.6
142.03481	3.8
142.04398	0.5
143.00177	1.2
143.01874	22.3
144.01965	1.2
145.03429	6.8
147.01346	1.4
149.02905	1.7
151.04536	0.7
157.03387	3.7
159.01367	6.4
160.01451	1.0
161.02930	75.6
162.03123	1.9
163.04520	1.3
166.00125	0.7
166.01501	0.7
168.01114	0.7
171.01395	2.5
173.02924	4.5
175.04533	2.1
176.00923	1.2
177.00972	1.4
177.02419	20.5
179.03973	3.2
180.01097	0.6
180.51204	0.7
184.04549	4.0
185.02956	1.4
187.04414	0.8
189.00665	1.2
189.02411	23.0
189.50903	0.8
190.02531	1.0
191.03960	7.3
195.03569	0.8
196.00615	0.9
198.01143	0.9
200.04088	1.3
201.02505	3.4
201.04089	0.6
203.04005	2.4
207.03450	8.9
210.00388	0.8
210.02176	0.7
212.04060	1.4
214.00095	0.9
219.03545	3.4
221.01735	0.6
221.04984	0.8
223.01411	1.2
225.00227	1.3
225.50647	1.4
226.01100	0.7
231.03450	8.0
234.00542	1.7
234.50623	0.6
245.99693	0.8
249.04520	25.2
255.00485	0.7
267.02969	0.8
267.05551	2.7
267.25220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03931	3.4
55.01854	2.8
55.05504	13.9
56.24234	0.9
57.03435	3.9
57.07051	2.7
65.03931	2.0
67.05499	39.8
69.03416	1.3
69.07052	9.2
71.04976	3.5
75.59417	0.8
79.05483	38.4
81.03396	3.3
81.07045	100.0
82.07375	0.7
83.04964	3.0
83.08604	4.3
84.78499	0.8
85.06516	2.5
86.04391	0.7
91.05468	16.2
93.07032	27.1
95.04960	5.9
95.08595	20.7
97.06500	3.4
97.10133	1.6
98.20683	1.7
98.98463	2.3
99.08071	3.0
101.73298	0.9
104.10716	1.2
105.07007	11.8
107.04908	1.9
107.07833	0.8
107.08572	19.1
109.06503	34.7
109.10136	8.5
111.08077	1.5
117.07000	6.7
119.08569	12.7
121.06485	3.5
121.10124	17.7
123.08045	5.6
123.11681	10.3
125.09616	1.4
128.06206	1.0
129.06932	1.7
131.07616	1.2
131.08537	9.6
133.10107	8.2
135.08070	4.4
135.11659	8.9
137.09581	4.5
137.42427	0.8
139.11150	1.0
142.07805	0.8
143.08528	2.4
145.10112	9.3
147.08041	1.0
147.11681	7.8
149.09596	3.7
149.13231	7.8
151.11183	2.1
159.11620	6.6
161.13208	4.6
163.11172	3.2
163.14798	3.6
165.12762	2.3
173.13281	6.5
175.03836	3.6
175.14815	2.9
176.04424	1.0
177.12759	2.5
177.16379	1.0
179.14366	1.0
183.11620	0.9
187.11157	3.1
187.14755	3.8
189.09128	1.2
189.16306	1.5
191.14339	1.9
201.12669	1.6
201.16400	1.1
203.17928	1.1
205.19574	0.9
219.17380	0.9
219.20998	1.3
229.08432	1.5
229.12216	3.5
229.19447	10.6
247.05783	1.0
247.09676	2.6
247.13167	1.6
247.20549	50.2
248.20920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03944	2.6
54.68145	0.4
55.01866	1.9
55.05503	11.1
57.03428	4.0
57.07070	2.4
65.03936	1.9
67.05493	38.9
69.03413	1.3
69.07053	7.4
71.04985	2.6
71.61337	0.9
72.08111	0.5
75.77256	0.4
77.52232	0.5
79.05481	34.9
81.03403	2.6
81.07043	100.0
82.07361	0.7
83.04971	3.0
83.08605	3.6
85.06536	2.2
91.05465	12.0
93.07032	22.3
94.07368	0.5
95.04958	6.2
95.08591	18.6
97.06512	2.3
97.10177	0.9
99.08070	2.9
103.05477	0.6
105.07017	9.9
107.04958	2.1
107.08035	0.3
107.08577	15.7
109.06501	30.8
109.10147	8.2
111.08058	1.1
115.05458	0.5
117.06998	4.8
119.08562	9.4
121.06457	2.4
121.10132	15.9
123.08060	5.4
123.11686	8.1
125.09618	1.1
129.06981	0.9
131.08548	7.3
132.09361	0.5
133.10104	7.2
135.08052	4.1
135.11667	7.0
137.09579	4.5
137.10323	0.4
137.13217	1.2
139.11163	0.7
141.43092	0.5
143.08559	1.1
145.10103	7.5
147.07988	0.5
147.11656	5.7
149.09618	2.4
149.13229	7.6
150.10318	0.4
151.11176	1.7
152.92529	0.4
159.11656	6.3
161.13275	3.3
163.11151	2.2
163.14815	2.3
165.12801	1.5
173.09784	0.6
173.13222	5.2
175.03917	1.1
175.14833	1.8
177.12724	2.1
177.16318	0.7
179.14313	0.9
183.11598	0.7
187.11264	0.6
187.14798	2.6
189.09087	0.7
189.16412	1.4
191.14311	1.8
203.17915	1.0
205.15909	0.8
205.19557	0.9
219.17517	0.5
219.21017	0.8
229.12250	1.0
229.19458	9.9
247.09663	0.8
247.20547	41.7
247.24464	1.3
248.20839	0.7
268.38159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2052
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01854	2.2
55.05503	10.8
57.03432	3.4
57.07061	3.5
59.78011	0.5
65.03920	2.1
67.02313	0.5
67.05492	37.2
69.03412	1.5
69.07055	9.2
70.97610	0.5
71.04980	2.8
74.32072	0.5
79.05479	33.1
80.28250	0.6
81.03439	2.6
81.07040	100.0
82.34740	0.5
83.04961	3.4
83.08617	3.1
84.29260	0.5
85.06525	2.1
88.74246	0.6
91.05461	12.4
93.07027	23.7
95.04939	6.7
95.08587	20.3
97.06529	4.0
97.10144	1.5
99.08081	3.4
105.07008	12.2
107.04946	3.2
107.07464	0.7
107.08578	18.1
109.06499	33.0
109.10123	7.6
109.72639	0.5
111.08054	1.5
117.07000	4.3
119.08553	11.1
121.06483	2.5
121.10119	16.4
123.08060	4.8
123.11678	9.0
125.09635	1.0
128.06190	1.3
129.06999	1.2
130.07776	0.6
131.08549	9.8
133.10092	7.6
135.08029	5.0
135.11664	7.4
137.09579	5.0
137.13225	1.7
139.11166	0.7
143.08569	1.5
144.09340	0.6
145.10088	8.5
147.04340	0.7
147.11649	6.6
149.09593	2.6
149.13222	8.4
150.10249	0.7
151.11172	2.8
157.10132	0.5
159.08076	0.7
159.11650	6.9
161.13240	4.6
163.11150	2.7
163.14830	4.5
165.12738	2.0
173.09628	0.7
173.13239	6.2
175.03905	2.9
175.11211	0.8
175.14798	2.4
177.12692	2.5
179.14258	1.1
183.11667	1.3
187.11159	2.4
187.14771	3.4
189.09074	1.5
189.16278	1.6
191.03427	0.6
191.14249	1.1
201.12723	1.3
201.16402	0.9
203.17943	1.2
205.15880	1.0
205.19504	0.7
219.21118	1.1
229.08519	1.5
229.12155	2.9
229.15929	0.9
229.19481	10.6
247.09608	1.7
247.13365	1.4
247.16701	2.4
247.20531	49.8
248.20866	1.4
258.95441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2051
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03925	4.9
55.01862	3.1
55.05504	13.5
57.03410	3.5
57.07050	4.5
59.44482	1.2
64.96686	1.2
65.03901	2.3
66.16616	1.2
67.05493	41.7
69.03403	2.3
69.07067	13.3
71.04971	3.3
71.71170	1.8
71.71574	1.3
79.05482	40.0
81.03394	4.2
81.07044	100.0
83.04951	3.8
83.08606	6.5
85.06536	2.2
87.04440	1.9
91.05465	20.0
93.07030	30.4
95.04160	0.9
95.04354	1.2
95.04948	10.5
95.08591	22.0
97.06500	1.9
97.10141	2.0
99.08082	2.8
105.07011	20.7
107.04906	3.8
107.08578	24.5
109.06503	31.4
109.10136	10.4
111.08096	1.5
116.06168	1.4
117.06999	8.9
119.04970	1.5
119.08559	14.1
121.06483	7.4
121.10112	18.3
123.08028	6.2
123.11668	8.6
125.09557	1.3
128.06186	3.8
129.06963	2.6
130.07687	1.9
131.08554	16.7
133.06458	1.7
133.10089	9.9
135.08057	6.1
135.11662	10.5
137.09587	6.4
142.07744	1.6
143.08548	8.1
145.06360	1.6
145.10106	12.4
147.07986	1.3
147.11664	7.2
149.09549	5.1
149.13229	7.9
151.11133	3.0
155.08551	1.2
157.10120	2.9
159.08022	3.7
159.11650	9.9
161.09505	1.7
161.13237	5.6
163.11119	3.4
163.14803	3.2
165.12738	3.4
168.09346	2.0
169.10139	1.7
171.11609	3.5
173.06046	1.6
173.09465	1.2
173.13228	6.7
175.03883	10.9
175.14772	3.0
177.12753	3.1
179.14278	1.8
183.11670	4.6
185.13152	1.0
187.07491	2.0
187.11159	9.1
187.14777	4.3
189.09065	5.3
189.12776	1.6
191.14342	2.3
201.12715	8.4
201.16373	1.4
211.11136	2.0
211.14752	1.3
216.50914	1.2
219.21049	1.5
229.08525	3.8
229.12218	12.6
229.15814	4.8
229.19489	10.3
247.09700	5.3
247.13261	6.9
247.16980	6.3
247.20537	58.3
247.24344	6.5
248.13208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03930	8.0
55.01863	14.2
55.05501	9.0
56.96556	36.1
57.03426	20.0
57.07061	7.6
57.79136	2.1
59.04976	3.5
60.00974	2.6
61.02906	3.3
63.49823	2.3
65.03933	2.6
67.05491	15.6
69.03419	30.2
69.07059	9.2
69.64481	19.5
70.03741	3.1
71.04985	4.8
71.95254	4.1
73.02903	25.6
79.05484	18.9
80.04994	2.5
81.03395	20.5
81.07040	26.5
83.04970	8.2
83.08627	3.2
84.96018	6.2
85.02894	44.6
85.06519	9.3
86.06113	2.1
86.61984	2.2
87.00832	4.5
87.04459	2.7
90.93297	2.3
91.05466	33.1
93.07033	22.9
95.04963	22.0
95.08588	21.5
97.02877	17.0
97.06443	2.5
98.06020	4.4
98.21422	5.2
98.97568	35.5
99.04443	6.6
103.05445	4.7
104.06219	9.3
105.07021	44.7
107.04905	6.4
107.08577	29.4
108.04467	12.8
109.02863	18.5
109.06490	16.2
109.10136	10.0
110.01289	3.1
110.97557	5.5
115.03912	9.3
115.05458	7.1
116.06204	2.6
116.98602	26.3
117.07019	17.0
119.01786	9.3
119.04964	4.4
119.08577	29.2
121.06486	10.4
121.10133	25.3
121.52692	6.2
123.08016	3.8
123.11755	3.2
123.95447	2.4
124.05225	4.1
126.05507	9.3
127.03901	7.9
128.02316	2.8
128.06210	9.4
128.98604	8.9
129.06990	11.2
130.07773	10.3
131.00174	4.4
131.04919	8.7
131.08563	29.4
132.05701	5.5
133.06461	9.9
133.10104	24.3
134.99666	15.3
135.04474	2.1
135.08026	15.6
135.11656	4.5
137.05963	7.7
137.09592	5.5
138.04364	3.7
140.02258	4.7
141.06955	5.3
142.07780	4.2
142.53195	4.6
143.00179	4.6
143.08574	18.0
144.05650	3.9
144.09308	4.9
145.05092	2.7
145.06464	7.6
145.10097	45.5
146.99612	7.9
147.08022	17.9
147.11673	13.7
149.05942	3.1
149.09605	17.5
150.04343	3.0
150.06740	27.3
154.04645	3.1
154.07759	2.7
155.08510	3.7
156.04320	6.1
156.09283	3.6
157.10104	11.3
158.99657	5.7
159.08025	18.2
159.11681	33.9
161.01224	7.2
161.06006	3.8
161.09634	9.9
161.13185	5.1
162.01736	14.7
162.04359	4.4
163.05188	3.9
163.11156	8.9
164.08307	3.5
165.09125	13.3
168.09326	4.6
169.10078	9.7
170.10855	2.7
171.08037	5.5
171.11696	10.4
173.09599	22.7
173.13231	11.7
174.04379	4.3
175.03883	15.2
177.00690	7.8
177.09116	2.9
180.53880	2.9
181.10104	5.4
183.04921	10.2
183.11720	8.0
185.13272	8.4
187.07469	4.4
187.11186	21.6
187.14767	5.9
188.01439	4.3
189.09073	8.6
191.10664	11.7
192.05392	30.5
192.55565	4.0
196.12439	5.9
198.02008	3.9
199.11203	9.6
201.00679	5.1
201.05968	22.5
201.09103	2.9
201.12729	11.1
201.16368	10.8
201.56215	5.8
203.14236	5.2
203.56190	6.9
205.01694	5.4
206.02452	13.5
208.05902	2.6
211.11378	3.0
211.14755	12.1
212.56836	4.1
213.04245	3.0
213.05844	15.4
213.56052	3.6
214.13518	9.6
214.53461	22.2
215.03694	5.0
217.08533	2.9
219.01704	6.2
219.08073	3.0
221.04839	3.0
223.02840	12.5
223.54054	2.9
224.03528	100.0
225.03966	11.5
226.04747	10.2
229.08517	4.9
229.12218	17.4
229.15829	33.6
235.05443	32.0
235.55664	13.0
239.05899	46.6
240.06201	7.7
242.04626	38.3
243.04839	6.3
246.56160	4.6
247.05286	4.8
247.09648	16.7
247.13289	8.4
247.16913	67.5
247.20685	5.4
257.06921	30.2
262.07501	3.2
263.05945	7.0
264.06113	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	247.1325
Annotation	Xanthatin
Peak:m/z	Relative Intensity
50.20613	0.7
53.03913	0.9
55.05499	2.0
65.03913	1.7
67.05482	2.3
69.03397	3.9
69.07034	1.2
69.76261	5.2
76.06583	0.8
79.05467	3.2
81.03404	1.0
81.07025	3.0
83.04992	3.8
91.05457	5.7
93.07011	3.5
95.04921	1.4
95.08555	1.4
97.02871	1.7
103.05502	0.8
105.07008	7.0
107.04930	0.8
107.08568	4.4
109.02850	2.9
109.06484	3.0
109.10080	1.1
111.04413	1.0
115.05417	3.1
116.06192	1.5
117.06994	4.2
119.08573	4.2
121.02856	1.8
121.06497	3.9
121.10110	1.9
125.05980	1.0
128.06175	4.4
129.06958	6.3
130.07793	0.8
131.04915	0.8
131.08537	11.2
131.28017	0.8
133.06429	1.2
133.10091	3.2
135.08035	6.4
137.05902	1.3
137.09595	1.1
141.06969	2.3
142.07727	1.3
143.08531	9.0
144.05685	1.1
144.09280	2.9
145.06450	5.5
145.10092	4.5
147.08025	2.6
149.09567	5.1
150.10406	1.0
153.06935	0.9
155.08533	4.1
156.09227	0.8
157.06438	1.0
157.10107	2.1
158.07220	1.1
158.10876	2.4
159.08025	7.8
159.11655	4.3
160.08835	1.0
161.05960	1.0
161.09593	3.1
163.07483	3.5
168.09276	2.5
169.06451	2.7
169.10088	1.4
170.10825	1.3
171.08012	6.2
172.08853	3.7
173.05905	1.2
173.09584	7.0
173.13231	8.3
175.03893	2.4
182.07225	1.1
183.11668	3.8
185.09506	1.5
186.10385	5.1
187.07541	8.0
187.11148	24.5
189.09068	15.9
191.07016	9.0
193.10210	0.9
196.08806	3.6
199.07495	1.4
201.09055	1.9
201.12704	16.8
205.12219	1.9
211.11159	4.1
214.09863	2.0
216.11328	1.6
219.13809	2.3
229.08640	0.9
229.12186	17.1
247.13257	100.0
248.13548	2.0
257.07449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1074
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
55.05500	1.6
65.94775	0.9
67.05490	4.9
69.03402	1.6
69.07042	1.6
70.06583	1.0
71.27592	2.2
72.08134	1.6
74.87201	0.9
79.05479	1.9
81.03397	1.0
81.07043	4.1
86.09697	1.6
88.03986	1.9
91.05460	5.2
93.07018	3.2
95.04962	1.1
95.08580	1.0
98.21485	0.9
103.25134	1.0
105.07013	4.1
107.08583	3.2
109.06536	1.4
109.10135	2.7
115.05435	3.9
117.05775	2.1
117.07002	3.2
117.55457	0.9
118.06532	20.8
118.07349	0.8
119.08567	3.1
121.02856	2.9
121.06493	2.3
122.48803	0.9
128.06218	3.3
129.06956	3.5
129.99529	1.5
130.05023	1.6
130.06500	39.4
131.08525	7.5
132.08070	34.6
132.09065	1.7
133.10097	2.1
135.08044	1.4
135.11639	1.1
141.06984	2.2
142.06525	8.3
142.07539	1.7
143.07388	2.3
143.08556	6.6
144.04489	1.2
144.05681	1.4
144.08052	9.9
145.06439	2.4
145.10114	5.7
146.05978	53.3
147.04382	2.3
147.08055	1.6
152.09885	1.1
153.07040	1.4
155.08574	2.4
156.08044	1.3
156.36473	1.0
157.10124	2.1
158.08376	1.8
159.08061	4.5
159.09149	100.0
159.11607	2.8
160.07555	7.1
161.05914	1.2
168.09320	2.2
169.07610	4.2
170.05988	20.7
171.08052	2.3
173.05948	1.6
173.09621	3.5
173.13203	2.3
174.09186	1.3
175.03885	8.8
177.09044	1.0
183.09175	2.6
183.11667	3.3
184.07559	3.4
187.07249	2.1
187.08794	8.2
187.11119	7.8
188.07036	80.8
189.09041	4.9
201.10197	51.3
201.12718	7.3
205.09709	13.0
211.08716	1.1
211.11124	2.0
217.08649	1.2
219.10283	1.0
219.13733	1.1
229.09660	4.1
229.12231	11.1
247.05995	1.2
247.09698	3.2
247.10918	1.9
247.13144	8.0
247.16931	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	247.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05499	0.3
64.32950	0.3
65.03927	2.3
67.01852	2.3
68.99777	1.8
69.03421	1.7
70.87982	0.8
72.08146	0.8
80.50124	0.2
81.03400	0.5
81.07045	0.6
83.01332	0.6
84.04494	0.4
84.08141	0.3
85.02878	0.3
86.09702	0.5
91.05461	0.8
93.07024	0.6
95.06094	0.4
97.02875	1.0
105.07016	1.0
109.06543	0.2
111.04440	2.4
116.90446	0.2
117.06971	0.7
119.08549	0.5
120.08107	0.6
121.02851	55.1
121.03864	1.7
122.03188	0.7
128.06201	0.5
129.06956	0.4
131.08542	1.3
134.78473	0.2
143.08548	1.4
145.06413	0.4
145.10123	0.6
153.01807	100.0
154.02179	1.2
155.08569	0.5
157.10152	0.4
159.08035	0.7
159.11684	0.4
168.09364	0.3
171.02849	1.6
171.08035	0.3
173.05995	0.5
173.13295	0.3
175.03874	2.0
183.11688	1.0
187.11082	1.9
189.09071	1.0
201.12823	1.4
229.04913	0.4
229.08693	0.6
229.12169	2.2
247.05995	37.5
247.13214	1.1
248.06290	0.6
259.39926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.4
61.02925	2.0
62.31549	1.4
69.88673	9.8
70.44624	1.5
70.99834	1.4
72.08144	1.9
77.00906	1.4
93.74229	1.7
101.00850	15.8
105.06992	2.0
115.02403	4.4
119.01900	42.3
120.02066	3.0
121.01637	6.1
122.81998	1.5
130.61894	1.5
133.03458	7.9
137.02939	6.4
143.01881	1.6
144.99817	5.0
145.03435	2.5
161.02962	5.0
167.03195	2.2
168.99750	6.5
173.03036	1.7
187.00867	6.8
187.02644	4.7
196.99300	1.7
201.02391	5.2
201.12474	2.1
215.00307	16.5
224.04224	1.7
229.03217	33.8
247.04234	100.0
265.04068	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	247.0598
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
55.01855	0.4
55.05499	0.3
64.32950	0.3
65.03927	2.3
67.01852	2.3
68.99777	1.8
69.03421	1.7
70.87982	0.8
72.08146	0.8
80.50124	0.2
81.03400	0.5
81.07045	0.6
83.01332	0.6
84.04494	0.4
84.08141	0.3
85.02878	0.3
86.09702	0.5
91.05461	0.8
93.07024	0.6
95.06094	0.4
97.02875	1.0
105.07016	1.0
109.06543	0.2
111.04440	2.4
116.90446	0.2
117.06971	0.7
119.08549	0.5
120.08107	0.6
121.02851	55.1
121.03864	1.7
122.03188	0.7
128.06201	0.5
129.06956	0.4
131.08542	1.3
134.78473	0.2
143.08548	1.4
145.06413	0.4
145.10123	0.6
153.01807	100.0
154.02179	1.2
155.08569	0.5
157.10152	0.4
159.08035	0.7
159.11684	0.4
168.09364	0.3
171.02849	1.6
171.08035	0.3
173.05995	0.5
173.13295	0.3
175.03874	2.0
183.11688	1.0
187.11082	1.9
189.09071	1.0
201.12823	1.4
229.04913	0.4
229.08693	0.6
229.12169	2.2
247.05995	37.5
247.13214	1.1
248.06290	0.6
259.39926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	100.0
61.02896	0.7
70.94044	0.7
70.94362	1.5
70.98111	17.1
71.95263	1.6
74.97601	6.7
77.02851	0.7
84.96016	5.5
86.09695	0.8
86.97594	2.5
88.03908	0.7
88.99146	8.8
97.99179	1.2
98.20715	0.8
98.97563	3.5
100.99126	8.1
107.00191	2.4
110.97562	6.3
112.95515	1.2
116.98594	3.1
119.00182	4.8
126.97077	1.2
128.98581	7.9
128.99365	0.7
130.96510	3.3
133.01709	4.0
134.99715	1.6
141.01213	0.9
143.00134	1.0
144.98064	29.8
145.61829	0.7
146.99632	6.3
148.97623	3.7
151.02855	1.2
161.01221	3.2
162.99123	35.0
165.00728	3.9
166.98557	0.9
181.00151	11.2
181.01578	1.0
186.00687	1.2
186.99188	1.5
199.01227	0.9
205.00169	28.4
223.01215	52.5
224.01703	0.8
228.01920	1.0
229.12234	1.1
229.30278	0.7
235.82732	0.8
241.02309	5.5
246.02826	1.6
247.01343	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	247.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67384	1.0
53.11960	1.1
55.01840	1.3
56.96556	14.7
57.03416	3.8
58.99849	1.5
60.04483	1.1
61.02921	6.9
62.23177	1.3
68.13523	1.1
69.03407	1.4
70.06584	1.6
70.68758	1.6
70.69112	3.3
70.98106	4.2
72.08137	4.7
73.02917	1.1
75.35262	1.1
82.99806	1.6
85.02872	2.4
86.09689	11.5
87.09995	1.7
88.99134	3.7
89.58485	1.0
91.98911	1.4
98.97572	6.2
101.00860	28.8
113.00876	2.7
115.02422	15.1
115.05106	1.6
116.98594	2.7
117.03993	3.5
119.01900	100.0
120.01991	1.8
121.01627	3.4
121.03445	1.3
127.31165	1.1
128.98581	1.7
129.03961	5.0
131.01874	14.7
133.03439	24.1
134.99657	1.6
135.05048	2.9
137.02942	19.0
141.01245	3.9
142.03488	2.3
142.96626	1.5
143.01897	4.8
144.99811	8.2
145.03429	2.8
146.99599	5.1
147.05045	8.9
149.02937	3.4
150.01801	3.2
151.04501	3.2
155.01833	2.4
157.03424	3.9
159.05086	1.7
161.02930	12.6
163.00754	1.8
163.02632	2.5
163.04506	1.5
165.00677	5.9
168.99759	12.3
171.01381	1.8
172.99350	1.5
173.02908	10.3
175.00772	1.6
175.04504	4.5
177.00774	1.7
177.02477	2.4
185.02953	5.2
187.00861	26.9
187.02510	2.4
187.04462	2.7
189.00777	1.3
189.02391	2.6
189.06033	1.6
190.14174	1.2
191.04010	7.1
193.00186	1.6
193.01993	1.5
196.01285	1.9
196.99263	5.8
201.02405	5.4
203.03960	2.3
205.00111	3.1
205.01906	8.6
205.05569	3.8
210.02550	1.7
215.00328	37.1
217.01979	1.6
219.03549	3.9
223.01247	3.7
224.04018	1.7
227.03964	1.7
229.03323	2.4
233.01402	3.1
247.02892	5.1
247.04269	12.3
247.06670	8.4
265.04004	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	246.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.9
56.05016	1.8
57.06797	1.2
57.07065	18.7
58.47510	0.6
62.55278	0.7
67.05508	0.8
69.07059	2.5
69.41503	0.8
69.57495	5.7
70.06570	3.4
71.04972	1.2
72.08134	1.5
74.02423	5.4
81.03403	3.0
81.07059	1.5
83.08595	1.0
84.08147	0.9
86.06063	1.1
87.08093	100.0
88.03973	1.9
91.05495	1.1
93.06996	0.7
95.08562	0.8
96.08118	2.0
97.02927	0.9
98.06062	1.0
98.20733	1.6
100.03978	1.7
101.09631	1.5
102.05529	19.1
102.06207	1.0
110.09673	2.5
114.05538	3.9
114.09183	1.0
116.07071	3.5
117.05506	1.1
119.00211	0.7
130.06506	1.2
130.67012	0.8
132.08063	0.8
142.08636	4.0
143.08524	0.8
144.06567	2.1
145.10112	0.8
146.05986	1.2
149.61079	0.7
156.10199	5.0
159.08011	1.1
159.09204	1.5
159.11687	0.7
160.09673	13.7
172.04721	1.4
173.36273	0.7
174.89680	0.6
175.03944	1.5
179.46921	0.7
187.11105	1.3
188.07098	2.0
188.09148	1.1
200.09134	1.0
214.14418	3.6
218.10185	2.4
228.03688	1.0
229.12210	1.5
246.04860	1.1
246.09702	1.8
246.16621	6.4
247.09766	1.2
247.13135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.7
55.84274	2.8
56.05025	8.6
56.96555	39.1
57.03424	3.3
59.14917	2.3
60.04496	3.7
68.05019	13.7
69.03421	7.3
69.07056	36.9
70.02946	10.8
70.06586	17.2
70.98116	10.9
71.04993	5.2
71.05399	6.1
72.04492	3.4
72.08145	55.8
73.02927	3.1
74.02428	4.4
79.05490	3.7
81.03413	17.7
81.07043	7.4
82.06572	5.3
84.04492	58.7
84.08141	34.5
85.02888	9.2
85.03984	16.4
86.06058	6.5
86.09696	70.8
87.05577	46.6
88.03994	6.4
88.99143	7.5
91.05487	2.9
93.07002	3.1
96.04494	9.9
97.02883	4.6
97.06570	3.5
98.02399	13.6
98.09680	2.7
98.97566	11.2
99.04412	2.7
99.05554	2.8
100.07611	5.0
102.05514	17.5
103.05467	5.2
105.06988	4.3
107.04942	3.8
110.02380	53.8
110.09673	18.0
113.10739	31.4
113.63039	2.5
114.05516	30.2
116.98580	7.2
117.03765	3.0
117.05487	5.5
117.10236	3.6
120.08104	13.2
121.02831	4.8
124.03945	10.0
124.07602	5.0
125.07854	4.7
128.06148	2.8
128.98543	3.8
129.10219	4.1
130.04987	17.9
130.08650	4.3
131.22681	3.1
132.10216	16.4
134.99677	7.1
138.09113	16.7
140.21204	3.1
141.10202	63.8
141.11235	4.3
142.04971	20.2
143.08554	3.2
143.11801	12.5
144.06540	4.5
146.99649	12.2
148.06035	4.4
153.01837	11.0
155.11752	8.6
156.10190	21.6
158.11852	3.9
162.99187	3.9
165.00671	23.4
166.07312	4.5
166.08626	56.7
169.09732	4.2
175.03912	8.8
177.00673	5.3
183.01691	3.6
183.11391	10.3
184.09642	14.2
187.10780	46.0
188.02200	3.3
188.09186	7.5
189.09198	3.1
195.01692	3.0
200.09151	7.0
200.12080	3.1
200.13907	19.2
201.12590	7.4
202.10715	100.0
205.00204	9.2
211.10890	10.0
212.09145	65.0
218.10274	10.5
223.01146	13.8
228.08604	3.1
229.08568	4.5
229.11929	28.3
241.00151	3.7
246.09674	12.6
246.15556	7.8
246.18118	5.5
247.06210	3.3
247.09563	3.9
247.13283	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	245.1856
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.99470	0.2
55.05492	0.2
65.29157	0.2
67.57032	0.2
69.07052	0.5
69.88775	0.6
69.89191	0.7
70.06576	0.5
71.08614	0.4
72.08150	2.2
73.08476	0.7
80.05003	0.5
81.07050	0.3
84.08121	0.5
86.00642	0.4
86.09692	100.0
87.10017	0.4
87.12422	0.2
93.07014	0.3
99.08100	0.5
112.11284	0.3
114.03738	0.5
129.10103	0.2
132.10164	2.8
142.03210	2.7
142.06819	0.5
153.01836	0.4
156.13820	1.5
157.14189	1.8
170.02734	0.7
171.04437	0.7
171.15686	0.3
199.18011	1.5
228.21466	0.9
233.03941	0.4
240.03433	0.2
243.08623	0.2
245.04257	1.9
245.11661	0.4
245.18610	3.8
245.24127	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	245.1856
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01861	0.2
55.05507	0.2
56.05028	0.4
56.96545	0.2
57.03410	0.2
57.05793	0.2
57.07057	0.3
58.06581	0.6
67.05497	0.3
68.56223	0.2
69.07056	11.2
70.06587	0.4
71.04987	0.4
71.08601	0.4
71.26776	0.4
72.08141	3.1
73.08461	1.1
74.07971	0.2
79.05466	0.2
80.05003	0.7
81.03401	0.6
83.04960	0.3
84.04499	0.3
84.08128	0.9
85.02869	0.2
85.08479	0.2
86.09690	100.0
87.10036	0.5
88.80373	0.2
91.05506	0.2
93.07001	0.3
96.04522	0.2
98.97564	0.3
99.08080	0.6
100.08400	0.4
105.06998	0.3
107.08548	0.3
112.03922	0.2
112.11217	0.3
113.11565	0.4
114.03737	0.5
114.05514	0.4
116.98606	0.3
125.09614	0.2
128.10646	0.2
129.06992	0.2
129.10211	0.3
131.08540	0.3
132.10167	1.8
134.99661	0.3
142.03185	2.4
153.01869	0.2
156.13805	1.3
157.14153	2.8
170.02687	0.6
171.03177	0.2
171.15810	0.3
172.76869	0.2
189.04227	0.2
199.18095	0.6
201.26581	0.2
209.11687	0.2
218.10201	0.3
228.21542	1.5
233.04071	0.3
245.04514	0.6
245.08075	0.4
245.11806	0.5
245.18602	2.9
245.24187	3.3
246.04773	0.2
246.09746	0.4
252.05261	0.2
266.18549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1379
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.03924	1.9
55.01873	6.3
55.05504	79.1
57.03158	1.8
57.03428	26.5
57.07049	1.6
59.04971	2.1
60.50814	1.0
64.65665	1.1
67.05495	24.0
69.03429	9.4
69.07060	12.0
69.71585	2.6
69.72002	5.2
70.06579	1.3
71.04971	1.2
72.08138	2.3
79.05482	20.4
79.05956	1.5
79.06135	1.1
81.07043	16.9
83.04982	6.1
83.08607	45.6
84.08118	1.1
85.06511	2.8
86.09674	1.4
91.05450	6.5
93.07030	9.7
95.08598	2.1
97.10155	100.0
101.09668	1.4
105.07018	3.6
107.08571	27.4
109.06504	2.2
109.10125	3.6
111.08084	2.3
117.06995	3.1
119.08560	2.7
125.09614	91.8
129.07034	2.4
133.10167	1.7
135.08032	10.1
142.03145	1.3
143.08495	2.0
143.10649	6.2
145.10088	1.6
145.48817	1.0
153.09106	7.9
157.10074	1.2
157.14128	2.0
171.10152	6.6
189.11197	80.1
199.14859	1.1
227.10710	1.2
227.12686	4.9
228.21507	2.3
245.08194	4.1
245.13800	63.9
245.18971	6.3
245.24088	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95798	0.8
56.96560	12.5
58.99841	3.6
66.91398	0.7
69.03401	1.7
69.46156	0.7
70.06570	1.2
70.14572	3.0
70.98084	1.3
70.99845	1.6
71.95243	2.3
72.08148	1.7
74.02438	0.9
77.00895	2.2
78.95039	0.7
81.03397	1.7
82.06488	0.8
82.84377	0.8
82.99844	3.3
84.04478	1.3
84.08132	1.9
85.02871	1.5
86.06040	1.2
86.99348	1.3
89.00888	1.6
93.00949	0.8
97.02871	3.3
98.97575	7.9
101.00864	37.5
102.00927	1.1
103.02419	2.7
104.10715	1.3
105.00353	2.7
105.02168	1.7
109.02819	1.0
113.00851	5.1
114.71448	0.7
115.02408	4.9
116.98622	6.7
119.01905	100.0
120.01997	2.9
121.01537	1.0
121.03487	1.8
124.02440	1.3
127.02410	3.6
129.03951	4.1
131.01891	19.4
133.01633	2.2
133.03450	6.3
134.99638	4.4
137.00793	0.9
137.02930	13.8
139.02380	2.0
141.32539	0.9
142.03456	3.2
142.96516	2.0
143.01894	12.7
145.03441	26.0
146.99576	1.1
147.01360	4.8
147.05011	2.7
149.01187	1.9
149.02933	2.2
153.00645	0.8
155.01862	26.3
156.02673	1.3
157.03459	20.4
157.09248	0.8
159.04967	1.0
160.97617	1.7
161.02939	29.0
163.04558	4.7
165.00616	0.9
167.01881	12.7
169.03441	5.2
171.05013	6.5
173.02928	34.5
174.03152	1.6
174.99081	0.9
175.04486	8.8
178.03067	1.2
179.01837	4.2
184.04555	1.6
185.02937	85.0
186.03136	1.9
187.03018	1.1
187.04504	6.7
188.97057	6.6
189.06055	1.6
191.02255	0.8
191.04004	1.9
193.00171	1.5
194.02472	0.8
196.04529	1.1
197.02931	30.9
198.03212	1.1
202.98596	3.0
203.02237	1.3
203.04013	19.5
203.05861	1.4
206.98163	6.0
208.04523	4.4
209.03006	1.7
215.03990	10.4
220.04475	1.4
220.99741	1.5
221.05054	9.4
222.05302	1.5
227.03932	4.9
233.03889	6.0
242.04408	1.1
245.05019	35.2
245.09050	1.7
246.05028	1.3
250.84705	0.9
263.06018	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95798	0.8
56.96560	12.5
58.99841	3.6
66.91398	0.7
69.03401	1.7
69.46156	0.7
70.06570	1.2
70.14572	3.0
70.98084	1.3
70.99845	1.6
71.95243	2.3
72.08148	1.7
74.02438	0.9
77.00895	2.2
78.95039	0.7
81.03397	1.7
82.06488	0.8
82.84377	0.8
82.99844	3.3
84.04478	1.3
84.08132	1.9
85.02871	1.5
86.06040	1.2
86.99348	1.3
89.00888	1.6
93.00949	0.8
97.02871	3.3
98.97575	7.9
101.00864	37.5
102.00927	1.1
103.02419	2.7
104.10715	1.3
105.00353	2.7
105.02168	1.7
109.02819	1.0
113.00851	5.1
114.71448	0.7
115.02408	4.9
116.98622	6.7
119.01905	100.0
120.01997	2.9
121.01537	1.0
121.03487	1.8
124.02440	1.3
127.02410	3.6
129.03951	4.1
131.01891	19.4
133.01633	2.2
133.03450	6.3
134.99638	4.4
137.00793	0.9
137.02930	13.8
139.02380	2.0
141.32539	0.9
142.03456	3.2
142.96516	2.0
143.01894	12.7
145.03441	26.0
146.99576	1.1
147.01360	4.8
147.05011	2.7
149.01187	1.9
149.02933	2.2
153.00645	0.8
155.01862	26.3
156.02673	1.3
157.03459	20.4
157.09248	0.8
159.04967	1.0
160.97617	1.7
161.02939	29.0
163.04558	4.7
165.00616	0.9
167.01881	12.7
169.03441	5.2
171.05013	6.5
173.02928	34.5
174.03152	1.6
174.99081	0.9
175.04486	8.8
178.03067	1.2
179.01837	4.2
184.04555	1.6
185.02937	85.0
186.03136	1.9
187.03018	1.1
187.04504	6.7
188.97057	6.6
189.06055	1.6
191.02255	0.8
191.04004	1.9
193.00171	1.5
194.02472	0.8
196.04529	1.1
197.02931	30.9
198.03212	1.1
202.98596	3.0
203.02237	1.3
203.04013	19.5
203.05861	1.4
206.98163	6.0
208.04523	4.4
209.03006	1.7
215.03990	10.4
220.04475	1.4
220.99741	1.5
221.05054	9.4
222.05302	1.5
227.03932	4.9
233.03889	6.0
242.04408	1.1
245.05019	35.2
245.09050	1.7
246.05028	1.3
250.84705	0.9
263.06018	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	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32956	1.2
56.96559	16.5
58.99856	2.7
69.03419	1.9
70.03197	7.7
70.06556	2.0
70.98100	2.3
71.95244	2.5
72.08130	2.8
74.02434	1.7
77.00886	2.2
81.03394	1.5
82.24863	1.3
82.99821	1.8
83.05663	1.5
84.04494	5.1
84.08124	1.8
85.02875	1.6
86.06032	1.5
86.99326	1.3
89.00903	2.3
95.77613	1.3
97.02882	4.9
98.21320	1.4
98.97559	10.9
101.00857	30.2
103.02427	2.2
104.10714	9.6
105.00368	3.1
109.02892	1.7
112.05077	1.7
113.00867	3.8
113.03478	2.2
115.02417	2.3
116.98608	6.2
119.01898	100.0
120.01962	1.6
124.95509	1.5
127.01365	1.2
127.02406	3.6
129.03999	2.2
131.01883	21.4
133.01680	2.2
133.03462	9.8
134.99649	7.7
135.07040	1.3
137.02931	13.5
139.02431	1.7
142.03462	2.6
142.96500	4.5
143.01872	13.1
144.02611	1.9
145.03429	24.8
147.01367	2.2
147.05016	3.9
149.01257	1.9
149.02931	2.6
155.01872	24.4
156.13773	1.7
157.03439	18.5
159.05002	2.8
160.97592	2.0
161.02937	30.9
163.04485	4.8
164.70255	1.4
167.01921	10.8
169.03444	4.1
170.95889	1.3
171.05031	5.4
172.99696	1.5
173.02933	32.8
174.99269	1.7
175.04547	6.9
178.02890	3.4
179.01921	5.8
184.04555	2.5
185.02917	69.0
187.04546	8.6
188.97089	9.6
189.02419	1.9
191.04001	3.2
193.00307	3.3
197.02913	30.7
197.04649	2.1
202.98688	3.3
203.03963	21.4
206.98082	6.1
208.04503	3.0
215.04051	8.6
220.99667	2.3
221.05003	9.7
227.03996	5.1
244.23845	1.4
245.05020	34.4
245.11432	1.3
263.06021	3.4
266.68408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05495	6.4
57.03409	1.1
57.07063	7.5
67.05484	4.9
69.07055	8.2
69.94852	3.3
69.95256	1.5
72.63199	0.8
79.05473	4.8
81.07043	5.7
83.04942	0.9
83.08600	4.1
90.32854	0.8
91.05463	7.6
91.50227	0.8
93.03705	1.0
93.07024	5.4
95.04881	1.0
95.08585	5.2
95.84640	0.8
97.06518	1.2
97.10149	1.2
105.06991	9.2
107.08556	3.2
109.10134	1.5
109.25713	0.7
115.05424	2.1
117.06998	34.0
119.08572	3.8
121.10094	3.2
128.06190	5.2
129.06972	20.6
130.07794	1.1
131.08545	33.6
133.10089	8.0
133.42674	0.8
141.06946	2.3
142.07809	4.1
142.62648	0.8
143.08533	22.0
145.10095	13.7
147.11656	8.4
155.08546	1.5
156.09308	1.9
157.10101	19.7
159.11667	30.3
160.12032	0.9
161.13202	2.4
169.10077	2.0
170.10927	1.9
171.11653	18.7
173.13226	38.9
183.11668	1.3
185.13219	35.1
187.14815	2.5
198.13887	1.0
199.14780	33.8
200.15279	1.2
200.20042	0.9
213.16316	3.9
241.19470	100.0
242.19762	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	2.7
71.08618	9.1
72.08144	90.9
73.08484	0.7
73.24625	0.6
76.14433	0.5
84.08121	0.9
93.17304	0.6
99.08080	17.6
109.34954	0.7
112.11208	1.8
116.54272	0.7
128.10677	1.4
134.88449	0.6
153.46400	0.7
156.13814	100.0
157.14188	1.2
166.41408	0.6
173.15109	0.9
173.16489	12.7
227.21147	29.7
244.23808	44.2
245.24091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.05507	4.3
56.02631	1.7
57.07058	1.0
59.04999	0.9
59.14660	0.5
65.03934	0.7
67.05492	22.8
69.07063	4.3
70.08276	3.8
71.04979	100.0
79.05473	13.2
81.03413	1.1
81.07040	36.2
83.04964	2.3
83.08608	2.5
85.06523	5.3
85.22352	0.6
91.05460	9.3
93.07027	24.7
95.04946	3.1
95.08584	17.9
97.06511	4.0
99.08080	2.3
105.07015	5.3
107.04967	0.7
107.08571	8.5
109.06478	1.5
109.10147	1.8
111.08076	2.2
117.06992	8.9
119.08592	2.0
121.06480	0.6
121.10139	2.6
129.07018	0.9
130.95105	0.6
131.08528	7.9
131.09303	0.7
133.10097	6.4
135.08011	0.9
135.11661	14.5
135.12639	1.0
141.09166	0.7
143.08582	1.5
145.10107	1.0
149.13245	9.5
157.10089	1.0
159.11652	16.2
159.12955	1.0
161.13368	0.7
171.11726	1.8
173.13287	1.0
177.12726	8.5
185.13300	2.3
190.54315	0.6
199.14767	1.1
203.87122	0.6
209.15442	2.2
213.16508	0.7
241.19485	7.1
241.21570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	0.8
55.05494	4.3
56.02648	1.2
60.88263	0.7
67.05495	23.7
69.07063	5.9
69.97243	4.1
71.04978	100.0
73.06540	0.7
79.05482	12.9
81.07039	35.1
83.04962	2.0
83.08614	2.5
85.06515	5.8
85.06869	0.5
89.09245	0.6
91.05463	8.3
93.07027	22.6
95.04973	2.2
95.08588	17.9
95.09196	1.0
97.06516	3.6
99.08102	1.7
105.07006	5.7
107.08578	8.2
109.06512	1.7
109.10141	1.9
111.08071	2.1
113.93889	0.6
117.06982	7.9
119.08576	1.8
121.06537	1.3
121.10154	1.5
122.98833	0.7
123.08091	0.7
125.09589	0.8
127.07520	1.0
129.06970	1.4
131.08548	8.6
133.10104	7.5
135.08116	1.2
135.10675	0.4
135.11664	13.6
149.13235	8.3
157.10176	0.9
159.11676	16.7
159.12949	1.1
171.11644	1.5
171.87746	0.7
173.13240	1.1
177.12711	6.4
179.32849	0.7
185.13258	1.1
199.14844	0.8
209.15387	2.8
241.19658	4.6
257.10056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11279	0.6
53.03934	1.9
55.00624	0.7
55.05505	4.4
56.02637	1.3
57.03394	0.7
57.07076	1.9
65.03938	1.0
67.05493	26.4
69.07057	5.9
69.35603	2.4
69.36034	5.5
71.04980	100.0
72.05325	0.8
79.05482	14.4
81.03383	0.9
81.07042	38.8
83.04966	2.5
83.08608	2.0
85.06532	5.9
91.05462	11.2
93.03712	1.0
93.07030	25.4
95.04961	2.6
95.08588	18.7
97.06515	5.8
99.08085	2.1
105.07007	7.6
107.08567	8.1
109.06517	1.3
109.10127	1.6
111.08064	2.7
115.05432	1.0
115.07557	1.0
117.07005	12.1
119.08557	2.1
121.07355	0.7
121.10135	2.9
127.07547	0.9
128.06201	1.2
129.06981	7.2
131.08549	11.8
133.03189	0.7
133.10091	7.8
134.32150	0.7
135.11673	13.4
142.07744	1.6
143.08545	7.1
144.09384	0.8
145.10086	1.9
147.11652	2.0
149.09605	0.8
149.13217	8.7
155.08519	0.7
157.10112	3.9
159.11679	20.1
161.13234	1.1
171.11664	8.1
173.13252	4.8
177.12704	7.4
185.13231	7.0
191.30325	0.6
199.14761	6.0
209.15358	2.8
241.15791	1.2
241.19505	24.1
241.21936	1.4
255.85623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	0.8
55.05494	4.3
56.02648	1.2
60.88263	0.7
67.05495	23.7
69.07063	5.9
69.97243	4.1
71.04978	100.0
73.06540	0.7
79.05482	12.9
81.07039	35.1
83.04962	2.0
83.08614	2.5
85.06515	5.8
85.06869	0.5
89.09245	0.6
91.05463	8.3
93.07027	22.6
95.04973	2.2
95.08588	17.9
95.09196	1.0
97.06516	3.6
99.08102	1.7
105.07006	5.7
107.08578	8.2
109.06512	1.7
109.10141	1.9
111.08071	2.1
113.93889	0.6
117.06982	7.9
119.08576	1.8
121.06537	1.3
121.10154	1.5
122.98833	0.7
123.08091	0.7
125.09589	0.8
127.07520	1.0
129.06970	1.4
131.08548	8.6
133.10104	7.5
135.08116	1.2
135.10675	0.4
135.11664	13.6
149.13235	8.3
157.10176	0.9
159.11676	16.7
159.12949	1.1
171.11644	1.5
171.87746	0.7
173.13240	1.1
177.12711	6.4
179.32849	0.7
185.13258	1.1
199.14844	0.8
209.15387	2.8
241.19658	4.6
257.10056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83391	0.3
55.01862	0.6
55.05497	0.7
56.96302	0.5
56.96557	7.0
57.03431	0.7
58.06591	19.7
58.99850	0.3
61.02914	2.4
69.07057	0.5
70.06579	3.4
70.98099	1.1
71.04980	0.5
71.44222	0.7
72.08121	0.7
73.02898	0.7
74.97591	0.3
77.00854	0.4
78.00964	0.4
79.05486	0.4
81.03398	0.9
83.04955	0.5
84.04478	1.1
84.07652	0.7
84.08128	10.8
85.02874	1.5
88.99165	0.5
95.06075	0.7
97.02876	0.6
97.99162	0.4
98.06059	0.4
98.09673	1.3
98.96962	0.6
98.97565	8.0
100.11253	0.4
101.00871	0.3
101.02530	0.5
105.00297	0.3
110.07143	0.7
110.97536	0.3
111.80486	0.3
112.08711	0.3
113.00815	0.6
116.07088	0.4
116.97768	0.4
116.98602	7.6
117.01826	1.2
117.04002	0.3
119.01898	2.0
120.01984	1.1
121.01640	0.7
124.03929	0.8
126.00722	0.8
126.02534	0.9
127.01517	1.1
128.10696	3.9
128.98589	0.8
131.01895	1.9
132.01999	0.5
133.01607	0.4
133.03455	1.2
134.03560	0.8
134.99637	5.1
135.03137	0.4
137.02928	0.5
138.03049	0.4
139.02658	0.4
141.93599	0.4
143.00125	0.4
144.10159	1.3
145.03441	0.4
146.99617	0.7
147.01234	0.7
149.02946	0.7
150.01814	0.6
150.18349	0.3
150.51862	0.3
152.04654	0.3
153.00659	0.6
155.01035	0.4
156.01816	0.7
158.01245	0.6
159.01244	0.4
160.00221	0.5
161.01314	0.3
161.02998	0.8
162.06081	0.3
163.04477	0.4
165.00729	0.7
165.02206	0.3
168.10173	1.1
169.00723	0.4
170.11719	0.8
172.13283	0.5
172.97589	0.9
173.02913	0.5
175.00813	0.7
175.02692	0.4
176.00948	1.7
177.00671	1.2
178.02486	0.4
181.02522	0.6
187.00717	0.7
189.00728	0.5
189.52440	0.3
190.01277	1.8
190.02802	0.4
190.98639	3.0
191.02132	0.6
193.00180	0.5
193.01895	0.4
193.03790	0.4
194.02095	0.7
196.01410	0.5
196.09679	5.4
199.01878	0.6
205.00078	0.4
208.99702	0.5
213.02467	0.6
213.15918	0.5
218.02023	1.6
219.01834	0.8
227.02142	0.5
231.03464	1.0
236.03146	0.8
236.99274	0.4
237.02814	0.4
241.15433	100.0
242.15767	2.0
242.18137	0.3
258.99744	2.2
259.02554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37871	1.5
53.03932	2.4
55.01862	4.3
55.05508	11.8
56.74949	1.3
57.03424	3.8
57.07059	1.4
67.05499	15.7
68.58162	1.2
69.03436	2.0
69.07074	8.0
69.41587	14.7
71.04987	3.6
79.05475	24.0
81.03404	2.8
81.07041	20.1
83.04961	3.5
83.08595	7.4
84.85819	1.4
91.05468	8.1
91.36703	1.3
93.07028	29.8
95.04951	5.6
95.08592	35.3
97.06498	3.6
97.10100	1.4
99.04443	3.9
105.07022	5.2
107.04948	8.2
107.08572	24.4
109.10129	1.6
109.54980	1.6
111.04385	1.4
111.08076	1.3
117.07013	7.3
119.08573	9.6
121.06500	4.3
121.10128	10.9
125.05939	3.2
128.18199	1.5
130.07764	2.3
133.10075	2.0
135.11674	40.2
139.07477	1.4
143.08615	1.8
145.10114	25.6
159.11685	1.7
163.11166	60.5
164.11644	1.9
181.12202	15.7
227.12750	100.0
228.13123	2.7
241.19467	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	240.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
57.41650	0.3
67.05486	0.7
67.51859	0.3
69.07047	0.9
69.92278	0.6
69.92696	1.7
70.06576	0.7
72.04486	0.8
74.06068	0.6
79.05472	1.2
81.07039	1.4
81.46342	0.3
82.06576	0.4
83.04964	0.5
83.61297	0.4
84.05307	0.4
86.88000	0.3
89.92594	0.3
91.05462	0.6
93.07021	1.5
94.06532	0.9
95.07310	0.3
95.08572	1.5
100.07624	0.4
107.08566	0.7
108.08113	1.0
109.10146	0.5
112.07581	0.7
114.09128	0.4
122.09627	1.0
124.07572	4.2
124.11172	0.4
126.09098	0.6
128.10683	0.5
135.11604	0.5
136.11192	2.1
137.13216	0.5
138.09125	0.5
139.09854	0.5
140.10669	0.5
142.12274	1.6
147.80089	0.3
150.12697	1.5
151.13519	0.8
152.07053	0.4
152.10703	2.2
152.14291	0.5
153.11450	0.9
154.12250	1.7
166.12244	4.1
167.13034	2.5
168.13783	1.3
181.04941	0.4
194.15384	1.8
196.16940	100.0
197.17278	2.4
198.18513	1.4
226.07124	0.5
240.06529	0.4
240.19548	47.8
241.19847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.159
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
50.93079	0.7
55.01864	9.2
55.05493	1.6
55.41895	0.7
56.05032	1.5
59.60006	0.8
67.05477	3.1
68.05033	4.3
69.03401	2.3
69.07055	14.7
70.02933	3.9
70.06212	1.5
70.06581	22.6
70.15730	0.7
70.30807	0.8
71.04978	29.7
79.05481	5.0
80.05005	2.0
81.07040	6.3
82.06557	1.7
83.04971	1.7
84.02116	2.6
84.04436	1.1
84.08143	0.9
86.06046	5.8
86.49821	0.9
87.00397	0.8
91.05465	1.4
93.07025	2.0
94.06552	1.5
95.04901	0.9
95.07318	1.8
95.08589	1.8
96.04454	2.5
96.07514	1.2
96.08114	24.8
97.02872	1.0
97.05252	2.0
97.06510	2.1
98.06021	2.4
98.09682	10.3
105.06968	1.1
105.74127	1.1
106.06536	7.4
106.34408	0.8
107.08559	4.4
108.08088	7.0
109.10113	2.8
112.07603	1.2
117.58958	0.8
120.08080	1.4
122.06016	12.5
122.09613	1.4
124.07570	79.7
124.11201	2.3
125.08359	4.6
126.09095	2.7
131.28908	0.9
134.09573	0.8
136.07553	3.0
140.07036	18.2
148.07515	1.3
150.12762	6.0
152.07013	4.2
152.10681	2.3
153.07823	13.5
154.08667	0.9
166.08603	1.1
176.14229	4.1
179.74536	0.7
194.15367	9.2
198.03726	0.9
204.13788	8.9
222.14850	100.0
223.15233	1.3
240.12231	0.9
240.15950	6.9
246.30424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.58953	2.5
55.05508	33.7
57.03425	4.3
57.07064	22.1
59.04992	26.5
64.00499	3.0
65.03925	4.6
67.05503	22.0
69.03410	2.8
69.07058	46.5
71.04978	9.2
71.08630	6.7
71.70042	4.8
71.70413	2.7
73.06518	3.5
79.05470	15.4
81.07049	82.6
83.04922	3.5
83.08614	23.3
85.06533	6.4
87.04416	2.7
91.05456	9.4
93.07041	26.1
94.43950	2.6
95.05016	2.8
95.08002	5.7
95.08601	100.0
97.06509	17.4
97.10147	24.3
99.04460	3.2
99.08077	4.1
105.07028	14.9
107.08578	47.1
109.06503	4.1
109.10151	48.0
111.08065	12.1
111.11696	13.6
115.07558	3.1
119.08575	28.2
121.10144	39.1
123.08022	4.5
123.11702	37.8
125.09613	13.1
133.10127	29.7
135.11682	27.4
137.09616	4.7
137.13239	97.1
139.11143	22.3
142.73218	2.6
143.10670	9.0
147.11673	23.9
149.13232	16.4
151.11179	13.1
151.14842	4.0
161.13156	14.3
163.14809	36.7
165.12744	7.9
169.12206	3.7
175.14748	3.4
177.16379	11.2
183.11684	6.0
193.19543	6.4
197.13234	4.6
203.17926	61.0
221.17131	2.6
221.18990	59.2
222.19456	3.6
239.08910	4.1
239.17841	11.6
239.20036	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05502	30.6
57.03419	5.9
57.07063	21.2
59.04989	29.7
62.06057	3.2
66.96800	2.2
67.05493	29.4
68.37731	2.3
69.03402	4.4
69.07059	41.1
71.04980	9.4
71.08613	6.0
71.70158	3.0
79.05491	19.6
81.07046	92.5
83.04941	5.5
83.08601	21.4
85.06519	10.9
87.87091	2.4
89.06002	3.7
91.05450	5.2
93.07037	29.3
95.04942	6.4
95.08006	5.0
95.08593	100.0
95.09203	4.8
97.06510	10.1
97.10155	19.0
99.08067	4.4
105.07023	14.9
107.08581	36.2
108.40431	2.3
109.06499	6.4
109.10135	45.9
111.08080	13.3
111.11705	9.4
113.09608	2.5
115.07535	3.1
117.06896	2.7
119.08554	27.6
121.10126	31.6
123.08054	6.8
123.11671	30.0
125.09627	11.8
127.11176	2.4
133.10110	20.7
135.11665	30.8
137.09622	5.8
137.13234	82.5
139.11180	19.3
143.10629	6.1
147.11655	25.2
149.13268	18.4
151.11171	8.3
151.14833	4.0
153.12738	5.0
157.12251	3.1
161.09561	2.7
161.13269	11.7
163.14819	32.0
165.12714	8.9
174.91853	2.2
175.14769	5.5
177.16377	5.3
179.07089	2.6
193.19511	6.0
203.17909	47.3
221.18979	49.7
237.79060	2.5
239.09079	6.0
239.16292	3.4
239.20013	24.2
240.19731	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	239.1274
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03929	1.6
55.01855	1.1
55.05489	3.6
57.03414	1.2
57.07087	1.0
59.04982	2.1
67.05489	6.4
69.03416	6.3
69.07055	6.5
70.75845	0.8
70.76173	2.0
75.78876	0.7
79.05482	14.5
81.07042	81.3
81.20948	0.8
83.04967	29.6
84.02944	0.8
85.06527	6.2
86.14275	1.0
91.05453	11.6
93.07022	19.7
95.04949	9.1
95.08583	2.8
97.06512	22.0
105.04467	1.2
105.07021	6.7
107.04935	9.7
107.08586	5.1
109.06497	28.7
109.10119	6.4
111.04388	0.8
111.08051	2.7
113.05974	3.8
117.06986	2.0
119.04936	4.5
119.08546	6.9
121.06503	7.1
121.10112	3.7
123.04375	4.0
123.08085	1.3
123.11687	1.5
125.05959	4.6
125.09605	1.0
127.07539	8.2
129.07022	2.0
131.08582	1.4
133.06473	1.7
133.10091	6.5
135.08006	3.6
135.11676	6.1
137.05952	51.1
137.09593	6.3
142.07690	1.5
145.06535	1.6
145.10115	6.2
147.11652	4.9
149.09596	1.8
151.07478	1.6
151.11172	2.5
153.09058	2.2
155.06985	5.5
155.08435	1.6
157.10049	3.9
158.07231	2.2
159.11609	1.2
160.08711	1.2
161.09572	5.0
163.07483	1.7
163.11157	2.2
165.05463	2.7
165.12726	1.5
173.09592	16.4
175.11151	9.8
177.12685	1.2
179.10631	10.4
181.12207	2.6
185.09560	3.3
191.10594	13.3
193.12166	9.5
203.10626	10.3
211.13225	0.9
221.11700	25.0
239.12737	100.0
240.13039	2.4
242.10724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1274
Annotation	Stachyline D
Peak:m/z	Relative Intensity
51.50320	1.1
53.03928	3.9
55.05489	5.5
57.03419	2.2
57.07070	2.9
59.04980	3.7
61.54436	1.3
66.04671	1.2
67.05492	12.2
69.03432	6.8
69.07061	11.3
70.06599	1.1
71.04973	3.0
71.68318	2.7
76.17129	1.2
79.05479	19.8
81.03429	1.3
81.07045	99.1
83.04967	34.3
85.02867	1.5
85.06527	6.4
86.09700	1.9
91.05472	16.3
93.07030	20.5
95.04956	12.4
95.08581	4.7
96.36462	1.3
97.06513	25.5
98.06879	1.4
101.05997	1.8
105.07016	11.0
107.04942	6.6
107.08565	7.2
109.06496	35.2
109.10138	8.1
111.04483	2.5
111.08044	4.5
113.05983	3.9
117.07027	2.0
119.04911	4.5
119.08594	7.1
121.06495	8.0
121.10119	3.4
123.04376	4.1
123.08041	3.7
123.11675	1.5
125.05956	4.7
127.07543	9.1
129.06964	2.1
133.06467	2.7
133.10130	6.6
135.08023	4.7
135.11679	6.7
137.05956	54.1
137.09573	8.4
142.07826	2.5
143.08536	1.6
144.09262	1.6
145.06467	1.8
145.10077	7.8
147.08046	1.5
147.11679	5.9
149.09579	3.0
151.07510	1.9
151.11168	2.1
153.09029	1.5
155.06970	6.1
155.08345	1.8
157.10114	4.1
158.07217	2.5
159.11742	2.5
160.08769	2.4
161.09599	5.0
163.07515	1.6
163.11172	3.5
165.05408	3.8
167.01886	1.2
167.10640	1.7
173.09570	17.0
175.11154	11.1
179.10648	10.7
181.12270	1.9
185.09526	3.6
191.10635	16.9
193.12196	10.0
203.10648	10.1
208.15027	1.3
221.11684	22.4
239.12738	100.0
240.13159	1.8
256.25894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03929	1.6
55.01856	1.8
55.05499	8.2
57.07066	2.1
65.03927	2.3
67.05492	56.7
68.26063	0.6
69.03416	0.5
69.07061	8.8
70.95528	0.5
71.04984	1.6
71.08616	0.8
71.71252	1.0
73.06535	0.6
73.33903	0.7
79.05480	20.5
81.07043	91.8
82.07388	0.9
82.32771	0.7
83.04977	2.0
83.08607	6.4
85.06536	2.9
91.05444	7.9
93.06425	1.0
93.07027	22.1
95.04956	15.7
95.08589	100.0
97.06506	4.1
97.10164	2.8
99.08084	2.4
101.06004	1.1
105.07002	7.4
107.08570	20.8
109.06499	3.2
109.10139	32.9
111.08054	2.6
113.09640	1.0
115.07494	1.0
117.07005	2.1
119.08571	7.0
121.06499	1.9
121.10124	29.3
123.08047	5.4
123.11672	5.4
125.09605	1.8
131.08543	12.3
133.10114	3.3
135.07999	2.8
135.11665	5.5
139.11119	0.9
141.09041	1.0
145.10098	15.9
147.08002	1.1
147.11598	2.0
149.09613	4.4
149.13217	1.4
155.10606	1.0
159.11668	5.6
161.13208	4.3
163.11137	5.0
163.14799	14.7
177.12753	0.7
177.16373	4.6
181.12173	0.7
187.14795	31.1
205.12029	0.9
205.15839	17.5
219.20967	0.9
237.16426	0.6
237.18471	11.6
237.22044	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.12849	2.6
53.03936	6.8
55.01860	5.5
55.05495	27.0
56.96551	15.4
57.03418	9.1
57.07065	10.7
59.04978	6.1
59.54449	2.7
67.01836	2.9
67.05493	37.8
69.03418	16.3
69.07059	38.4
70.06597	3.9
71.04983	43.9
71.69899	4.8
79.05484	40.5
81.03379	4.0
81.07042	100.0
83.04968	18.4
83.08608	8.7
84.08141	4.4
85.02896	6.4
85.06536	8.1
89.06036	4.3
91.05467	34.4
93.07027	56.8
95.04966	18.8
95.08601	44.0
97.02895	4.1
97.06516	20.7
97.10165	7.6
98.97566	12.5
99.04432	3.7
99.08080	30.6
103.05426	4.5
105.07015	43.6
107.04940	8.1
107.08582	49.6
109.06493	27.0
109.10128	76.9
111.04443	5.1
111.08083	8.7
115.05434	5.6
116.98615	7.7
117.06981	15.0
119.08565	22.4
120.08138	3.9
121.06495	10.6
121.10133	37.4
121.90028	3.1
123.08035	11.1
123.11687	18.3
125.09607	10.0
127.07526	13.9
127.11164	29.1
129.06992	8.8
131.08559	18.3
133.10098	45.4
134.99606	6.1
135.04312	4.1
135.08002	8.7
135.11662	26.2
137.05995	8.5
137.09602	7.3
139.11107	6.3
143.10643	4.0
144.05666	5.8
145.06448	5.8
145.10106	27.0
147.11659	11.8
149.05988	6.8
149.09540	5.4
149.13237	17.9
151.07600	3.8
151.11165	46.2
153.03654	2.9
153.05476	4.0
155.10675	9.7
156.08022	4.0
157.06427	3.5
157.10098	3.2
158.99629	5.1
159.08014	10.9
159.11652	20.4
161.13246	8.5
163.04156	3.1
163.07542	10.1
163.11147	8.9
163.14799	3.8
165.05402	6.5
165.12700	5.0
169.12126	3.0
173.05937	4.2
173.13287	8.6
175.07573	4.9
177.00653	5.8
177.05418	7.3
177.12700	7.2
177.16333	4.5
181.08627	4.5
187.07602	8.4
189.16367	3.6
191.07021	20.1
191.10684	3.5
191.17931	5.2
201.12685	4.7
201.16435	14.8
219.06511	12.8
219.10182	13.3
219.13655	6.0
219.17389	18.4
234.96425	3.0
237.07405	26.4
237.11031	6.0
237.14838	8.4
237.18513	42.0
237.22073	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	237.1481
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.52729	2.1
55.01861	12.2
55.05511	14.0
57.03426	2.9
57.07055	7.2
58.69875	2.5
65.03917	2.9
67.05499	23.3
69.03411	5.2
69.07056	15.9
69.63296	17.8
70.06569	2.9
71.04980	7.7
72.08131	3.6
79.05487	35.9
81.03391	3.2
81.07041	24.0
83.04961	9.9
83.08587	4.3
84.08128	3.2
85.02892	3.7
85.06522	4.0
86.09716	4.9
91.05462	17.9
93.07035	22.7
95.04952	13.5
95.08595	39.1
97.06503	12.2
97.10143	2.8
103.05457	4.7
105.07022	16.2
107.04929	14.5
107.08582	16.6
109.02876	2.1
109.06504	5.6
109.10155	5.1
111.04408	5.5
111.08076	3.5
113.06004	4.1
115.03865	3.2
115.05444	2.3
117.07001	14.4
119.08533	10.5
120.08113	7.0
121.02866	3.3
121.06499	20.4
121.07394	2.2
121.07691	2.3
121.10114	7.6
123.08038	5.1
125.05984	19.7
125.09623	4.0
126.95303	2.1
129.06976	4.1
129.10265	2.9
131.04900	7.4
131.08536	22.9
133.06363	2.9
135.08041	14.8
135.11708	3.6
137.05957	4.5
139.07503	5.7
141.06900	3.4
143.07014	11.2
145.10100	9.5
147.11707	2.7
148.05148	5.2
149.05960	100.0
149.09581	4.0
151.07547	8.7
153.09096	4.2
155.08551	3.3
157.10083	4.1
159.07977	4.5
159.11673	7.6
161.05870	2.8
163.03857	2.5
163.07527	33.9
165.08995	2.5
166.08636	2.9
167.06999	8.8
173.13242	28.7
175.11206	2.6
177.09094	4.3
177.12743	3.6
178.02962	3.3
178.53038	4.6
181.08565	5.2
183.11691	8.9
191.07051	2.5
191.14305	9.2
201.12703	19.5
219.06471	2.8
219.13766	27.1
237.07520	4.3
237.12724	2.8
237.14825	66.6
237.22043	13.5
238.05228	5.1
251.70264	2.6
257.15598	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	237.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59060	0.4
53.03939	0.8
55.01855	1.5
55.05496	1.8
56.38776	0.4
57.07066	1.1
59.04954	0.4
59.16420	0.4
65.03925	1.6
67.05492	7.5
67.18782	0.3
68.22419	0.4
69.07053	1.9
71.01318	0.4
71.04994	1.8
76.92593	0.3
79.05478	7.3
81.03379	0.7
81.07043	15.4
83.04964	1.7
83.08642	0.8
85.02885	2.4
85.06544	0.8
91.05467	6.8
93.07026	6.0
95.04951	100.0
95.08589	8.2
95.09191	0.6
96.05273	1.1
97.06493	2.0
99.08136	0.4
105.07008	5.3
107.04912	0.9
107.08578	3.1
109.06500	4.3
109.10100	0.4
111.04440	0.6
117.07007	4.2
119.08548	6.8
121.06479	4.8
121.10144	3.5
123.08044	4.5
129.06992	2.0
130.07727	0.4
131.08595	1.8
133.10118	1.3
135.08044	2.0
135.11664	5.3
141.06995	1.0
143.08528	1.3
145.06485	0.8
145.10094	11.3
147.08035	7.2
154.07794	0.4
159.11655	4.8
161.09552	2.3
163.11154	24.1
169.10121	1.2
177.12708	2.5
179.10614	0.8
181.80724	0.5
187.11159	4.2
205.12181	5.0
219.13777	1.6
237.14627	2.9
237.22174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1687
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03928	2.2
55.01854	3.6
55.05494	7.2
57.03421	2.1
57.07064	27.4
59.04979	3.4
61.24500	1.1
65.03923	1.5
67.05487	15.8
69.03401	4.4
69.07058	11.9
69.46181	5.5
69.46603	7.9
71.04961	3.0
71.08582	1.2
73.79337	1.2
78.81618	1.2
79.05478	12.6
81.07046	25.8
83.04958	3.5
83.08595	5.2
85.06508	4.3
91.05456	18.7
93.07024	20.9
95.04937	7.4
95.08590	28.8
97.06509	5.4
99.08029	1.5
105.06332	2.3
105.07009	29.3
105.07703	1.9
107.08578	29.7
109.06501	9.6
109.10141	17.9
111.08059	4.6
117.06979	5.2
119.08559	79.2
121.06470	2.5
121.10121	17.7
123.04418	2.2
123.08004	5.8
123.11654	5.0
125.09608	1.9
128.06190	2.8
129.06958	3.1
131.08545	13.4
133.06523	2.3
133.10106	42.5
135.08031	17.9
135.11688	7.9
137.09613	6.0
139.11177	2.0
142.07738	3.9
143.08546	8.9
144.09293	1.5
145.10092	12.2
146.07278	1.7
147.08012	5.9
147.11655	19.1
149.09560	4.2
149.13272	2.9
151.11163	6.8
151.14793	1.3
156.09355	2.7
157.10101	11.3
158.10869	3.0
159.08015	1.4
159.11635	9.5
160.08806	2.7
161.09593	27.5
161.13213	5.1
169.10143	2.8
170.10912	1.6
171.11598	7.4
173.13211	16.4
175.11211	13.1
175.14812	17.6
177.12733	4.2
179.10641	20.0
184.12437	1.8
187.11208	2.1
187.14798	3.4
189.12683	3.8
189.16357	17.0
191.14301	2.5
193.15880	2.9
199.14830	11.6
202.13463	3.0
207.59306	1.1
217.15840	86.7
217.19458	9.3
218.16115	1.5
235.16884	100.0
235.20367	13.3
236.17162	4.0
247.48831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1896
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03912	1.4
54.03038	1.0
55.01851	3.7
55.05500	11.3
57.03397	2.3
57.07053	3.8
60.26484	1.1
67.05145	1.9
67.05492	33.5
69.07059	10.7
70.83269	1.6
71.04978	5.7
74.06046	1.4
78.45906	1.1
79.05482	34.4
81.07040	43.4
82.07405	1.0
83.04967	5.8
83.08598	4.6
85.06505	4.7
86.08507	1.2
86.09688	1.1
91.05462	44.8
93.07027	40.0
95.04952	7.3
95.08004	2.1
95.08592	36.5
97.06516	12.0
97.10146	3.3
99.08070	3.3
103.05463	1.9
105.07011	32.7
107.04931	4.0
107.08578	26.7
109.06522	6.6
109.10137	16.2
110.27795	1.1
111.08066	6.8
113.83852	0.9
115.05431	3.5
116.06245	1.7
117.07000	20.7
118.06539	1.1
119.04918	1.2
119.08556	31.7
121.06474	6.0
121.10118	34.5
123.08038	5.9
123.11660	6.5
125.09623	2.4
128.06201	3.2
129.06956	7.0
130.07751	1.9
131.04866	3.9
131.08543	33.6
132.08905	1.4
133.06538	1.3
133.10106	39.9
135.08034	5.2
135.11674	23.5
137.05943	1.9
137.09592	7.3
137.13110	1.4
141.06938	2.8
143.08521	3.6
144.05635	2.8
144.09267	1.6
145.06464	7.4
145.10098	34.3
147.04314	1.1
147.07957	2.1
147.11652	19.2
149.09613	7.9
149.13229	7.9
151.07480	1.2
151.11159	6.0
153.09006	1.5
155.06013	1.2
157.06432	4.5
157.10059	1.9
158.07260	4.2
159.04463	1.1
159.08032	8.5
159.11671	25.7
160.05139	1.2
161.05917	2.0
161.09650	1.4
161.13234	7.7
163.11156	6.0
163.14795	1.7
169.06398	2.9
169.10089	1.3
171.07986	3.8
171.11740	1.6
172.05220	2.6
172.08820	11.0
173.05945	10.4
173.09601	6.8
173.13232	18.0
174.06731	2.2
174.10405	5.2
175.07486	2.3
175.11116	1.6
175.14795	4.3
177.09103	2.2
177.12758	3.2
184.08789	6.7
185.05923	2.1
187.07489	2.9
187.11130	4.3
187.14757	12.5
188.08302	23.3
189.08987	2.4
189.16354	13.9
191.07054	1.9
191.14165	1.3
191.17938	1.6
200.08305	2.9
200.33769	1.1
202.09853	2.5
203.10626	21.1
205.08519	3.4
205.12238	5.6
215.07256	1.6
215.10664	12.4
215.14449	2.6
215.17918	71.0
216.18239	1.9
218.05685	2.1
233.04324	1.4
233.08072	9.6
233.11671	37.4
233.15482	10.2
233.18954	100.0
234.11839	2.0
234.14862	2.3
234.19272	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	233.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03923	2.7
55.01863	6.4
55.05499	13.0
56.96538	1.4
57.03418	1.8
57.07067	5.2
65.03915	3.4
66.09919	1.0
66.75793	0.9
67.05493	29.6
69.03393	2.1
69.07054	18.9
70.99040	0.9
71.04974	4.9
71.69828	1.9
71.70200	1.1
73.06518	1.2
77.03902	1.1
79.05480	35.4
81.07042	39.2
83.04961	6.2
83.08617	6.8
85.06522	5.7
86.09671	1.1
91.05466	51.4
92.81914	1.0
93.07028	42.0
95.04971	6.9
95.08590	40.9
97.06511	24.7
97.10134	2.2
99.08069	3.7
103.05444	2.8
105.03345	1.9
105.06336	2.0
105.07018	38.7
105.07719	2.3
107.04932	4.4
107.08572	30.2
109.06496	10.6
109.10127	16.9
111.04383	1.1
111.08050	5.5
115.05435	4.6
115.95215	1.0
116.06218	1.4
117.07001	19.7
119.04913	5.6
119.08561	37.8
121.02800	1.0
121.06447	7.6
121.10124	32.5
123.08046	6.7
123.11687	5.3
125.09587	2.1
128.06180	1.8
129.06961	4.2
130.07719	1.6
131.04900	3.1
131.08548	46.2
133.06454	1.4
133.10104	51.1
134.10760	1.3
135.04350	2.7
135.08041	11.1
135.11671	23.7
137.05954	27.4
137.09601	8.7
137.13197	2.1
143.08554	2.2
144.05678	2.0
144.09358	1.6
145.06471	7.7
145.10097	40.2
147.04373	2.0
147.08011	2.0
147.11671	19.3
149.09607	7.6
149.13240	9.3
151.11156	4.6
153.09074	2.0
155.08514	2.2
157.06465	1.2
157.10100	3.1
158.07303	2.7
159.07997	4.1
159.11671	31.9
161.05978	1.5
161.09613	1.7
161.13283	7.0
163.07419	1.3
163.11081	6.5
165.05540	1.5
169.10088	1.2
171.08078	1.2
171.11674	2.7
172.05162	2.7
172.08748	1.9
173.05933	2.9
173.09584	12.2
173.13223	20.1
174.06625	1.1
175.03848	1.8
175.07431	1.0
175.11206	1.5
175.14812	4.3
176.04698	2.7
177.09077	4.4
177.12686	3.1
186.10320	1.9
187.07516	2.1
187.11205	4.9
187.14790	17.3
189.05493	1.5
189.12747	2.2
189.16367	14.2
191.14275	2.5
201.05284	1.4
205.08592	4.3
205.15857	3.4
215.07082	2.2
215.10683	1.9
215.14366	6.5
215.17917	87.5
216.18230	2.2
233.04381	2.5
233.07986	10.6
233.11522	6.2
233.15372	18.7
233.18959	100.0
234.14986	1.9
234.19272	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02370	0.7
53.03942	2.9
54.02046	0.5
55.01841	0.8
55.05499	3.4
65.03851	0.5
67.05490	1.6
69.03428	5.0
69.07063	1.4
71.04964	0.9
79.05482	55.6
80.05808	0.6
80.54723	0.5
81.07043	3.6
83.04954	1.9
83.08609	6.1
85.06527	1.3
91.05462	3.8
93.07027	4.8
95.04963	5.2
95.08592	2.3
97.06538	0.8
98.20699	0.9
105.04488	0.8
105.06998	7.0
107.04939	60.0
107.08585	8.5
108.05244	0.7
109.06491	1.1
111.04406	0.6
111.08060	5.3
117.07018	1.1
119.08566	5.3
121.06458	2.6
121.10115	5.8
123.08034	1.2
123.11737	0.6
125.09616	3.2
129.07004	0.9
131.08537	4.8
133.06438	0.5
133.10106	6.2
135.08037	1.5
135.11707	0.8
142.07747	1.5
143.08510	0.8
145.06519	0.8
145.10117	3.0
147.07967	0.7
147.11676	9.0
149.09599	8.9
149.13222	3.2
150.10382	1.3
156.63731	0.5
157.10135	3.0
158.10870	1.3
159.08055	0.9
159.11584	0.6
160.08859	1.0
163.11116	0.6
171.11723	0.9
173.09569	0.9
173.13246	5.1
175.11179	10.0
177.08974	0.6
182.10878	0.9
187.14862	1.2
191.14279	69.3
192.14687	1.1
197.13223	1.2
215.14297	1.4
215.17928	0.7
229.33862	0.7
233.15329	100.0
234.15611	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.35517	0.7
53.03923	1.9
55.05499	2.5
57.07052	2.9
64.22260	0.8
65.03926	1.0
67.05498	8.4
69.03423	14.8
69.07047	2.2
70.76785	2.8
71.04967	1.8
77.03896	1.0
79.05478	17.7
80.05791	1.0
81.06601	1.2
81.07041	12.9
82.76790	0.7
83.04961	2.3
83.08590	2.7
85.06526	1.8
91.04922	1.4
91.05464	17.9
93.06503	1.0
93.07032	12.0
95.04949	32.2
95.08575	5.5
96.32958	0.8
97.06544	1.2
103.05436	1.5
105.07017	16.8
107.04934	12.3
107.08575	14.6
108.13822	0.9
109.02872	1.7
109.06496	7.0
109.10143	7.0
111.04443	1.1
111.08073	1.8
112.04709	0.7
114.09139	0.9
115.05419	2.1
116.06198	1.3
117.07011	6.6
119.08560	100.0
120.08872	2.0
121.06476	5.0
121.10117	8.6
123.08018	3.0
123.11666	3.4
125.09612	0.8
128.06145	1.7
129.06981	2.4
130.07764	2.0
131.08551	18.2
133.06479	7.1
133.10104	9.6
134.10896	1.7
135.08028	4.8
135.11674	0.9
137.09589	1.4
141.06871	1.5
142.07710	2.0
143.08556	3.9
144.09311	1.1
145.06433	3.6
145.10101	14.2
147.08028	2.9
147.11699	4.8
149.09589	9.5
149.13222	1.6
151.11151	1.1
155.08543	4.2
156.09331	4.2
157.10089	7.6
159.08028	7.0
159.11639	5.5
161.09618	1.2
161.13222	1.2
167.08524	3.1
169.10059	3.2
171.11682	6.1
172.05249	1.0
172.08818	1.1
172.12404	1.0
173.09648	5.3
173.13229	7.7
175.11153	3.3
177.09087	2.7
182.10893	6.2
185.09621	1.3
187.11131	2.4
187.14810	9.0
189.12715	7.9
191.14268	13.1
197.13214	9.3
200.11990	1.0
205.08611	1.3
205.12248	0.9
215.07076	1.0
215.14276	16.3
233.04407	1.6
233.08058	2.6
233.11615	2.1
233.15321	44.5
233.18889	1.9
233.22946	1.0
234.15491	1.4
251.05464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03936	2.4
55.05505	3.6
57.07059	2.1
67.01795	0.7
67.05482	2.8
69.03419	6.7
69.07050	1.2
70.41927	2.7
71.04957	1.1
73.73179	0.6
77.03900	1.2
79.05482	58.1
81.07048	3.5
83.04951	2.1
83.08594	6.2
85.02867	1.0
85.06512	3.0
91.05459	6.0
91.98404	0.7
93.07030	6.5
95.04947	6.7
95.08589	2.5
97.06490	2.2
99.08052	1.0
105.07026	11.6
107.04938	56.0
107.08578	10.7
109.06491	1.9
109.10111	1.1
111.04370	0.9
111.08061	5.3
113.05975	2.2
117.06999	3.5
119.08567	15.0
121.06481	2.5
121.10132	6.0
123.08032	2.4
123.11684	1.4
123.82119	0.6
125.09605	2.8
129.06940	2.1
130.07765	1.3
131.08546	12.3
133.06459	0.9
133.10106	10.6
135.08022	3.1
135.11630	1.0
137.09627	4.4
142.07745	1.5
143.08496	2.0
144.09338	0.7
145.06496	1.0
145.10095	14.5
146.10840	1.5
147.08031	14.2
147.11661	13.4
149.00166	0.6
149.09598	8.2
149.13226	3.5
155.08565	0.8
156.09349	1.5
157.10104	5.8
158.10846	2.8
159.08029	2.2
159.11673	1.6
160.08780	1.6
163.11113	3.4
169.10107	1.1
171.11653	1.8
172.12387	1.3
173.09599	1.6
173.13228	9.7
175.11162	18.8
182.10811	0.9
187.14796	2.2
189.12692	4.9
191.14281	65.5
192.14558	1.3
197.13190	2.4
215.14264	6.3
221.47974	0.8
231.00089	0.8
233.15326	100.0
234.15704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.17
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03927	0.5
55.05503	10.6
56.05019	0.8
56.96549	0.9
57.05806	1.2
57.07070	0.3
57.46609	0.2
59.06119	0.2
60.36771	0.2
67.05498	0.3
69.03391	0.3
69.07045	0.3
70.06577	0.7
71.38895	0.6
72.08142	100.0
73.08473	0.6
76.23846	0.3
79.05489	0.7
81.07054	0.6
84.04494	0.3
84.08130	0.7
86.09694	5.7
86.88622	0.2
86.99237	0.2
91.05437	1.2
93.07040	0.6
95.08597	0.6
96.47162	0.2
98.97587	0.6
98.98478	0.3
103.05408	0.3
105.07025	1.0
107.04981	0.3
107.08565	0.3
116.98574	0.5
117.07005	0.5
119.04926	0.3
119.08557	0.6
121.02875	0.8
128.06235	0.4
129.06985	0.9
129.10237	0.5
131.08568	0.8
132.10179	3.2
132.26958	0.2
142.07724	0.3
143.08569	1.1
145.10144	1.0
147.04340	0.3
157.10159	0.9
159.11664	0.6
161.09680	0.3
162.05576	0.3
170.10767	0.4
171.07942	0.3
175.03802	1.8
175.07532	0.4
183.01141	0.3
185.09656	0.3
185.13286	1.9
185.16504	0.8
189.09135	0.4
195.01289	0.5
195.11646	0.5
203.08263	0.4
213.06688	0.5
213.12808	0.6
231.02959	0.6
231.10065	1.9
231.13701	2.2
231.17003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Thr Leu
Peak:m/z	Relative Intensity
56.05027	17.0
56.96550	1.9
57.03424	3.6
58.06582	3.8
67.05503	0.6
69.07075	0.5
69.85827	0.9
69.86245	1.5
70.06578	0.6
72.08124	1.0
74.06067	100.0
75.04449	0.8
84.04497	4.7
84.08131	0.5
86.09694	24.2
87.05550	0.4
88.38055	0.4
98.97566	0.7
100.99152	0.5
101.07119	2.4
121.01683	0.8
125.17840	0.4
129.36415	0.4
132.10184	17.4
142.12233	0.8
143.11765	0.4
169.13374	1.6
187.14406	9.2
191.02280	1.3
208.99783	0.8
215.13922	3.0
233.14961	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	231.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.3
58.99870	1.2
61.02927	0.6
61.92647	0.6
68.98286	1.8
69.45249	0.6
70.06587	0.7
70.99838	1.4
71.12226	1.8
72.08126	1.2
73.01413	0.7
77.00885	1.0
82.99849	2.1
85.01392	4.3
86.99317	1.8
89.00869	0.7
91.02442	1.9
101.00865	18.8
103.00623	2.5
103.02438	21.0
105.00365	1.2
113.00821	0.9
115.02478	0.6
116.98550	0.9
117.03983	6.9
119.01907	77.4
120.02041	1.7
121.01658	7.8
121.02500	1.3
121.03461	13.9
126.04012	1.0
127.02398	3.0
129.00314	3.4
131.01901	5.8
133.03456	6.0
135.03189	1.1
135.05020	8.0
137.02934	22.2
139.02702	1.7
142.03453	2.7
143.01884	2.7
145.03445	42.5
146.03539	0.7
146.99606	1.5
147.01363	25.2
149.02954	2.7
151.04524	2.0
155.01848	1.1
157.03456	1.8
161.02943	19.0
163.04506	25.4
164.04642	1.0
165.01233	0.9
165.02443	8.3
168.04973	1.2
170.99838	1.3
171.01360	18.6
173.02959	3.7
177.05992	0.8
179.04016	5.5
183.03484	2.3
184.04604	1.0
185.02937	3.4
187.04492	3.1
189.02422	100.0
190.02573	1.9
191.03958	2.9
199.00804	0.9
201.02464	0.9
203.03993	1.1
205.05460	0.9
207.03490	22.5
207.05444	1.1
208.04514	1.1
212.03981	4.0
217.00096	1.3
217.01952	1.4
219.03584	0.6
231.03468	25.4
249.04495	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	231.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59336	0.6
55.01876	0.8
56.96552	8.1
57.07060	1.8
58.06594	1.0
58.99865	1.8
59.54057	0.7
61.02896	0.8
68.98278	1.6
70.06578	1.7
70.40382	0.7
70.40720	2.3
70.98103	0.6
71.01311	0.6
71.63037	0.6
72.08138	8.0
72.08510	1.0
73.06561	1.1
73.08462	0.9
77.00897	1.3
82.99367	0.6
82.99850	1.4
83.01530	0.6
84.08111	2.6
84.96015	1.5
85.01394	3.0
85.02859	0.7
85.06535	1.0
86.09685	2.6
86.99319	1.6
91.02424	1.6
98.20873	0.9
98.97554	4.8
101.00853	14.5
103.02424	20.4
103.05381	0.5
105.00317	1.2
112.11230	1.6
113.00858	0.8
116.07095	0.6
116.98579	2.7
117.03965	7.2
119.01899	81.4
120.02020	1.3
121.03465	13.9
125.84238	0.6
127.02393	2.0
129.00305	2.8
129.06985	0.9
131.00168	0.8
131.01869	4.5
133.03444	4.9
134.99622	2.6
135.05013	7.7
137.02937	24.7
142.03447	1.9
142.12228	6.1
143.00154	1.2
143.01866	1.7
143.08472	1.3
144.05034	0.7
145.03436	40.7
146.03627	1.0
147.01355	25.3
149.02901	2.2
151.04456	2.3
156.13805	2.2
157.10112	1.1
159.14964	0.9
161.01257	2.3
161.02924	15.8
162.03120	0.7
162.99117	0.7
163.04489	29.1
165.01021	1.1
165.02408	9.6
168.02626	0.7
168.05042	1.8
171.01355	14.0
172.01396	0.7
173.02931	1.6
175.03899	1.3
179.02493	0.9
179.03934	4.4
183.01277	1.2
183.03450	2.2
185.13202	1.1
187.04437	2.0
189.02402	100.0
190.02521	2.3
191.03987	1.7
203.03957	1.1
207.03448	22.2
212.04033	5.3
213.19519	1.8
214.11830	0.6
214.19839	1.2
230.22166	3.3
231.03458	25.2
231.10101	0.8
231.13802	1.0
231.22499	2.2
232.03639	1.0
249.04564	8.9
249.58401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.4
55.01868	1.2
55.05501	1.2
56.05023	0.4
56.96555	70.6
57.03425	1.5
57.07062	4.5
58.06592	3.9
58.99852	0.8
59.99936	0.9
60.08157	1.0
60.95835	0.9
61.02906	1.1
69.03407	0.7
70.02946	0.6
70.06580	8.0
70.19469	1.7
70.98111	1.9
71.01327	0.6
71.06908	3.3
71.95250	4.0
72.08142	25.7
72.96023	2.7
73.02901	0.7
73.06531	0.5
74.97602	1.2
75.09213	0.5
75.82076	0.4
77.00879	1.1
79.00632	0.6
82.99842	0.4
83.97628	1.3
84.01189	0.5
84.04485	1.5
84.08125	6.7
84.96026	2.7
85.02879	1.3
85.06538	3.6
86.06060	0.5
86.09691	11.3
88.99152	0.9
91.02439	1.1
92.00493	0.6
95.01869	0.5
97.99161	0.9
98.06054	0.9
98.97565	95.4
99.04443	0.9
100.02441	1.1
100.07595	1.0
101.00863	6.7
102.00938	6.6
102.02213	3.5
102.97064	0.6
103.00627	2.3
103.02441	2.0
110.97575	0.9
112.11229	3.7
114.05504	0.8
114.09157	1.2
115.00696	0.5
115.02405	0.7
116.00224	2.6
116.00910	0.4
116.07065	0.7
116.98599	100.0
117.04009	0.5
118.03506	1.0
119.01897	30.8
120.01984	37.0
120.03259	1.4
120.97969	0.6
121.01640	11.6
121.03436	0.7
124.95512	0.5
125.02678	1.0
126.02281	2.2
127.00736	0.7
127.03921	0.5
128.98590	1.9
129.10217	1.5
129.13895	0.8
130.05028	0.6
131.00172	1.1
131.01894	1.8
132.01973	0.7
133.01637	1.1
133.03436	3.4
134.01276	3.6
134.03528	2.5
134.99634	75.9
135.03157	1.3
136.00018	0.5
137.02936	8.7
138.03030	10.4
139.02638	3.8
140.00168	3.3
140.03770	2.1
142.01807	0.5
142.03491	1.8
142.05331	2.3
142.07660	0.5
142.08600	2.9
142.12245	26.7
142.96521	1.2
143.00183	1.1
143.01880	1.0
143.03584	1.6
143.08971	4.5
144.01686	0.9
144.03220	2.5
144.99811	1.7
145.01598	0.8
145.03429	2.8
145.99907	4.0
146.99573	5.6
147.01314	2.2
148.02893	0.5
149.01105	0.9
149.02917	2.3
151.04527	1.6
152.02290	0.6
152.04639	0.6
153.00677	11.7
153.02029	0.8
153.04057	0.6
156.13800	4.4
156.99091	0.5
157.03490	0.6
157.06244	0.5
158.01241	5.0
158.04851	5.8
158.06236	0.6
158.99593	0.5
159.05043	0.5
159.14929	3.0
160.02890	0.8
160.06429	7.8
160.97603	1.6
161.01167	2.3
161.02945	5.0
161.04361	0.5
161.04834	0.5
162.03046	1.7
162.04323	0.9
162.99152	0.8
163.02672	0.9
163.04547	2.5
164.01015	0.8
165.00717	1.9
165.02260	1.4
167.01981	0.6
168.99861	0.6
169.99945	3.8
170.01205	0.8
170.03218	0.4
170.04773	1.9
170.99738	1.1
171.01393	2.7
171.03288	1.5
171.52396	0.5
173.02936	1.0
173.99477	1.0
174.02724	1.0
174.99010	2.4
175.04330	0.4
176.02249	0.6
176.05910	3.3
177.00717	1.3
177.02425	1.4
178.02507	1.0
178.07512	2.7
179.02209	1.6
179.03964	0.8
180.02637	1.5
181.03482	1.1
184.04472	0.5
184.11983	0.8
185.02956	1.9
185.04660	0.7
187.00894	2.2
188.00981	11.4
188.04170	0.8
188.05894	6.0
188.97073	1.2
189.00656	4.8
189.02434	13.1
189.04314	17.2
190.98572	0.8
191.03983	1.3
192.00542	0.5
192.96434	0.6
193.00191	2.5
193.03601	0.7
195.94531	0.5
198.00771	5.5
198.99150	0.5
199.04474	2.9
202.05629	0.8
202.07495	1.2
202.98581	0.8
203.04041	1.0
203.05901	1.0
204.05214	0.7
206.02087	3.9
206.05087	1.0
206.06979	10.5
206.98070	1.2
207.01695	3.0
207.03482	2.9
207.05397	11.3
207.07108	0.4
211.02664	0.5
212.02264	0.6
212.04147	0.8
212.05891	2.5
212.07626	0.7
213.19572	11.3
215.00296	0.8
216.00253	8.2
217.00093	2.8
219.03638	0.5
220.08553	0.5
221.02344	0.5
222.06065	0.9
224.08037	15.3
225.02742	0.7
225.08463	0.7
229.08554	1.0
230.03223	1.4
230.06961	14.4
230.08733	0.6
230.15790	20.8
230.18382	1.0
230.22224	21.2
230.98267	0.7
231.03656	2.1
231.05215	2.3
231.07245	0.6
234.01805	0.8
247.09625	0.7
248.08031	30.0
248.99164	3.2
249.04459	1.2
249.06587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.92345	0.5
55.01849	0.7
56.96311	0.6
56.96560	7.7
58.06594	5.1
58.99849	1.0
59.07366	1.5
60.08155	7.8
63.96737	0.5
67.05499	0.5
68.05019	1.1
69.67597	0.8
69.68001	3.2
70.06580	41.4
72.08128	2.6
77.00882	1.2
84.04468	0.8
84.95181	0.5
86.09659	1.0
96.08098	1.2
98.06026	0.7
98.97574	8.5
101.00871	9.8
114.05513	5.2
114.09125	2.3
115.02403	0.9
116.07018	1.1
116.98608	7.0
119.01903	42.1
120.01990	2.2
124.07578	3.9
125.02560	0.5
125.52889	0.7
126.09100	1.0
126.98770	0.8
128.52600	0.5
129.45128	0.6
131.01886	2.1
133.03432	2.7
134.99634	3.9
137.02940	10.3
138.03047	0.7
142.03464	1.5
142.08614	34.2
142.12230	1.8
143.01889	0.5
143.08603	0.7
144.03246	0.7
144.99826	4.5
145.03436	1.1
147.01453	0.6
149.02902	0.7
151.04451	1.0
160.03018	0.5
160.04482	0.8
160.06567	0.8
161.02943	1.4
163.35152	0.6
168.09280	0.9
168.99792	3.3
170.08080	1.3
173.02815	0.7
174.04433	0.5
177.02336	1.8
183.11623	2.1
187.00867	10.7
187.02536	0.7
187.04659	0.7
187.11046	0.5
188.01022	0.6
188.05821	0.7
189.04370	1.3
196.99286	1.1
197.01003	1.3
201.12546	0.8
205.01881	4.2
205.03702	1.0
205.05672	1.0
206.07002	2.1
207.05453	0.9
209.31635	0.5
210.02475	0.6
215.00319	7.4
215.02171	0.9
219.03426	0.9
224.08038	2.3
229.15440	100.0
230.06966	1.3
230.15747	3.1
248.07999	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	229.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.0
55.05500	8.9
57.03164	0.9
57.03426	16.6
57.07054	1.9
57.92645	0.8
58.30417	0.8
59.04976	3.7
65.03924	2.4
67.05490	91.4
68.05807	1.0
69.03424	1.0
69.07035	3.9
70.06567	1.2
70.91779	0.9
71.04964	4.1
79.05463	3.7
81.03352	1.1
81.07036	14.6
83.08598	5.6
85.06516	2.4
91.05463	9.0
93.07038	6.6
95.04956	3.1
95.08595	6.1
97.02862	1.0
99.00809	1.0
100.06812	0.7
105.07008	4.9
107.08568	3.4
107.18717	0.8
109.10133	100.0
111.08052	2.5
112.31982	0.8
115.05405	1.5
117.06961	1.1
119.08565	9.7
122.65485	0.8
123.11653	3.2
123.47066	0.8
127.11166	7.9
128.06180	4.6
129.06990	4.5
131.08528	4.3
133.10103	1.9
137.09564	4.5
141.06937	3.1
142.07719	3.9
143.08531	10.0
144.09285	1.5
145.06488	2.4
145.10069	2.5
147.07980	1.1
150.34923	0.8
153.06995	5.1
155.08548	5.9
155.10645	4.7
157.10097	5.4
159.07997	3.7
159.11668	3.5
161.09596	1.5
167.08517	2.0
168.09309	10.9
169.10016	2.3
171.07965	1.0
173.05997	2.0
173.11716	18.9
173.13132	1.2
174.12117	1.0
177.77309	1.0
179.10591	2.7
183.11658	21.4
184.22670	0.9
185.13214	1.4
187.07520	1.3
187.11168	5.2
201.12669	5.2
211.11168	4.1
211.14774	1.3
214.15784	1.0
229.08548	3.4
229.12141	16.1
229.14305	22.2
229.23466	1.2
229.47151	0.8
230.19025	7.9
247.13252	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	229.143
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.71687	0.3
53.03943	0.6
55.01878	0.9
55.05500	10.8
57.03425	19.0
57.07066	1.5
59.04989	5.1
62.12697	0.3
65.03918	2.2
67.05491	100.0
68.05815	0.9
69.03423	1.0
69.07054	1.6
70.61107	1.1
71.04990	3.5
79.05478	2.8
81.03433	0.4
81.07039	13.9
83.08601	7.4
85.06533	3.3
91.05463	6.7
93.07036	4.1
95.04971	1.2
95.08593	5.9
99.00768	0.5
99.04427	0.5
99.08097	0.6
99.59683	0.4
103.05460	0.4
105.07043	3.1
107.08561	3.2
109.02894	0.3
109.06476	0.8
109.10133	82.1
110.10477	1.5
111.08076	3.5
111.76740	0.3
113.31039	0.4
114.88908	0.4
115.05428	0.8
116.52479	0.3
117.07021	1.2
119.08552	6.9
121.06487	0.6
123.11642	0.3
125.09676	0.6
127.11108	0.4
128.06192	3.2
129.07014	2.2
131.04898	0.4
131.08539	2.3
133.06512	0.4
133.10129	0.4
135.04439	0.5
137.05841	0.3
137.09573	4.0
141.06966	2.0
142.07735	1.9
143.08533	6.0
144.09286	0.5
145.06451	1.0
145.10097	1.6
147.11638	0.8
149.05959	0.8
153.06960	1.9
155.08536	3.4
155.10599	3.9
157.10092	1.9
159.08041	1.4
159.11642	2.1
167.08530	0.5
168.09299	5.8
169.10083	0.9
171.07999	0.7
173.05968	0.9
173.09512	0.8
173.11711	24.5
173.13086	1.0
174.12030	0.6
175.11171	0.5
181.10039	0.5
183.11662	12.9
185.13258	0.7
187.07549	1.1
187.11125	2.4
193.10031	0.7
201.09073	0.6
201.12706	3.2
211.11227	1.8
211.14824	0.6
213.05287	0.5
229.04964	0.5
229.08749	2.4
229.12149	9.1
229.14299	22.2
229.19380	0.9
229.23302	0.5
230.14803	0.5
230.19106	0.5
247.13344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03953	0.6
55.01857	0.6
55.05507	9.3
57.03428	18.3
57.07067	1.3
59.04996	5.3
65.03934	1.6
67.05495	100.0
68.05843	1.1
69.07040	2.6
70.27127	2.4
71.04992	3.5
79.05473	3.3
81.07043	15.8
83.08611	6.1
85.06525	2.7
87.04478	0.4
91.05470	7.1
93.07036	4.4
95.04972	1.3
95.08582	4.5
98.21494	0.5
98.97566	3.2
99.08085	0.5
105.07002	2.3
107.08585	3.5
109.10142	79.4
110.10444	0.6
111.08050	2.9
116.98593	1.5
117.06971	0.8
119.08567	7.3
121.10088	0.7
128.06206	1.9
129.06947	1.2
131.08539	1.6
133.10114	0.6
134.99692	0.7
136.50435	0.4
137.09593	3.9
141.06960	1.3
142.07753	1.3
143.08542	2.6
145.06476	1.0
145.10077	1.0
153.06946	1.2
155.08589	2.3
155.10640	3.7
157.10120	1.1
158.99602	1.5
159.08015	0.8
159.11679	1.2
168.09334	3.6
169.10057	0.4
173.01097	0.5
173.11722	20.5
173.13231	1.0
177.00648	1.5
182.44499	0.4
183.11662	6.2
187.11177	1.2
201.12701	1.5
211.11121	1.8
220.10283	0.7
226.92940	0.5
229.08638	1.1
229.12152	4.5
229.14272	22.2
229.19234	0.8
247.13258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83938	0.6
55.01867	1.1
55.05503	10.2
57.03423	20.1
57.07058	1.6
59.04981	5.2
65.03928	2.1
65.64507	0.6
67.05490	100.0
68.05835	1.0
69.07051	3.0
70.03761	2.1
70.04177	1.9
71.04978	3.2
79.05476	4.2
81.03399	1.1
81.07040	16.6
81.07432	0.6
83.08606	7.0
85.06533	1.7
86.51575	0.6
91.05460	9.2
93.07033	5.0
95.04964	0.8
95.08580	6.3
99.08064	0.6
105.07001	4.4
107.08591	2.7
109.10134	86.6
110.10491	1.2
111.08089	2.8
111.69628	0.7
117.07000	2.3
119.08551	7.6
128.06236	2.1
129.07008	2.1
131.08563	3.5
133.10121	1.6
137.09589	3.8
141.07002	1.6
142.07753	2.1
143.08536	4.2
144.09369	1.2
145.06509	1.8
145.10126	2.1
147.11697	1.2
153.07019	2.3
154.92618	0.7
155.08574	3.2
155.10640	5.3
157.10126	3.1
159.08083	1.6
159.11679	3.6
168.09352	5.9
173.05978	0.6
173.11714	26.8
173.13155	1.8
174.12029	0.8
183.11656	11.2
184.12067	0.7
185.13243	1.1
187.07512	1.1
187.11205	2.8
187.14827	1.1
188.42659	0.8
193.10081	1.0
198.27347	0.8
201.12776	2.2
211.11095	1.4
211.14677	0.8
229.08635	2.1
229.12230	6.8
229.14391	26.1
229.19365	8.0
247.13220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05503	0.2
56.96555	3.0
57.03425	0.8
58.06586	1.0
58.99851	1.7
60.08149	1.1
60.96440	0.2
61.02920	1.7
68.95109	0.2
68.98267	0.4
70.06578	5.8
70.40527	0.7
70.40928	0.5
70.98106	0.6
70.99847	1.4
71.01340	0.3
72.08134	0.6
73.02901	0.7
77.00887	1.1
82.99793	1.2
83.01521	0.3
84.04485	0.3
84.08124	0.5
84.96040	0.3
85.02890	0.4
86.09697	0.5
86.99308	0.4
88.99113	0.3
89.00863	0.8
91.02448	0.5
98.20747	0.2
98.21301	0.5
98.97560	2.0
100.02467	0.9
101.00861	25.6
101.02553	1.2
102.00939	0.6
103.02413	0.7
104.29591	0.2
107.01849	0.4
109.03489	0.3
110.97650	0.2
113.00868	0.6
114.05531	0.6
114.09177	0.4
115.02405	2.2
116.98607	1.7
118.01073	0.4
119.01898	100.0
120.01971	2.7
121.01587	0.5
121.02350	0.5
124.02438	0.8
124.07569	0.5
126.98740	2.0
127.03878	0.5
127.98866	0.3
128.02330	1.4
128.06215	0.3
128.98540	0.5
131.01880	2.4
132.00803	0.3
133.03447	9.4
134.03601	0.3
134.99631	1.1
135.01270	0.3
135.03093	0.4
136.42577	0.2
137.02928	23.8
138.03027	0.6
139.01534	0.3
139.03418	0.6
141.01324	0.7
142.03502	3.0
142.08600	4.1
143.01888	1.9
144.01680	0.3
144.03651	0.3
144.99800	9.2
145.03445	1.4
145.99942	0.9
146.03404	0.3
146.99580	1.1
147.01366	0.9
147.05052	0.5
148.02020	0.4
148.03831	0.4
149.02951	1.4
151.04497	2.2
157.02538	0.3
158.99702	0.3
159.01369	0.7
160.04475	0.4
161.02928	5.1
162.01744	0.5
163.00883	1.4
163.04469	0.8
165.00661	0.4
168.01723	0.6
168.09303	0.3
168.99800	11.1
169.01337	0.4
169.99974	0.5
172.99304	2.3
173.02975	1.1
173.99391	1.1
174.99133	0.4
175.00798	0.3
175.02695	0.3
175.04512	0.8
177.00851	0.5
177.02380	2.3
179.03979	1.0
183.11668	0.5
187.00858	26.6
188.01033	0.9
189.00760	0.3
189.02399	0.4
191.00362	1.3
191.03957	1.0
192.00450	0.9
196.00824	0.4
196.99274	2.8
197.01060	2.9
198.00757	0.5
201.02451	0.8
203.04007	0.3
205.00052	0.6
205.01918	6.8
206.02100	0.5
206.07030	0.4
207.01794	0.3
210.02426	1.0
215.00328	19.7
215.02065	1.1
216.00430	0.5
219.03516	0.9
225.99677	0.3
228.71867	0.3
229.01752	0.4
229.03641	0.8
229.15427	13.1
233.01385	1.1
238.01968	0.6
247.03110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61000	0.3
55.01869	0.7
55.05503	3.1
56.96547	0.8
57.03431	0.6
57.07056	0.6
58.06588	2.9
67.05488	0.8
69.03402	0.3
69.07059	2.4
70.06572	1.0
70.87856	1.0
71.01318	0.5
71.04961	0.4
71.08252	0.4
71.08622	7.5
72.08146	1.6
72.93759	0.4
73.02888	0.6
79.05470	0.7
81.07041	0.8
83.04976	0.4
83.08607	1.8
84.08128	1.7
85.02882	0.5
86.09693	0.6
90.95521	0.3
91.05462	0.4
93.07011	1.0
95.04932	1.0
95.08611	0.6
96.04488	0.4
97.02865	0.7
97.10133	1.4
98.09702	0.4
98.97556	0.6
99.08079	18.0
100.11264	0.4
103.03905	0.7
107.01798	0.3
107.08564	0.9
110.07095	0.6
111.11674	0.4
112.11224	3.5
113.06024	0.3
116.98608	0.5
119.08488	0.4
121.10117	0.5
128.10721	2.4
133.75227	0.3
137.06003	0.4
140.04626	0.4
143.08501	0.5
146.99654	0.6
149.09694	0.4
155.06946	0.3
156.01785	0.5
156.13812	100.0
157.14146	0.9
158.04453	0.8
167.07010	1.4
181.04985	1.0
199.07397	0.4
199.10974	0.4
227.07039	0.7
227.10211	1.4
227.21147	50.6
228.04834	0.6
228.21394	0.9
229.00114	0.4
244.97250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03931	3.3
55.01847	1.9
55.05502	16.0
57.03427	19.4
57.07071	6.9
59.05001	7.5
65.03915	1.7
67.05492	22.8
69.03422	22.7
69.07058	23.5
69.95065	8.2
71.04987	17.1
71.08649	1.4
75.04468	5.0
79.05484	13.2
81.03404	1.6
81.07043	36.4
83.04970	22.7
83.08599	13.0
85.06547	6.6
86.09694	1.9
91.05460	14.3
93.07028	26.2
95.04931	6.9
95.08589	26.9
97.02863	1.8
97.06518	9.1
97.10131	3.3
98.21426	2.3
99.08084	5.0
100.11243	4.5
103.05458	2.6
105.07019	19.4
107.04955	2.4
107.08576	93.6
109.06511	16.7
109.10143	68.8
111.08047	9.8
117.07024	2.1
119.06081	1.4
119.08552	9.3
121.06493	8.6
121.10126	70.7
122.07257	6.3
123.04431	1.6
123.08044	10.2
123.11681	11.5
125.05976	1.9
125.09605	18.5
129.06964	2.7
129.09100	4.3
131.08517	12.4
133.07521	1.7
133.10103	19.8
135.08044	17.2
135.11679	14.5
137.09595	43.5
137.13237	2.2
139.07500	1.5
139.11171	10.2
143.08611	2.6
143.10661	5.6
145.10123	8.2
147.11702	9.4
149.05972	2.3
149.09569	8.1
149.13223	32.3
151.11157	100.0
152.11433	1.6
153.09108	11.0
153.12758	4.6
155.06950	1.5
156.13777	6.5
158.10880	6.2
163.11086	1.4
163.13518	2.4
163.14795	33.5
165.12762	7.0
167.07034	15.1
167.14243	1.7
169.12212	33.1
171.11862	1.4
173.13235	37.2
174.89467	1.4
177.05489	3.3
181.04918	2.4
191.14278	76.7
192.14687	1.4
205.66690	1.3
209.15288	13.0
220.06525	1.7
227.06989	2.7
227.10764	2.0
227.16380	7.0
227.21143	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1636
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03934	2.9
55.01845	4.7
55.05502	18.4
57.03416	10.2
57.07051	6.2
59.04973	8.5
67.05484	15.5
69.03427	11.3
69.07063	22.4
69.77487	2.0
71.04985	26.9
71.08600	6.6
71.69914	2.0
72.08131	3.3
73.06518	2.5
75.04448	4.3
79.05485	16.5
81.03423	2.8
81.07037	26.3
83.04962	13.7
83.08611	16.0
84.08101	3.3
85.06532	12.7
86.09683	5.8
91.05463	15.0
93.07027	27.3
95.04948	64.1
95.08584	25.0
97.06512	18.9
97.10147	11.9
99.04443	22.8
99.08073	30.7
100.11233	29.8
103.05417	4.4
105.07013	25.0
107.04920	4.6
107.07906	3.8
107.08572	43.4
109.06497	19.7
109.10130	23.2
111.04406	4.0
111.08052	10.8
112.11221	4.9
113.09626	4.3
115.05383	5.1
115.07539	6.2
117.07001	2.8
119.08565	18.4
121.06456	6.4
121.10129	100.0
123.04403	4.3
123.08035	9.6
123.11689	8.0
125.09627	17.4
127.07528	8.8
129.06972	2.7
131.04947	2.8
131.08546	8.5
133.10109	33.5
135.08005	7.6
135.11652	13.7
137.09586	18.0
139.07497	2.0
139.11151	16.2
140.04587	2.9
141.11441	2.6
143.08505	4.8
143.10631	6.6
145.10129	4.8
146.66762	2.8
147.11635	15.8
149.05931	4.3
149.09511	5.2
149.13231	15.4
151.11153	29.6
152.15411	2.6
153.09097	25.9
155.06990	3.0
156.13828	44.6
158.10878	2.8
161.02879	2.9
163.11185	2.5
163.14793	13.0
165.12790	4.2
167.07005	32.3
169.12250	3.7
171.04358	19.6
171.10184	13.4
171.11511	4.0
173.13257	29.8
177.05470	7.3
181.04932	3.8
191.10588	2.8
191.14258	37.7
199.03859	4.3
209.07945	3.2
209.15224	14.8
227.03368	8.8
227.06985	6.3
227.12613	4.3
227.16248	46.0
227.21132	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03930	1.5
55.01863	2.3
55.05500	13.6
57.03426	18.2
57.07053	5.8
59.04985	10.4
65.03918	1.5
67.05493	28.9
69.03413	24.4
69.07052	20.0
70.26110	1.9
70.26534	2.4
71.04977	16.5
71.08611	1.2
73.06527	1.0
75.04468	6.7
79.05483	13.1
81.07045	34.3
83.04967	17.8
83.08608	12.8
85.06525	5.7
86.09696	1.6
91.05460	14.4
93.07028	24.5
95.04951	6.0
95.08591	28.3
97.06515	8.5
97.10164	4.0
99.08068	4.2
100.11244	3.3
103.05418	1.2
105.07013	24.7
105.07720	1.6
107.04930	2.1
107.08574	99.3
108.08859	1.2
109.06499	16.4
109.10136	70.9
110.10455	1.0
111.08056	12.7
111.11647	1.0
113.09636	1.2
117.07010	2.7
119.06055	1.5
119.08559	12.5
121.06530	6.1
121.10122	100.0
122.07250	5.9
123.08050	10.2
123.11689	13.4
125.09616	16.9
129.06999	1.7
129.09094	3.4
131.08539	12.9
133.10097	20.1
135.08028	18.2
135.11668	14.2
136.08823	1.0
137.09592	44.3
137.13239	2.9
139.07545	2.4
139.11156	13.2
143.08545	4.1
143.10666	3.8
145.10110	5.7
147.08028	1.3
147.11668	15.3
149.09576	13.2
149.13226	45.0
151.11153	98.0
152.11458	1.7
153.09058	6.3
153.12752	3.7
156.13846	3.4
158.10904	4.9
161.09497	1.1
163.14786	27.9
165.12730	5.9
167.07053	2.0
167.10513	1.3
167.14325	1.8
169.12227	11.7
173.13237	37.2
191.14270	69.6
192.14513	1.2
209.15288	15.0
227.10616	3.6
227.16281	5.7
227.21257	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
54.75646	1.8
55.01863	9.0
55.05502	65.2
57.03428	11.5
57.07063	4.4
65.03896	2.4
67.05493	79.2
69.03401	4.2
69.07056	29.3
71.04647	1.6
71.04975	14.2
71.08602	2.1
71.71375	3.2
73.52924	1.9
75.69767	1.9
77.29816	1.7
79.05030	2.6
79.05480	52.7
79.24661	1.9
81.03392	2.0
81.07045	100.0
81.45698	1.8
83.04974	8.7
83.08607	30.2
85.06508	6.3
91.05001	1.9
91.05467	22.9
93.07030	55.2
95.04928	5.3
95.08588	22.1
97.06510	10.0
97.10155	43.9
99.08036	4.8
100.11211	4.6
105.07016	10.3
107.04926	3.2
107.07923	2.5
107.08577	40.6
109.06509	2.9
109.10132	9.0
111.08045	9.1
112.11254	1.9
115.05448	1.9
117.06436	1.4
117.07011	15.4
119.08553	5.1
121.06476	1.8
121.10132	13.2
123.11623	3.6
125.09612	41.1
129.06982	2.3
131.08543	12.9
133.10097	10.8
135.08002	8.7
135.11673	15.8
143.08470	3.1
143.10605	2.3
143.47533	2.1
145.10042	2.0
149.13249	30.6
153.09077	4.3
156.13811	11.9
157.10043	6.0
158.38797	2.1
159.11671	18.5
167.06978	4.4
171.08176	2.0
171.10037	3.6
171.11609	3.7
177.12704	4.8
185.09492	2.1
189.11185	29.4
190.11429	2.1
195.13773	9.2
209.08156	2.0
209.16524	1.9
227.07007	4.6
227.10475	5.1
227.12695	79.6
227.17758	8.2
227.21104	7.6
228.13136	2.8
228.23245	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	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01854	5.0
55.05504	29.4
57.03423	14.4
57.07045	6.7
65.03949	2.3
67.05139	4.0
67.05495	73.4
69.03405	9.1
69.07057	28.8
71.01345	2.4
71.04988	14.0
71.08606	2.9
71.71616	2.8
73.02897	2.7
79.05479	41.7
81.03423	3.0
81.07044	100.0
83.04963	19.1
83.08607	25.8
85.06525	7.4
91.05452	20.3
93.06428	3.2
93.07033	63.6
95.04937	4.9
95.08588	28.9
97.06510	13.6
97.10139	10.8
99.08089	3.6
100.11211	6.9
105.07025	8.9
107.04949	2.1
107.08572	38.3
109.06446	3.9
109.10128	5.8
111.08070	8.7
117.06996	12.8
119.08562	5.1
121.10137	20.2
123.11652	2.2
125.09621	12.7
128.06241	2.8
129.07007	4.2
131.08577	14.8
133.10126	11.6
135.07990	4.1
135.11659	16.9
143.08482	6.0
145.10138	2.5
149.13235	44.9
156.13782	6.9
157.10120	4.7
159.11697	25.9
167.14359	3.1
171.08026	2.8
171.11702	5.7
173.09537	3.3
177.12703	9.2
185.13274	4.6
189.11185	8.5
190.22432	2.4
195.13834	12.5
227.07013	5.8
227.10629	3.6
227.12608	19.6
227.17981	12.2
227.21245	5.0
228.23122	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03941	3.7
55.01854	3.3
55.05504	24.5
57.03430	11.8
57.07051	2.8
58.22275	1.3
65.03928	3.2
67.05495	83.8
68.05795	1.6
69.03415	2.2
69.07058	25.7
69.92915	1.5
71.04987	13.5
71.08574	1.4
71.70293	1.9
79.05483	48.4
80.05804	4.8
81.03403	2.5
81.07046	100.0
82.07356	2.2
83.04960	11.0
83.08613	20.7
85.02913	2.4
85.06527	5.8
91.05470	26.2
93.07032	71.4
95.04964	9.5
95.08589	28.4
97.06527	13.2
97.10145	6.6
99.08070	6.4
100.11219	2.1
105.07011	8.5
107.04942	9.1
107.08586	35.8
108.05273	7.2
109.06531	2.7
109.10157	2.5
111.08060	6.8
114.35749	1.5
115.05444	1.5
117.07004	14.0
119.08549	2.5
120.05556	10.4
121.05910	5.8
121.10124	20.1
125.09625	4.2
131.08559	10.0
133.10109	11.0
135.08080	2.1
135.11688	18.3
143.08568	2.2
147.11703	2.1
149.13243	53.3
150.13541	1.7
156.13869	2.6
157.10126	2.1
159.11664	23.0
170.92908	1.4
171.11668	2.0
177.12730	10.5
184.06961	1.7
188.26839	1.6
189.11157	2.6
195.13843	11.9
227.06868	2.3
227.07619	2.1
227.10071	29.1
227.12737	6.7
227.17860	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03930	5.1
55.01864	2.6
55.05508	21.7
57.03426	12.6
61.13316	2.4
61.33696	2.4
64.33525	2.1
64.95502	1.9
66.40414	1.9
67.05141	3.7
67.05497	70.0
68.05851	2.0
69.07063	23.0
69.45676	19.1
69.46085	4.8
71.04980	10.3
73.02912	2.5
79.05482	39.6
81.07047	100.0
83.04966	9.9
83.08617	17.0
85.02892	3.5
85.06517	5.5
91.05463	21.3
93.06442	3.5
93.07034	66.7
95.04929	5.2
95.08605	25.9
97.06514	14.8
97.10165	5.1
98.20673	4.2
99.08084	2.6
103.78804	2.0
105.07014	7.7
107.08582	30.9
109.06505	3.3
109.10173	4.5
111.08065	8.3
113.09602	2.4
117.06997	8.5
119.08524	3.6
121.10138	15.1
123.11613	2.6
125.09615	4.2
131.08569	12.0
133.10124	9.6
135.11681	15.7
139.05443	2.0
143.08545	2.5
147.11668	2.4
149.13226	48.8
157.10114	3.9
159.11673	23.8
177.12758	9.5
185.13193	2.9
189.11264	3.2
195.13817	15.6
209.51260	2.0
227.12689	4.6
227.18080	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	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01851	4.9
55.05499	25.2
57.03431	12.4
57.07056	6.3
65.03925	2.9
67.05493	77.3
69.03423	4.0
69.07065	26.8
71.01341	2.9
71.04983	27.1
71.46948	4.1
79.05480	42.9
81.07043	100.0
83.04958	10.4
83.06514	2.5
83.08605	22.6
85.02895	14.4
85.06522	6.2
91.05463	27.9
93.07031	67.8
95.04963	8.8
95.08596	27.9
97.06519	19.1
97.10139	10.6
99.08040	4.3
100.11235	4.0
105.07012	8.1
107.08582	35.8
109.06501	4.1
109.10133	8.0
111.08044	9.1
117.07005	13.8
119.08562	6.4
121.10144	25.2
125.09602	8.3
129.06917	2.6
131.08525	13.9
133.10114	15.1
135.11662	21.7
147.11736	5.2
149.13240	57.6
154.08533	2.6
157.10159	4.4
159.11696	26.6
164.01556	2.8
177.12677	12.1
182.08165	3.1
189.11293	4.8
195.13832	12.6
227.10750	6.2
227.12566	12.3
227.17889	10.3
233.06677	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	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05499	47.6
57.03426	16.8
57.07059	5.1
65.75314	3.5
67.05489	83.7
69.03416	4.4
69.07056	34.6
71.04972	13.8
71.70289	4.6
79.05482	50.9
80.07143	3.6
81.07042	100.0
83.04968	13.4
83.08610	32.0
85.06518	5.5
91.05440	22.2
93.07028	69.7
95.04928	6.7
95.08575	26.0
97.06504	16.8
97.10139	34.4
99.08076	5.6
100.11229	8.6
105.07017	13.4
105.09296	3.9
107.04954	3.9
107.08572	41.5
109.06490	4.9
109.10126	7.7
109.13594	3.5
111.08048	10.1
117.06990	19.1
121.06489	5.1
121.10137	17.6
125.09601	30.9
129.06908	5.1
131.08534	15.3
133.10117	17.3
135.08038	5.0
135.11667	9.8
137.28947	3.7
141.06839	3.4
143.08546	8.4
146.56664	3.8
149.13228	42.9
156.13846	11.1
157.10089	5.0
159.11603	19.7
170.04585	4.0
171.11688	7.7
177.12714	11.7
181.10126	5.8
183.11656	4.2
189.11208	15.4
195.13821	9.1
227.06996	13.0
227.10500	10.2
227.12732	36.3
227.17790	18.7
227.21277	4.4
228.23138	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	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01852	7.2
55.05507	67.2
57.03428	12.0
57.07059	10.2
67.05501	82.7
69.03419	5.5
69.07060	46.3
71.04989	15.3
71.08641	5.3
71.70105	4.5
71.70523	4.8
79.05483	56.7
79.81460	4.0
80.05750	4.3
81.07045	100.0
81.33666	3.8
83.04980	14.2
83.08617	31.3
85.06524	8.7
91.05473	29.8
93.07030	55.8
95.04944	5.9
95.08598	31.2
97.02840	4.3
97.06529	15.0
97.10152	36.0
100.11276	22.6
105.07027	10.5
107.04889	5.6
107.08562	47.5
109.06506	9.4
109.10162	13.3
111.08107	5.8
115.99061	4.5
117.07004	16.3
119.08582	4.7
121.10138	17.5
125.09620	47.4
131.08563	16.7
133.10181	12.0
134.25189	4.9
135.08054	9.7
135.11703	12.9
143.08566	15.1
145.10130	8.7
149.13205	40.1
156.13852	10.5
157.10117	10.3
159.11702	25.5
163.11176	4.5
165.07043	5.2
171.10258	8.4
171.11722	14.1
177.12715	5.2
185.13193	5.8
189.11195	18.6
195.13808	5.2
215.49986	5.0
227.07028	13.8
227.10562	12.3
227.12622	70.4
227.17995	25.9
228.26807	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.18249	1.8
53.03929	2.6
55.01841	4.7
55.05502	57.1
57.03428	11.0
57.07054	2.6
57.62716	1.8
65.03908	3.2
67.05152	4.3
67.05495	83.3
69.03393	6.4
69.07053	29.8
69.94091	1.8
71.02556	4.7
71.02901	2.0
71.04958	9.3
71.08631	2.2
76.14261	2.2
79.05476	50.9
81.03383	3.2
81.07040	100.0
83.04959	11.3
83.08599	30.7
85.06508	8.0
86.35783	2.1
91.05460	24.3
93.07027	60.0
95.04943	6.1
95.08591	22.6
97.06513	11.4
97.10151	40.6
99.08031	5.6
100.11232	6.1
105.06979	6.7
107.08574	42.3
109.06425	3.9
109.10113	8.3
111.08055	10.0
117.07001	14.1
121.10132	15.5
123.11682	2.9
125.09614	41.4
129.06940	2.8
131.08511	12.5
133.10107	11.3
135.08000	8.3
135.11658	14.2
149.12097	3.4
149.13220	44.4
153.09117	2.4
156.13812	4.7
157.10143	4.3
159.11646	22.0
163.11098	2.3
171.10092	2.1
171.11551	2.4
173.03435	2.1
177.12697	11.5
181.10083	2.7
189.11153	20.0
195.13756	12.2
199.10999	2.8
227.06927	4.5
227.10536	3.1
227.12703	70.9
227.17717	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	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61122	0.9
53.03938	2.3
55.01854	2.8
55.05505	17.3
56.02636	2.2
57.03422	2.9
57.07058	1.1
62.21902	0.8
65.03909	1.7
66.17674	1.0
67.05495	47.2
69.03419	1.3
69.07057	10.1
69.48048	4.3
69.48476	4.6
71.04984	100.0
72.05336	0.9
79.05484	23.5
80.05057	0.8
81.03409	1.7
81.07044	58.3
83.04963	4.6
83.08605	9.3
85.06531	4.7
86.77247	1.1
91.05464	13.6
93.07034	33.5
95.04961	3.5
95.08595	20.3
95.09192	1.6
97.06510	8.7
97.10152	8.8
99.08021	1.6
100.11247	3.6
105.06988	5.2
107.04916	1.1
107.08585	18.9
109.10117	4.1
111.08057	6.4
113.05999	1.8
117.07011	9.6
119.08573	1.0
121.06495	2.2
121.10141	6.6
123.11685	1.1
125.09610	10.1
128.06171	0.9
129.06999	1.2
131.08563	7.7
133.10107	9.0
135.08040	2.6
135.11662	15.8
143.08563	1.6
145.10109	1.4
149.13237	17.2
151.11046	1.0
153.06923	0.9
156.13786	4.5
157.10068	1.5
159.11658	13.7
163.11156	1.6
167.07054	1.7
171.08005	1.4
171.11720	1.2
177.12723	4.2
189.11194	5.0
195.13786	4.9
209.15239	2.1
211.04414	1.0
215.05847	0.9
227.07053	2.3
227.10432	2.7
227.12596	11.8
227.17838	2.9
227.21155	2.5
228.23308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1272
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03919	2.1
55.01643	0.7
55.01864	9.1
55.05497	69.5
57.03423	7.1
57.03693	1.2
57.07055	1.7
59.04971	0.9
67.05489	33.8
69.03422	4.4
69.07042	9.6
71.08605	1.0
73.02865	0.8
79.05473	30.1
80.36510	0.7
81.03403	0.8
81.07037	24.3
83.04964	5.3
83.08600	26.4
85.06516	1.2
91.05463	4.2
93.07026	10.2
95.04973	0.8
95.08578	2.0
97.10146	61.1
100.11212	3.2
105.06979	2.1
106.63098	0.8
107.04955	1.2
107.08570	23.6
109.06510	1.1
109.10126	7.3
111.04386	1.0
111.08043	3.5
114.15003	0.7
115.05450	1.4
117.06953	4.5
125.09603	63.1
128.06190	1.6
129.06969	1.7
131.08467	1.0
133.10052	1.3
135.08009	7.0
135.11694	0.9
143.10631	2.4
145.10046	1.1
153.09033	3.5
156.13766	1.7
157.10098	1.2
167.07056	1.0
171.10089	4.3
171.11586	1.8
185.13152	0.8
189.11186	31.4
227.07005	1.9
227.12711	100.0
227.17647	3.4
228.13116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03935	5.3
55.01856	10.3
55.05499	35.4
57.03430	6.2
67.05495	37.0
69.07049	15.8
71.04949	5.5
71.43255	4.9
71.43593	7.0
79.05476	40.3
81.03405	7.3
81.07034	34.6
83.04966	7.6
83.08612	22.8
91.05459	13.4
93.07025	45.7
95.04948	13.4
95.08591	52.1
97.06548	4.0
97.10145	9.3
99.04440	7.0
100.11237	11.5
103.05490	5.2
105.06994	10.9
107.04948	11.1
107.08573	36.3
109.06547	4.7
109.10118	7.8
117.07009	11.9
119.08587	10.8
121.06505	7.5
121.10143	15.3
125.06049	7.0
125.09598	12.0
128.06177	4.6
130.07846	4.6
133.10164	4.3
135.08102	4.6
135.11673	52.3
137.05922	6.2
140.04813	5.1
143.08595	9.2
145.10109	29.8
156.13821	12.2
157.10114	5.4
163.11163	66.5
163.12445	5.0
167.06976	35.7
177.05446	9.9
181.12190	14.7
189.11186	9.0
225.87761	3.7
227.06970	6.2
227.10710	6.2
227.12700	100.0
227.17809	10.9
227.21156	6.1
228.17535	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	227.1274
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03935	2.8
55.01863	8.5
55.05502	35.9
57.03419	3.6
57.77959	1.5
67.05190	2.2
67.05493	26.3
69.03378	2.8
69.07053	8.9
70.83505	4.4
71.04965	2.3
79.05478	33.8
81.03369	2.2
81.07041	24.2
83.04961	5.9
83.08605	15.1
91.05459	9.1
93.07034	30.3
95.04911	4.5
95.08591	33.2
97.02860	1.8
97.10156	24.2
99.04426	4.3
105.07011	5.2
107.04921	10.6
107.08575	27.7
109.06491	3.7
109.10126	3.8
117.06974	6.8
119.08614	8.1
119.09285	2.1
121.06467	5.5
121.10114	7.9
125.05973	2.2
125.09606	20.6
135.08012	4.3
135.11679	37.9
136.11993	2.0
139.07524	1.6
143.08501	1.8
145.10101	20.6
149.26241	1.6
153.09007	2.0
160.98708	1.8
163.11159	48.4
171.10194	2.1
181.12210	10.8
189.11179	14.7
227.12735	100.0
227.17761	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	227.0909
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
51.02361	0.5
53.03930	1.8
55.01865	5.0
55.05503	3.4
56.96542	0.5
57.07043	0.7
59.27842	0.5
65.03928	8.3
67.05489	4.9
68.77533	0.5
69.03425	2.4
69.07056	2.6
70.06572	1.2
71.04978	0.6
71.08610	0.7
71.68865	0.6
71.69269	0.8
72.08131	1.1
73.02904	36.9
77.03886	0.6
79.05482	1.9
79.80665	0.5
81.03392	0.9
81.07036	1.5
82.04181	3.4
82.06538	0.5
83.06078	0.6
83.08603	1.9
84.08120	1.1
85.02901	4.9
85.06510	0.8
86.09689	1.6
91.03911	1.4
91.05473	2.8
93.03382	1.2
93.07017	2.0
95.04945	7.5
95.08566	1.1
97.02858	1.7
97.06528	3.4
97.10151	0.9
98.05991	0.5
99.04438	0.7
99.08049	2.0
100.10622	0.9
100.11242	13.9
103.05483	0.9
105.03345	2.5
105.04558	0.7
107.04943	1.8
107.08567	1.1
108.02065	1.4
109.06499	1.3
109.10144	0.5
110.03640	4.7
111.04393	1.9
112.11157	0.6
115.34740	0.5
117.06977	0.8
119.04948	0.6
121.06456	1.5
123.00761	0.6
123.04408	9.7
124.42159	0.5
125.02328	4.1
125.05950	2.7
125.09627	0.8
135.08008	0.6
138.03094	2.2
139.03906	0.7
140.04655	53.8
141.05034	0.5
141.06880	0.6
142.02518	3.1
149.05974	0.7
149.09529	0.6
153.05411	1.4
155.07004	61.0
156.07347	1.3
156.13808	7.8
167.06998	4.3
171.06537	7.1
171.07994	1.0
173.08078	4.9
179.06992	3.9
181.04922	100.0
182.05276	2.1
186.99095	0.7
187.70482	0.5
209.08047	20.5
209.16490	1.9
227.07027	1.0
227.09059	14.5
227.12627	0.9
227.17561	2.8
227.21101	4.2
228.09444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
53.03932	1.1
55.01863	5.5
55.05505	2.5
56.68827	0.5
56.96540	0.4
60.05724	0.6
65.03930	7.3
67.05486	3.2
69.03416	1.0
69.07047	2.5
70.06586	0.6
71.08613	0.6
71.70551	0.6
73.02905	40.0
77.03931	0.7
79.05467	2.1
81.07027	1.3
82.04174	2.0
83.08597	1.4
84.08125	1.0
85.02885	5.3
86.09686	1.3
91.03957	0.7
91.05458	1.6
93.03388	2.0
93.07027	1.6
95.04950	6.3
97.02888	1.3
97.06502	2.2
97.10120	0.6
98.70882	0.5
99.08043	0.9
100.11237	8.8
102.74120	0.5
103.05460	1.0
105.03379	1.7
107.04919	1.3
107.08523	0.5
108.02077	1.2
109.02802	0.5
109.06490	0.6
110.03644	5.0
111.04410	2.0
119.04932	0.5
121.06502	1.4
121.10107	0.5
123.04414	8.2
125.02306	3.2
125.05973	2.8
137.05927	0.6
138.03105	2.3
140.04662	51.0
141.05003	0.9
142.02544	3.2
149.05933	0.8
151.03860	0.5
153.05438	1.6
155.07001	55.6
156.07359	1.5
156.13802	4.1
166.06123	0.7
167.07045	2.6
171.06512	7.2
173.08034	5.1
179.06999	2.5
181.04929	100.0
182.05302	2.0
186.99260	0.5
209.08069	17.5
209.10054	1.1
209.16492	1.2
227.07092	0.9
227.09055	12.6
227.17455	2.3
227.21100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.20934	1.0
52.24944	0.9
55.05504	6.2
57.07066	7.3
59.04989	3.3
67.05500	5.0
69.03399	2.7
69.07055	6.8
71.01339	2.2
71.04980	40.3
71.26016	2.4
79.05484	6.6
81.03379	1.2
81.07036	10.0
83.04953	5.1
83.08615	8.0
85.02876	1.9
85.06535	1.6
86.33987	0.9
91.05450	4.1
93.07024	4.6
95.04942	1.5
95.08589	13.0
97.06517	17.1
99.04437	100.0
99.08083	1.6
105.07004	6.0
107.08573	37.4
109.06501	23.0
109.10145	2.6
111.08051	2.1
111.11701	3.5
113.09615	4.9
116.68302	1.0
119.08572	4.5
121.06499	1.7
121.10114	15.7
123.08052	18.4
123.11683	19.6
125.05976	1.5
125.09615	7.8
127.07523	1.3
131.08539	1.5
133.10176	1.0
135.11655	1.1
137.05939	1.4
137.09619	2.3
137.13264	3.6
139.11157	4.3
141.09093	2.6
141.12750	2.5
147.11650	6.9
149.09592	12.4
151.07553	2.3
151.11183	4.4
153.12730	1.3
156.13806	1.3
161.13280	2.0
163.11182	1.7
165.12718	11.3
167.10651	22.0
171.11725	1.2
179.14302	2.8
183.13783	37.4
189.12727	5.7
193.24561	1.0
207.13762	13.7
214.77661	0.9
225.14803	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01851	1.0
55.05503	6.5
57.03428	1.6
57.07061	1.6
59.04993	11.3
61.01677	1.0
64.04733	0.8
65.03915	1.0
67.05499	9.5
69.03419	12.6
69.07066	10.5
69.57354	7.4
79.05486	12.1
80.70418	0.9
81.07045	17.2
83.04963	9.9
83.08600	2.7
84.80912	0.8
85.06514	1.1
87.04459	13.2
91.05466	13.9
93.07030	44.0
95.04970	5.7
95.08597	17.5
97.06534	4.1
97.10135	1.4
101.05984	1.9
103.05476	1.1
105.07018	33.1
107.04920	1.1
107.08585	31.7
109.06507	11.2
109.10151	6.4
111.08083	6.2
113.05953	1.0
115.05415	1.0
115.07455	1.2
117.07015	4.9
119.04966	2.3
119.08569	20.8
121.06506	2.1
121.10129	7.6
121.36941	0.8
123.08059	14.0
123.11678	3.2
125.05935	1.1
125.09617	1.5
128.06187	1.6
129.06999	2.5
131.08562	4.1
133.06477	5.9
133.10133	9.0
135.07968	1.1
135.11670	1.2
137.05963	4.1
137.09628	2.4
139.11145	3.6
141.06902	1.5
141.09073	3.9
143.08554	4.8
145.10071	2.7
147.08028	6.2
147.11659	13.8
147.12732	1.3
149.09596	5.3
151.07574	4.3
151.11160	100.0
152.11491	1.0
156.09340	6.4
159.08083	1.4
159.11671	6.9
161.09624	5.6
161.13228	15.9
163.11208	1.4
165.09067	1.3
165.12724	1.8
171.11691	6.0
174.10405	2.4
177.12691	4.0
179.14319	3.4
189.12714	20.4
207.13780	97.4
208.14157	1.7
222.98576	0.9
225.14809	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03927	1.0
55.05495	3.1
57.03415	0.9
57.07048	0.8
59.04986	3.2
64.45406	0.6
67.05499	5.2
69.03416	5.5
69.07058	4.1
69.74158	0.6
70.94176	1.6
70.94527	1.2
71.04974	3.2
71.08606	1.1
79.05469	3.9
81.07042	8.9
83.04967	6.6
83.08572	1.4
85.02879	4.7
85.06529	1.5
87.04453	3.5
91.05458	4.3
93.07015	5.7
95.04940	2.9
95.08589	8.3
97.06506	3.1
99.04422	1.7
99.08067	1.9
101.06015	1.8
105.07018	13.1
107.08576	19.0
109.06503	9.5
109.10144	8.1
111.08067	1.7
119.04919	2.7
119.08572	7.9
121.06481	2.0
121.10128	12.5
122.07227	1.1
123.08048	16.9
123.11691	5.9
125.09615	0.9
127.07545	1.6
129.06953	1.3
131.08540	2.3
133.06499	3.3
133.10106	4.3
135.08029	1.9
135.11638	0.9
137.09602	9.0
137.13208	1.3
139.11194	1.0
141.09149	0.9
143.08574	3.4
145.10106	4.4
147.08020	2.5
147.11670	6.1
149.09592	12.9
151.07587	4.2
151.11154	100.0
152.11493	1.5
156.09348	4.6
156.13809	6.7
159.11658	1.1
161.09622	1.7
161.13228	8.5
163.11153	3.9
165.12752	2.9
167.10646	2.1
171.11659	10.6
174.10396	2.1
179.14253	2.7
179.52747	0.7
189.12726	24.2
207.13774	67.3
208.14169	1.3
225.14822	7.7
225.19580	1.3
232.10759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01864	1.7
55.05509	8.9
57.03423	1.6
57.07061	2.5
57.23374	1.5
59.04987	5.5
65.03919	1.3
67.05490	16.0
69.03421	24.6
69.07056	16.0
70.50877	4.3
71.04983	8.0
73.51260	1.4
75.07225	1.5
79.05474	8.3
81.07038	16.6
81.20174	1.2
83.04506	2.0
83.04964	25.4
83.08597	2.8
85.06516	1.9
87.04475	6.5
91.05474	11.6
92.78054	1.3
93.07040	12.2
95.04959	8.9
95.08590	20.8
97.06496	9.6
99.04448	1.7
99.08083	1.7
101.05991	18.0
105.07017	25.1
107.04962	3.3
107.08575	100.0
109.06487	16.8
109.10138	25.7
111.04380	2.0
111.08065	5.8
111.68343	1.5
117.07005	3.2
117.92121	1.2
119.04913	3.1
119.08562	21.2
121.06439	2.9
121.10120	23.9
122.07265	13.1
123.08053	28.7
123.11696	3.9
125.09615	1.8
127.07523	3.2
130.07738	1.6
131.08501	3.0
133.06487	4.5
133.10097	9.1
135.04362	1.3
135.08102	1.4
135.11653	8.1
137.06006	1.9
137.09596	57.5
137.13242	6.1
139.11130	2.0
140.26276	1.4
141.09048	3.3
143.08583	4.1
145.10120	15.3
147.08032	3.5
147.11697	8.7
149.09593	7.0
151.07532	4.1
151.11160	80.8
156.09343	4.3
159.08011	1.6
159.11633	2.1
160.08781	3.2
161.09599	2.6
161.13260	19.3
163.11162	34.5
163.14796	1.7
165.12738	4.9
167.10664	2.5
171.11684	10.2
174.10388	2.8
179.14252	11.4
189.12697	19.3
202.45966	1.4
207.13776	70.4
225.14796	11.0
226.43547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09879	0.6
70.86227	1.8
70.88555	0.6
78.63972	0.6
79.24257	0.6
81.07062	0.9
82.99841	0.9
95.08556	0.8
99.04416	1.0
101.00857	7.5
102.00970	0.9
105.03359	1.0
107.08578	0.9
116.98592	0.8
118.03471	1.1
119.01899	56.0
120.02017	2.3
125.02312	0.6
134.99832	4.3
137.02937	22.9
140.98763	0.7
142.03491	4.8
145.03448	0.6
146.02858	0.6
153.00917	2.4
157.03276	0.7
158.99864	3.7
159.06125	0.8
160.04527	2.8
161.02954	1.5
161.04573	0.8
175.02977	1.1
177.00920	100.0
178.01031	10.0
178.50439	0.7
179.00829	2.5
179.03995	2.5
182.99846	2.2
183.06033	0.9
184.04517	1.7
184.06140	0.6
193.04028	1.2
195.01961	1.5
200.02551	2.3
201.00818	4.0
201.02377	3.1
202.02438	1.1
202.05586	2.3
202.07350	1.1
202.09216	0.8
208.19597	0.8
217.04028	9.7
218.03743	1.1
219.01961	76.6
220.02054	19.3
220.04089	1.1
221.01826	2.5
225.00566	3.0
231.94876	0.7
242.03558	2.6
243.01849	12.8
244.01976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.9559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31163	3.1
55.01864	3.5
56.96553	8.3
57.03421	4.2
61.02908	17.0
69.03438	4.3
69.66745	26.8
73.02894	10.4
74.90027	3.0
85.02872	9.2
94.93005	100.0
97.02858	5.5
98.97550	5.0
101.00862	3.8
115.02403	3.5
119.01932	16.5
131.01891	11.1
133.03419	4.8
136.94017	13.4
137.02943	4.0
145.03436	5.9
146.99564	7.4
149.02917	5.0
155.01857	4.2
157.03467	3.9
161.02928	5.3
161.08247	4.2
170.01201	3.9
171.01402	6.1
173.02919	9.4
174.03113	3.4
179.02208	7.4
183.10814	3.2
185.03011	5.0
187.00951	4.5
192.55705	7.2
201.00806	4.7
201.02454	13.2
202.04033	4.2
210.41127	3.7
213.00890	3.4
221.05077	5.7
224.95622	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	224.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27489	1.5
55.01868	8.3
55.05494	5.6
56.05017	4.2
56.96558	100.0
57.03197	1.6
57.03426	17.8
57.07050	1.7
58.99846	6.6
60.04504	2.7
61.02663	1.9
61.02919	24.7
67.05498	2.6
68.05016	1.9
68.99767	5.0
69.03421	2.9
70.06579	4.0
70.97751	1.6
70.98114	23.5
70.99841	4.0
71.01324	4.1
71.06090	2.5
71.95225	3.0
72.08132	6.2
73.01398	1.5
73.02522	1.8
73.02906	25.6
74.06052	3.2
74.97583	4.4
75.04459	2.5
77.00883	8.0
79.05472	1.7
81.03387	2.3
81.07038	2.4
83.04949	2.9
83.06099	2.9
84.04482	5.3
84.08125	18.7
84.96024	7.2
84.99271	2.9
85.02895	13.1
85.06538	2.1
86.09676	6.3
87.00769	1.9
88.02592	1.6
88.03946	1.5
88.99144	15.2
89.00883	3.3
91.02441	12.2
95.01308	8.7
95.01869	2.8
95.04959	2.5
95.06075	6.3
95.52000	1.6
97.02836	2.8
97.99139	1.7
98.97583	8.4
99.04431	3.5
100.02470	7.2
100.07572	1.4
101.00874	8.7
101.01444	1.3
101.02430	1.8
102.02375	2.4
102.05534	1.8
103.01359	5.9
103.02425	4.9
105.02834	1.5
107.00153	6.0
107.01626	2.3
109.03497	7.9
109.95863	1.7
110.01472	1.6
110.02132	8.3
110.07126	2.5
110.52155	1.9
111.00177	1.8
112.01933	2.0
112.07545	2.1
112.08710	2.6
113.00854	3.7
115.02415	4.6
116.00086	1.4
116.02111	3.2
116.98605	10.3
117.01852	5.2
117.02917	4.7
118.01028	1.5
118.01873	2.5
118.03511	8.0
119.01886	43.3
119.02672	17.2
119.03481	1.8
119.52714	2.7
120.01954	2.9
121.01665	3.3
121.03485	2.5
122.02094	3.2
124.01879	4.2
125.02642	43.0
125.52720	8.2
126.03438	4.2
127.01537	3.8
127.03899	6.6
127.52857	1.7
128.98605	2.3
129.01863	3.2
129.02812	2.8
129.10175	8.3
130.01807	3.0
131.01862	24.2
131.02672	3.0
132.01941	4.0
132.03444	2.5
133.01588	3.0
133.03448	13.4
134.03403	1.3
134.99640	8.4
135.05008	2.4
136.01880	2.6
136.07558	1.9
136.53409	5.5
137.02925	20.4
138.03377	2.6
139.02362	5.8
141.00491	1.4
142.03459	8.9
143.00140	1.9
143.02661	2.8
144.01694	3.0
144.03349	2.6
144.05090	2.0
144.99805	3.6
145.02354	5.8
145.03464	6.3
145.52483	1.4
145.99911	4.6
146.01265	2.3
146.03171	2.4
146.99571	5.4
147.01343	5.0
147.04973	5.2
148.02928	7.2
149.02908	13.7
150.02994	2.7
150.99141	1.9
151.02412	4.5
151.04512	6.5
152.01363	4.1
152.03181	7.2
152.05656	2.5
153.00375	2.3
153.02159	3.6
154.03430	6.8
155.01805	2.7
155.03728	2.2
156.01787	3.5
156.04935	2.1
157.01633	2.1
157.03528	3.6
158.01271	2.7
158.03119	3.5
158.97234	1.7
158.99751	1.7
159.01210	7.9
159.53781	1.7
160.02846	4.1
160.04501	5.3
161.01146	2.1
161.01724	2.2
161.02950	14.2
162.03006	2.7
162.99124	3.1
163.04535	2.9
164.07030	2.4
165.02124	2.8
165.06071	4.9
166.03000	3.3
167.03954	2.5
168.99931	2.2
169.01584	4.0
169.03427	1.5
170.01208	1.5
170.06549	2.7
171.01369	23.6
172.04300	1.5
172.97585	5.7
173.01628	3.0
173.02998	5.4
174.02643	3.4
175.00877	10.4
175.02623	7.2
175.04439	3.1
176.00922	2.0
176.98370	2.0
177.00887	10.6
177.02428	23.2
178.02580	9.4
178.08566	2.6
179.02132	1.7
179.03862	3.0
180.02568	3.2
182.02415	7.2
182.52284	3.0
182.99626	3.8
183.01413	6.6
183.02991	2.5
183.06105	2.6
184.04521	4.5
185.02925	1.9
187.00867	19.4
187.03882	3.1
188.02350	2.2
188.07648	2.9
189.00861	1.8
189.02354	9.1
190.98592	35.0
191.02333	2.1
191.04012	22.8
192.04259	1.8
193.01927	4.8
193.03806	6.3
195.03453	11.1
195.53288	2.0
196.03766	2.2
196.06190	1.8
197.02899	5.5
199.00902	2.1
200.04059	2.4
201.00668	12.1
201.02422	57.5
201.04214	8.9
202.02495	2.5
202.05525	1.9
203.02246	2.7
204.03683	1.6
205.01967	2.8
205.03719	2.0
205.05582	4.1
206.12802	2.6
207.03484	3.5
208.99715	11.8
209.05077	3.6
214.00281	1.6
214.05594	1.9
215.04012	2.0
217.00000	1.7
217.01964	4.4
218.98090	23.8
219.01772	21.2
219.03532	23.6
224.04022	18.5
224.09256	2.4
224.17484	2.2
226.04312	3.9
228.03673	2.0
231.03452	4.1
233.04904	3.2
236.99165	13.7
241.02000	3.5
241.99742	2.1
242.05153	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	223.1687
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03921	2.6
53.72864	0.8
55.01857	1.4
55.05508	7.9
57.03431	0.8
57.07054	1.2
59.04987	1.4
65.03922	2.4
67.05493	63.9
69.07043	6.7
73.06538	1.6
79.05480	27.1
81.03437	0.9
81.07042	100.0
83.04947	2.6
83.08600	5.2
85.06538	4.1
89.58785	0.8
91.05459	12.8
93.06426	1.3
93.07026	31.8
95.04953	6.3
95.08588	94.9
97.06532	4.5
97.10160	1.0
99.08051	2.5
105.07005	9.4
107.08574	37.5
109.06516	3.8
109.10138	16.1
111.08047	2.2
112.04995	0.9
115.07574	1.1
117.07015	5.8
119.08549	5.8
121.06501	1.8
121.10126	9.2
123.08050	1.9
125.09584	2.4
128.81609	0.8
131.08540	24.8
133.10075	2.2
135.07999	4.2
135.11636	1.8
141.09055	1.4
145.10086	9.1
147.11685	9.4
149.02304	5.1
149.09592	3.6
149.13225	24.6
163.11148	1.8
163.14795	11.3
167.07088	0.8
173.13225	37.7
181.10065	1.1
191.14259	20.9
193.10086	1.6
205.12082	1.1
208.12463	1.1
223.05894	2.3
223.11168	1.5
223.13112	2.2
223.14764	2.6
223.16748	8.3
223.20406	1.4
225.04286	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	223.1688
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03936	1.4
55.01860	1.4
55.05493	6.5
56.96558	2.1
57.07062	1.0
61.21940	0.4
65.03927	2.6
67.05492	47.9
69.03429	0.6
69.07057	6.9
70.20662	2.4
71.04982	1.8
71.71682	0.5
79.05479	19.3
81.03403	1.5
81.07043	100.0
82.07359	1.2
83.04967	2.6
83.08587	2.6
85.02892	0.9
85.06525	1.9
91.05464	5.3
93.07031	16.4
95.04957	9.4
95.08588	86.0
96.08942	1.2
97.06523	1.7
97.10165	0.7
105.07017	3.7
107.04958	0.8
107.08571	13.3
109.06499	2.3
109.10136	24.4
111.08071	1.2
117.07012	1.5
119.08551	3.9
121.02846	0.8
121.06485	1.9
121.10114	10.7
123.08043	3.5
123.11715	3.6
127.07535	0.7
131.08543	5.6
133.10083	1.9
135.08029	2.2
135.11674	3.1
137.09547	1.0
141.09084	0.6
145.10078	6.4
147.11662	1.0
149.02286	3.8
149.09607	3.9
149.13257	0.9
153.09090	1.1
159.11644	2.0
161.13217	2.0
163.11162	3.5
163.14789	6.8
167.10646	1.6
175.51871	0.5
177.12666	0.9
177.16356	0.9
179.08562	0.7
181.10057	0.7
187.14787	7.9
193.10068	0.6
205.15840	4.8
208.12349	0.9
223.05998	2.2
223.13153	1.7
223.14914	1.0
223.16855	14.1
225.04216	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	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03928	7.2
54.59051	3.1
55.01847	6.5
55.05502	13.6
56.96550	7.5
57.03416	4.3
57.07053	9.4
59.04983	7.6
66.52337	2.5
67.05499	22.5
69.03413	21.3
69.07047	12.0
69.41628	4.1
69.42034	27.6
70.06573	4.1
71.04980	6.5
72.08136	4.9
79.05490	23.9
81.03403	5.5
81.07034	12.0
83.04967	24.0
83.08592	7.4
84.08117	6.8
85.02881	10.0
85.06532	5.6
86.09686	2.9
86.41050	2.8
91.05467	47.5
93.03348	3.3
93.07030	100.0
95.04948	35.9
95.06030	2.9
95.08585	19.1
97.02876	4.5
97.06501	8.3
98.97556	4.9
99.04446	4.2
101.05975	3.7
103.05435	8.5
105.03370	5.0
105.07011	28.9
107.04917	11.8
107.08575	43.4
108.04448	3.9
109.02859	4.6
109.06516	15.2
109.10113	7.7
111.08047	8.1
113.05982	6.5
117.06989	17.2
119.04893	3.1
119.08576	26.0
120.08089	3.9
121.02895	14.1
121.06486	95.1
121.10114	35.8
123.08037	11.2
125.05966	3.7
125.09596	9.5
127.07522	6.8
129.06969	10.0
130.07744	3.4
131.04849	3.9
131.08543	19.4
133.10118	15.1
135.08057	15.3
135.11668	16.3
137.09589	13.2
139.03917	4.2
139.07535	14.8
142.07805	5.8
144.09306	5.2
145.06491	7.2
145.10110	13.8
147.08029	12.7
149.02335	37.1
149.05934	8.6
149.09590	80.1
153.09116	15.2
157.10101	11.1
159.08032	4.9
159.11661	32.2
161.09549	9.2
163.03815	5.1
163.07492	8.7
163.11147	23.1
165.09064	6.4
167.03380	3.6
167.06934	5.4
169.10092	2.9
172.08813	8.2
175.11182	32.9
177.09079	7.3
177.12706	24.0
179.10637	8.7
181.08545	3.1
187.11153	28.9
193.12288	7.3
195.02844	4.8
195.04628	3.1
205.08592	5.7
205.12193	42.5
207.03026	3.6
223.04160	4.3
223.05980	18.3
223.09555	6.6
223.11519	5.1
223.13283	69.2
223.16844	11.4
223.20453	3.4
225.04263	48.4
226.04306	3.4
227.02217	17.4
233.70584	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	223.1324
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
51.29237	0.7
52.59236	0.6
53.03928	2.9
54.82856	0.7
55.01854	3.0
55.05502	4.6
56.54422	0.8
57.07053	0.9
59.04972	2.3
65.03915	2.6
67.05492	8.2
69.03419	21.7
69.07038	3.7
70.11308	2.7
71.04975	1.6
73.11514	0.8
77.03914	0.8
79.05064	1.0
79.05480	6.8
81.03399	5.5
81.07041	11.3
83.04971	10.4
83.08614	1.3
85.02894	2.0
87.04452	27.6
87.61588	0.7
88.37208	0.8
91.05462	18.9
93.06425	1.0
93.07024	19.2
93.07588	1.5
95.04953	7.0
95.08570	4.9
97.06494	2.7
101.02336	2.6
101.05945	0.9
103.05418	1.8
105.07001	8.5
107.04935	2.8
107.08555	9.3
109.06495	51.1
109.10126	8.4
110.07249	2.1
111.04414	2.3
111.08065	5.0
115.05403	1.1
117.06985	3.2
118.86115	0.8
119.06064	3.9
119.08556	11.1
121.06485	50.0
121.10117	10.4
121.65603	0.7
122.07271	10.7
123.04414	0.8
123.08026	4.8
123.11662	0.8
125.05973	3.2
125.09597	1.4
129.07036	1.5
131.08545	2.0
133.10138	4.1
133.10995	0.7
135.08060	5.3
135.11665	4.3
137.09589	100.0
138.09955	1.4
139.03908	1.8
139.07536	3.5
139.11148	1.5
142.07767	0.9
143.08565	0.7
144.09317	2.1
145.06532	0.9
145.10123	5.0
147.08029	3.8
147.09013	0.7
147.11682	1.5
149.02364	1.9
149.05933	8.7
149.09552	7.3
153.05437	0.7
153.09045	0.9
157.10156	0.9
159.08029	0.9
159.11693	6.7
161.09607	1.3
163.07510	2.8
163.11160	11.3
165.09094	5.5
165.12747	0.8
167.06984	2.4
172.08699	1.5
175.11115	4.4
177.12717	8.4
181.12233	1.4
187.11113	2.7
193.12175	0.9
205.12183	8.1
223.06046	1.6
223.11110	1.0
223.13235	13.0
223.16873	1.1
225.04292	2.4
227.02173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03912	1.2
53.59113	0.6
55.01838	1.5
55.05466	2.5
57.03397	0.6
57.07044	1.2
59.04959	1.9
60.14252	0.6
65.03911	0.8
67.05494	4.9
68.99772	0.7
69.03426	9.5
69.07019	2.7
69.82800	3.9
71.04955	1.1
75.57994	0.7
79.05486	4.8
81.03391	1.3
81.07052	3.2
83.04967	9.3
83.08578	1.1
85.02863	0.9
85.06484	2.2
86.97760	0.6
88.11626	0.6
91.05447	4.6
93.07029	16.3
95.04965	5.1
95.08585	3.8
97.06510	5.1
103.05408	1.5
105.07002	7.8
107.04904	1.5
107.08578	12.1
109.06493	6.7
109.10107	1.8
111.04411	0.8
111.08088	5.4
113.05990	8.0
117.06992	3.0
119.08551	6.2
120.08089	1.2
121.02798	1.0
121.06487	26.7
121.10128	26.6
122.07291	0.9
123.08043	7.8
125.05917	2.0
125.09604	1.2
127.07540	0.8
129.06944	1.1
130.07744	1.3
131.08527	5.4
133.10088	4.9
134.01833	0.9
135.04385	5.4
135.07050	0.9
135.08035	12.4
135.11676	7.2
137.09596	5.3
139.03882	1.6
139.07520	16.2
143.08534	1.1
144.09305	2.7
145.06442	1.8
145.10080	5.0
146.07286	1.3
147.07996	5.3
149.02332	2.9
149.05940	6.4
149.09601	33.9
149.13206	2.0
151.11140	2.9
154.07713	0.9
158.07288	1.5
159.08058	2.3
159.11685	11.1
161.09607	10.4
162.01282	1.4
162.10263	0.9
163.07503	3.5
163.11174	9.4
165.09113	3.9
167.03204	0.7
167.07019	7.8
169.09987	1.0
172.08798	6.9
175.11211	3.1
177.12732	18.6
179.10675	1.2
181.12321	1.1
187.11160	15.8
205.12215	100.0
206.12573	2.3
223.04219	1.9
223.06116	1.5
223.13272	53.8
224.13638	1.1
225.04254	2.7
227.02235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1324
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03928	0.7
55.01862	1.5
55.05502	6.4
56.96547	0.3
57.03410	0.4
62.20639	0.2
65.03915	0.8
66.04681	0.5
67.05492	5.1
69.03412	0.4
69.07053	5.0
71.04964	0.6
79.05479	3.4
81.03404	11.0
81.06613	0.2
81.07050	4.0
82.03716	0.2
83.04963	0.7
83.08611	2.8
85.06515	0.7
87.08073	0.3
91.05460	2.2
93.03371	0.3
93.07030	2.2
94.04168	4.2
95.04949	11.6
95.08585	2.0
97.02841	0.2
97.06538	0.4
103.05405	0.2
105.07009	1.2
107.04929	5.2
107.08567	1.1
109.06470	1.2
109.10153	0.4
111.08081	0.3
117.06999	0.9
119.08542	0.9
121.06489	0.6
121.10103	0.4
123.08032	0.5
129.06993	0.2
131.08536	0.9
133.10121	0.3
135.08015	0.3
135.11693	0.3
143.08475	0.4
145.10127	0.6
147.08025	0.2
149.02312	0.6
163.11191	0.4
205.12152	1.2
223.13251	100.0
224.13597	2.4
225.04440	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	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.01580	0.2
52.03150	0.2
53.00264	0.1
53.03925	0.4
55.01860	1.2
55.05500	4.0
55.51410	0.1
56.23418	0.1
56.96552	0.2
57.03426	0.3
57.07051	0.2
60.65966	0.1
63.67042	0.1
65.03931	1.3
67.05493	7.5
69.03412	0.6
69.06685	0.3
69.07055	4.4
71.04980	1.3
71.71484	0.2
79.05476	5.4
81.03403	2.8
81.07041	10.9
83.04961	1.6
83.08603	1.8
85.02886	2.5
85.06541	0.7
87.04457	0.2
87.08086	0.3
91.05463	4.3
93.07030	5.0
95.04951	100.0
95.08587	6.5
96.05274	1.1
96.08922	0.2
96.40708	0.1
97.06508	1.2
98.98496	0.1
99.04459	0.2
99.08063	0.3
103.05466	0.3
105.07006	3.1
107.04933	1.1
107.08023	0.1
107.08575	3.0
109.06501	3.0
109.10110	0.6
110.82794	0.1
111.04441	0.3
111.08092	0.3
114.48025	0.1
115.05434	0.2
117.06998	2.3
119.08551	3.4
121.06487	2.4
121.10121	2.0
123.08055	3.0
128.06189	0.4
129.07013	0.7
130.07785	0.2
131.08543	1.6
133.10097	0.7
135.08038	1.4
135.11667	2.7
139.07513	0.1
141.06972	0.5
141.09108	0.2
143.08551	0.6
144.09309	0.2
145.06479	0.4
145.10098	5.8
146.10510	0.2
147.08022	2.7
147.11688	0.2
149.02328	0.4
149.09619	0.4
149.13245	0.9
154.07739	0.3
159.08041	0.3
159.11647	1.7
161.09570	1.0
162.10362	0.2
163.11154	12.9
164.11548	0.2
165.09073	0.2
169.10097	0.8
173.13179	1.0
177.12732	1.3
182.09593	0.3
187.11179	1.9
187.12729	0.2
191.10057	1.3
191.14330	0.3
200.10674	0.4
202.60976	0.3
205.12221	1.7
208.12480	0.2
223.06075	0.4
223.11084	0.2
223.13219	3.4
223.16864	0.3
225.04320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03929	0.7
53.04148	0.2
55.01862	1.2
55.05502	3.7
65.03929	1.1
66.52434	0.2
67.05495	5.6
69.03407	0.4
69.06731	0.3
69.07058	2.8
71.04981	1.3
79.05478	4.8
81.03403	2.7
81.07045	8.5
83.04980	1.5
83.08620	1.7
84.91723	0.2
85.02892	2.2
85.06531	0.5
87.08115	0.3
91.05469	4.0
93.07026	4.0
95.04954	100.0
95.08585	4.4
96.05291	1.2
97.06531	0.9
98.20733	0.4
99.08060	0.3
105.07020	2.6
107.04942	1.1
107.08581	2.2
109.06499	3.1
111.04419	0.3
111.08046	0.3
113.98825	0.2
117.07000	2.5
119.08564	3.0
120.93436	0.2
121.06480	2.6
121.10113	1.8
123.08048	2.8
125.05993	0.3
128.06219	0.3
129.06989	0.7
130.07785	0.4
131.08522	1.3
133.06520	0.2
133.10117	0.5
135.08043	1.2
135.11681	2.7
139.91714	0.2
141.06972	0.6
141.09041	0.2
143.08586	0.6
145.06421	0.2
145.10110	5.6
146.10387	0.2
147.08029	3.4
149.02324	0.6
154.07764	0.2
159.11696	1.8
161.09598	1.3
163.11162	13.0
164.11511	0.3
165.09013	0.2
169.10158	0.7
177.12679	1.5
187.11180	1.8
205.12184	1.9
220.72649	0.2
223.06003	0.3
223.11130	0.2
223.13242	4.1
223.16801	0.3
225.04260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
52.47559	1.3
53.03933	2.5
55.01855	3.6
55.05500	14.1
55.40295	1.6
56.96539	4.3
57.07047	2.2
57.65190	1.4
58.59272	1.6
59.04971	5.2
64.45755	1.3
65.03915	3.6
66.68227	1.5
67.05505	15.5
69.03417	21.8
69.07041	3.6
70.82896	3.5
71.08610	7.1
75.33180	1.3
79.05466	5.6
81.07042	12.5
83.04964	62.1
83.08582	1.8
85.02872	2.5
87.04453	22.6
91.05470	25.9
93.07027	45.7
94.04136	1.5
95.04949	12.1
95.08587	23.3
97.06506	5.4
98.97552	5.6
99.08052	5.6
101.05973	2.3
105.07025	12.5
107.04906	4.0
107.08572	13.4
109.06493	49.7
109.10134	11.1
111.04428	4.1
111.08061	51.1
116.98592	1.7
117.06963	3.6
119.06054	2.9
119.08565	17.8
121.06482	62.0
121.10110	13.5
122.07274	8.6
123.08028	6.0
125.05946	3.2
125.09582	1.5
125.37184	1.7
128.17154	1.5
131.00044	1.6
131.04881	1.4
131.08525	4.5
133.10086	3.7
135.08015	10.5
135.11674	12.6
136.09370	1.6
137.09589	100.0
138.09918	2.0
139.03874	2.4
139.07512	19.3
144.09305	4.3
145.10095	6.9
147.07962	8.2
149.01294	2.7
149.02312	3.6
149.05931	6.5
149.09561	8.4
149.13239	2.3
153.12679	1.5
157.10063	1.7
159.08047	1.4
159.11664	21.8
161.13220	4.5
162.01222	2.2
163.02478	2.5
163.07503	2.7
163.11148	11.6
165.09094	20.3
168.97987	1.7
172.03012	3.9
172.08792	5.6
174.53362	1.9
175.11143	1.8
177.12746	16.5
181.12206	14.6
186.99113	5.5
187.11121	20.9
195.13759	4.5
205.12196	32.7
212.06207	4.4
219.01665	2.0
223.04219	4.4
223.13237	79.5
223.16745	2.5
224.13596	2.5
225.04274	4.3
227.02193	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	223.1325
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
51.57811	1.6
51.94309	1.6
53.03934	4.0
55.01843	3.3
55.05494	3.7
58.62589	1.5
59.04967	2.2
62.81562	1.7
63.38807	1.6
65.03911	1.9
67.05483	7.2
69.03419	13.4
69.07055	2.8
71.14355	5.2
77.28920	1.7
79.05482	7.3
81.03406	4.0
81.07036	10.6
83.04960	10.7
83.33982	1.8
85.02898	2.0
87.04451	31.2
91.05470	21.1
92.34114	1.6
93.07037	20.3
95.04954	9.1
95.08612	4.2
97.06518	2.2
101.02361	2.3
105.07012	8.4
107.04919	2.9
107.08543	8.5
109.06500	50.5
109.10141	8.1
111.04482	2.1
111.08079	4.0
117.07004	3.7
119.06023	2.5
119.08535	12.2
121.06489	53.7
121.10128	7.4
122.07300	8.9
123.08064	4.8
125.05946	2.6
133.10060	2.3
135.08041	6.1
135.11697	4.2
137.09593	100.0
139.03889	2.5
139.07539	2.0
144.09323	1.8
145.10107	2.8
147.08015	4.5
149.05954	6.3
149.09601	7.6
153.08989	1.9
159.11652	4.9
163.07503	3.8
163.11153	10.9
165.09094	5.7
175.11115	2.5
177.12738	10.5
181.12239	3.0
184.07489	1.7
191.31779	1.9
205.12233	8.4
223.13266	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	223.1324
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03928	0.7
55.01863	1.3
55.05238	0.3
55.05502	6.5
55.31257	0.3
56.96532	0.3
57.03430	0.4
63.14841	0.2
65.03917	0.9
66.04692	0.5
67.05493	5.4
69.03419	0.5
69.07057	5.0
71.04965	0.5
71.71484	0.4
79.05480	3.6
81.03405	10.9
81.06613	0.4
81.07043	4.6
83.04955	1.1
83.08604	2.7
85.02866	0.4
85.06497	0.5
87.08063	0.4
91.05470	2.9
93.03328	0.3
93.07030	3.0
94.04166	4.4
95.04952	17.6
95.08582	2.5
97.06510	0.3
99.23977	0.2
103.05429	0.3
103.52491	0.2
105.07031	1.5
107.04929	5.0
107.08537	1.5
109.06488	1.2
109.10107	0.4
117.06992	1.4
118.27515	0.2
119.08541	0.9
121.06467	1.2
121.10122	0.9
123.08018	1.0
131.08536	1.1
133.10103	0.3
135.08032	0.6
135.11700	0.5
145.06480	0.7
145.10095	1.4
147.08067	0.4
149.02321	1.7
149.09557	0.3
157.57312	0.3
159.11697	0.6
163.11240	1.3
165.09091	0.3
174.54655	0.3
177.12691	0.3
187.11182	0.4
193.09813	0.2
205.12195	2.0
208.12296	0.4
223.13251	100.0
224.13614	2.5
225.04253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.00291	0.7
53.03941	2.0
53.25060	0.6
55.01852	1.8
55.05505	7.0
57.03436	0.8
57.07061	1.9
59.04980	2.6
65.03915	4.0
67.05498	10.6
68.71654	0.6
69.03417	20.1
69.07056	4.4
70.06069	3.8
70.26245	0.6
71.04971	1.1
71.08624	1.0
77.03871	0.7
79.05482	8.2
81.03390	2.0
81.07046	14.5
83.04972	10.9
83.08598	1.6
85.02897	3.4
87.04454	31.0
91.05463	21.8
93.07032	20.7
94.04189	1.4
95.04954	9.8
95.08594	7.7
97.02863	1.2
97.06512	2.7
98.20724	0.7
98.59523	0.6
99.04451	0.7
101.02373	3.4
101.06007	0.8
103.04924	0.8
103.05466	7.5
105.04454	0.7
105.07024	10.0
107.04929	5.2
107.08582	10.5
109.06503	56.9
109.10131	10.1
110.07337	1.7
111.04420	2.2
111.08056	5.5
113.05975	0.9
115.05437	1.1
117.07012	5.1
119.06045	3.4
119.08559	10.8
120.08078	2.4
121.02805	0.8
121.06485	52.1
121.10130	9.5
122.07286	12.3
123.08069	3.6
123.11672	1.4
125.05984	3.6
125.09585	1.4
129.06987	1.6
130.07742	1.1
131.04910	9.9
131.08563	3.1
133.06473	1.0
133.10129	2.0
134.01834	1.2
134.07259	0.6
135.04391	1.2
135.08032	6.5
135.11667	4.6
137.09593	100.0
138.09950	1.0
139.03870	2.2
139.07549	4.2
142.07770	0.9
143.95947	0.7
144.09326	1.8
145.06454	2.0
145.10088	3.3
147.08025	2.6
147.11647	1.1
149.02298	6.6
149.05945	7.5
149.09581	8.5
149.13260	0.9
150.06644	0.8
157.10104	1.3
159.11696	6.1
161.00613	0.7
161.05940	0.9
161.09587	1.0
161.13237	0.7
162.01344	1.8
162.03003	0.9
163.07539	4.1
163.11171	7.8
165.09114	2.3
167.07011	2.1
172.08820	1.1
177.09045	0.8
177.12691	6.4
181.08568	1.6
181.12213	2.4
187.11267	3.9
187.12654	0.7
190.00798	1.3
191.06995	1.2
192.24973	0.6
195.06377	0.7
205.05029	0.8
205.12227	4.9
208.01814	1.0
222.24051	0.7
223.04057	3.6
223.05963	3.9
223.07867	1.0
223.09561	1.5
223.11380	1.1
223.13254	16.7
223.17065	2.2
225.04253	6.4
227.02316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0598
Annotation	K 251-1
Peak:m/z	Relative Intensity
52.48326	0.2
53.03930	0.4
55.05497	0.4
56.96548	0.4
65.03922	0.4
66.70116	0.2
67.05475	0.6
69.03403	0.7
70.88538	0.9
71.04978	0.5
74.17050	0.3
77.69228	0.2
78.04690	3.7
79.05460	1.2
81.03395	0.9
81.07046	0.4
83.04948	0.7
90.09435	0.2
91.05455	0.6
93.07021	1.1
95.04933	0.7
95.08573	0.7
98.97553	0.3
100.67696	0.3
105.03361	1.7
105.07005	0.6
106.04166	2.4
107.04939	2.0
107.08557	0.9
109.02840	0.3
109.06471	0.4
109.10160	0.3
109.62205	0.3
111.04438	0.3
111.08049	0.6
116.98605	0.3
117.03333	0.3
118.04118	0.7
119.08530	0.9
120.08101	0.5
121.02800	0.6
121.06473	1.0
121.10101	1.0
123.04385	0.6
123.08037	0.8
125.05956	0.3
125.09580	0.4
133.02818	1.1
134.03600	6.2
135.04388	10.4
135.08008	0.8
135.11691	0.6
137.02295	0.4
137.05969	0.2
137.09555	0.6
139.07501	0.5
145.02835	0.3
145.10045	0.5
146.03568	0.4
147.08020	0.3
149.02330	1.7
149.05959	0.4
149.09586	1.3
150.03113	0.5
152.04648	0.3
159.11670	0.6
161.02316	0.9
161.09601	0.4
162.03094	23.8
163.03877	10.0
163.11137	1.2
165.01843	0.6
165.09093	1.3
167.06987	1.2
177.05493	0.4
177.12700	1.0
178.02515	0.4
179.03369	9.7
179.06902	0.4
179.10556	0.4
180.04161	1.4
181.12096	0.4
187.11095	0.4
190.02580	31.4
191.03029	0.9
193.01263	2.8
194.02072	3.2
195.06456	1.7
205.01260	0.7
205.12230	2.0
207.02858	14.6
208.03633	24.7
209.03944	0.5
222.58458	0.4
223.05974	100.0
223.13065	2.1
224.06311	1.9
225.04189	1.1
225.79208	0.3
227.02156	0.5
231.58939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84780	1.9
55.01855	7.8
55.05499	6.7
56.05016	4.8
56.96554	31.8
57.03435	15.3
57.07062	2.3
58.34055	2.0
58.99854	17.1
59.04968	2.1
60.04503	2.5
60.95827	3.5
61.02913	21.4
62.03240	2.0
67.05481	5.0
68.98269	3.2
69.03413	7.5
70.06585	16.6
70.98096	4.0
70.99833	7.6
71.01337	3.0
71.68436	3.7
72.08126	6.1
73.02886	8.0
74.00657	5.0
74.06064	4.9
77.00896	20.4
82.01428	9.9
83.04952	3.6
84.04501	6.1
84.08131	18.9
85.02905	11.1
86.09677	10.2
86.99330	3.3
87.99419	1.9
89.00886	6.2
91.02444	15.3
91.05493	2.2
92.98395	2.0
93.07037	2.6
94.00319	2.2
95.01330	3.3
95.01913	7.1
95.06081	3.4
95.08617	3.2
97.02875	5.7
98.97561	9.7
100.02467	50.0
101.00864	5.9
101.02486	2.3
102.02283	3.4
102.96842	8.5
105.00360	5.0
106.04903	2.2
107.01817	2.6
109.03464	7.2
110.07135	3.9
110.97558	3.2
112.49972	2.3
113.00891	3.3
113.02377	3.2
113.03455	3.7
115.02409	6.9
116.98576	6.8
117.03991	4.7
118.03511	28.9
119.01911	34.6
120.00748	2.5
120.01888	2.2
120.97870	4.3
121.01627	5.9
121.03468	2.8
122.02758	13.6
122.03501	2.4
123.02885	2.5
125.02686	3.5
126.98743	12.8
127.00758	5.8
127.02479	3.1
127.03886	3.9
128.98566	5.9
129.03937	3.0
129.10202	9.9
131.01883	12.4
132.05064	2.9
133.00742	4.8
133.01654	5.7
133.03445	10.3
134.99600	7.8
135.03296	3.2
135.05061	2.9
136.06242	2.7
137.02905	9.0
138.01770	3.3
138.98900	3.9
139.51668	3.0
141.00307	3.1
141.01324	3.1
142.03528	3.0
143.01897	2.5
143.62779	3.0
144.05174	2.8
144.50941	2.5
144.99799	94.1
145.00912	5.4
145.03455	8.2
145.99901	2.6
146.99631	5.6
147.01334	4.5
147.02307	5.7
147.05002	5.2
149.02959	6.4
150.00328	10.6
153.00464	3.6
154.03494	2.6
157.03490	2.9
159.01360	11.5
160.01355	5.0
161.02965	6.3
162.99139	3.1
163.00864	19.7
163.04579	3.8
165.00661	5.5
168.01387	100.0
168.99968	2.7
169.01668	7.5
169.03331	2.5
171.01346	16.8
173.01224	2.6
173.02905	5.6
174.43660	2.0
174.51965	3.6
175.04530	2.3
175.11815	2.6
176.01041	2.8
177.00874	5.2
177.02408	86.6
178.08655	11.6
180.99966	4.0
182.02887	5.2
185.02873	2.9
186.02477	10.0
187.00705	4.8
187.50932	2.4
188.00789	6.8
189.02289	5.3
191.03096	2.4
195.03497	25.4
197.03033	4.6
199.00887	5.4
200.02327	3.1
200.04002	88.9
201.00662	3.8
201.02441	27.3
201.04146	2.8
204.00409	2.1
205.01692	7.4
213.03645	2.6
215.00365	2.3
217.00052	3.0
217.01929	5.3
218.02089	3.5
218.05089	8.1
218.98085	5.5
219.01656	3.7
219.03528	8.1
223.05827	9.6
223.10989	2.2
224.03952	9.9
225.04253	17.0
227.02266	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	222.1849
Annotation	Tapentadol
Peak:m/z	Relative Intensity
53.05571	0.2
55.05501	0.6
62.92211	0.2
63.23473	0.3
67.05496	0.6
69.07038	0.3
70.87622	0.3
70.87979	0.6
79.05457	0.3
81.03423	0.4
81.07026	0.9
83.04960	0.4
83.08578	0.3
91.05456	0.6
91.09940	0.2
93.07016	1.1
94.07415	0.2
95.04987	0.2
95.08580	0.8
105.07002	0.6
106.07298	0.3
107.07320	8.7
107.08561	0.7
108.08907	0.5
109.06493	0.3
109.10130	0.2
111.08099	0.3
116.98630	0.3
119.08553	0.5
120.08094	2.7
120.08901	0.5
121.06465	0.3
121.10122	0.3
122.09644	0.4
123.08021	0.3
131.04898	0.9
133.10127	0.3
134.09612	1.1
134.10498	0.3
134.99612	0.4
135.08046	0.3
135.10390	0.3
135.11653	0.6
136.08748	0.3
136.11163	0.3
137.09637	0.2
145.06412	0.3
148.11143	0.4
149.02307	0.6
149.34351	0.2
150.12703	0.3
151.09903	7.9
161.05991	0.3
162.01328	0.5
163.07465	0.3
163.10896	0.3
164.10683	2.1
165.09123	0.4
165.11455	0.3
176.10669	0.2
176.15045	0.3
177.12654	0.3
178.12497	1.1
178.15881	28.0
197.43457	0.2
204.17365	1.0
222.18491	100.0
223.04205	0.7
223.06056	0.5
223.13321	0.3
223.16940	0.3
223.18848	2.0
225.04224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	2.0
55.01849	1.9
55.05506	22.0
57.07060	7.1
59.04972	2.9
63.91575	1.8
67.05141	2.0
67.05496	32.7
67.84977	1.6
69.07059	37.0
69.52584	4.5
69.53002	11.5
71.04977	7.1
79.05479	17.9
81.07043	70.1
83.04971	21.2
83.08614	11.6
85.06520	3.6
85.10164	3.2
87.35201	1.8
91.05475	18.4
93.07030	34.5
94.17739	1.8
95.04966	2.9
95.08593	73.1
95.09205	3.8
97.06474	2.1
97.10157	10.8
98.20724	4.0
99.08096	3.4
105.07008	41.1
107.04842	1.7
107.08578	55.2
109.06496	6.9
109.10143	61.0
111.08058	6.0
111.11709	3.7
119.08562	37.1
121.06506	2.2
121.10128	23.8
123.08035	4.1
123.11693	17.1
125.09617	14.0
131.08466	2.1
133.10120	26.5
135.11653	13.2
137.05937	2.2
137.09604	6.7
139.11162	6.7
145.10030	2.3
147.11661	46.8
149.13246	5.9
151.11163	7.1
161.09500	2.0
161.13243	24.9
163.14783	16.6
165.09216	2.2
165.12747	8.4
175.14809	17.8
177.16324	9.1
203.17928	100.0
204.18349	2.0
206.16118	2.4
221.15413	4.7
221.18994	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	5.6
55.01844	3.1
55.05508	30.3
56.96541	2.3
57.07070	14.8
59.04982	6.9
67.05493	43.8
69.03431	4.6
69.07062	52.0
71.02512	3.4
71.04974	11.4
79.05478	32.3
81.03423	2.7
81.07043	100.0
82.07336	2.4
83.04965	26.6
83.08607	19.5
83.10877	2.2
85.02882	3.2
85.06499	5.9
91.05466	23.3
93.07031	52.4
95.04959	10.2
95.08593	82.6
95.09203	4.9
96.08910	2.7
97.06526	5.7
97.10152	8.6
99.08091	4.7
105.07016	68.0
106.07334	2.5
107.08577	76.4
109.06503	9.4
109.10143	70.6
111.08054	11.4
111.11707	5.9
113.09571	2.6
115.05457	4.6
117.06980	4.3
119.08571	51.7
121.06493	8.7
121.10125	39.1
122.06039	3.1
123.08028	5.2
123.11700	22.0
125.09607	14.8
128.71941	2.3
131.04959	4.4
131.08495	3.0
133.06480	6.7
133.10107	37.2
135.08052	5.6
135.11659	24.4
137.05962	3.5
137.09601	9.5
137.13223	4.1
139.11134	6.8
142.27510	2.7
145.10089	5.6
147.11671	56.4
149.13239	4.4
151.11172	7.4
161.05952	10.6
161.09593	6.2
161.13258	34.9
163.07596	4.2
163.11238	3.5
163.14813	27.4
165.05409	3.3
165.12767	11.2
175.07477	4.1
175.11130	3.5
175.14771	16.6
177.09077	7.0
177.16374	8.6
179.10648	6.3
193.08528	3.1
193.15887	3.6
203.07132	2.6
203.10765	4.4
203.14513	4.0
203.17929	98.0
204.18315	4.0
206.16226	8.6
221.04289	4.9
221.07909	5.5
221.11702	8.2
221.15482	16.8
221.19011	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	1.5
55.00240	0.6
55.05501	9.7
57.07066	3.9
59.04985	1.4
65.03946	0.7
67.05499	9.1
69.07060	8.6
70.87909	1.5
71.04606	1.2
71.04983	14.9
77.62937	0.7
79.05484	13.9
81.07046	45.9
83.04967	1.8
83.08607	3.8
85.06512	0.8
91.05457	8.9
93.07034	35.8
95.04974	1.9
95.08595	23.2
97.06523	1.9
97.10152	2.2
98.64921	0.7
98.97585	1.2
99.08080	4.0
105.07015	20.3
107.08580	61.2
108.08936	0.8
109.06514	2.3
109.10146	18.2
111.08053	2.3
111.11761	0.8
113.09628	1.4
116.98594	0.9
117.07013	1.2
119.08567	32.1
121.10139	9.2
123.08070	1.7
123.11689	15.5
125.09591	1.4
127.11165	3.7
131.08553	0.8
133.09352	0.4
133.10106	24.3
135.11676	100.0
136.11990	1.3
137.09608	4.1
137.13246	2.4
145.10080	1.5
147.11665	19.1
147.12854	1.0
149.13232	6.8
150.11705	0.6
151.11142	4.3
151.14778	0.7
153.12660	0.8
159.11678	1.0
160.12486	1.4
161.05933	1.2
161.13232	10.1
163.14842	4.5
165.12732	2.2
175.14830	2.0
177.16370	2.1
193.15883	0.7
203.17937	31.5
221.08044	1.0
221.15486	1.6
221.18983	39.0
222.19215	0.9
230.56868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00294	2.2
53.03925	4.2
55.05503	14.7
57.07055	4.2
59.04979	2.4
59.12150	1.5
67.05495	16.2
69.03425	2.0
69.07061	17.2
70.95311	4.3
71.04621	1.7
71.04984	24.8
73.06546	1.9
79.05482	24.1
81.07044	83.3
83.04965	2.9
83.08607	7.1
85.06520	3.8
90.81288	2.0
91.05460	17.4
93.07031	51.4
95.04935	4.8
95.08586	34.9
97.06496	2.9
97.10155	3.5
99.08064	5.5
101.73744	1.5
103.05477	3.2
105.07012	37.9
107.04926	1.7
107.08578	72.8
109.06506	8.2
109.10148	29.9
111.08075	5.2
113.09626	2.6
115.05466	2.4
117.07028	2.0
119.08563	54.4
121.06535	1.9
121.10144	14.6
123.08055	4.9
123.11690	18.9
125.09621	2.2
127.11163	7.2
131.04942	2.3
131.08548	2.2
133.06450	5.9
133.10118	32.4
135.08041	2.2
135.11673	100.0
137.05946	2.9
137.09613	5.3
137.13219	3.3
145.10104	2.6
147.04343	3.2
147.08018	2.9
147.11691	24.9
149.13208	10.4
151.03934	2.3
151.11165	4.7
159.11671	3.1
161.05980	4.1
161.09627	4.0
161.13251	21.3
163.14806	7.2
165.09137	2.4
165.12701	4.0
175.07471	3.0
175.11290	2.0
175.14742	8.7
177.09059	5.5
177.16359	4.0
179.10715	2.0
185.13203	2.2
190.81938	2.1
193.08612	3.1
193.15895	5.7
203.14302	4.1
203.17947	40.3
203.19872	2.0
206.05756	1.9
206.16153	2.8
221.04428	3.2
221.07893	2.7
221.15533	14.4
221.18996	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03923	1.4
55.05501	8.8
57.03420	0.8
57.07056	2.8
59.04980	1.3
60.14805	0.8
67.05499	8.1
68.57709	0.8
69.07059	9.8
70.90009	2.4
71.04611	1.3
71.04980	16.8
79.05478	14.2
81.07043	47.0
82.07346	1.1
83.04965	2.5
83.08617	5.3
85.06512	1.0
91.05457	10.1
93.07031	31.5
95.04960	1.5
95.08593	20.7
97.06512	1.5
97.10130	2.8
99.08063	3.5
103.05401	0.8
105.07011	21.0
107.08575	49.6
109.06490	2.4
109.10137	18.6
111.08045	1.9
111.11691	0.9
113.09637	1.2
117.06992	1.3
119.01894	1.3
119.08563	35.7
121.10126	8.3
122.06866	0.7
123.08024	2.2
123.11687	17.4
125.09606	1.3
127.11202	3.9
131.08539	1.2
133.06490	0.8
133.09183	1.3
133.10120	18.7
135.11673	100.0
136.12007	2.1
137.09599	3.7
137.13206	2.7
139.11197	1.2
140.64331	0.8
145.10091	1.9
147.11656	15.7
149.02313	0.9
149.13213	4.7
151.11160	3.3
160.12410	1.0
161.05980	1.1
161.13234	10.1
163.14806	4.5
163.22983	0.8
165.12669	0.9
175.14804	2.6
177.16324	2.2
177.76569	0.8
203.17921	32.0
221.15318	2.5
221.18987	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03942	5.4
53.66963	0.8
55.01862	1.5
55.05503	9.8
56.79984	0.7
57.07064	0.9
65.03941	1.5
66.34530	0.8
67.05495	16.0
69.07062	11.8
69.77660	5.5
71.04980	3.3
71.75308	0.8
73.06545	1.6
79.05484	61.1
80.05839	1.9
81.03380	1.2
81.07049	38.6
82.07373	0.9
83.04964	2.9
83.08607	3.9
85.02892	1.0
85.06535	4.4
87.04448	1.3
91.05468	44.8
93.07034	100.0
95.04964	9.2
95.08598	16.5
97.06507	2.6
105.04505	2.6
105.07021	36.6
107.08579	74.3
108.08908	1.4
109.06509	6.1
109.10158	2.5
111.08087	1.7
117.07006	5.3
119.06067	1.1
119.08566	33.7
121.06458	1.6
121.10123	17.2
123.08033	5.2
127.07580	1.8
128.06212	1.3
129.06979	2.9
131.08533	7.5
133.10109	10.3
135.08084	1.9
135.11658	1.6
137.09631	1.1
138.32190	0.9
142.07849	1.0
143.08539	9.3
145.10126	2.4
147.08017	3.8
147.11674	4.9
157.10165	4.3
159.11700	8.2
161.09608	4.7
161.13240	32.7
165.05458	0.8
165.09079	1.8
175.11140	6.1
175.14813	7.3
179.10713	1.2
185.13251	14.9
203.14267	9.4
206.16156	1.4
221.13370	1.1
221.15334	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03922	4.5
55.01864	2.6
55.05487	3.3
57.07059	1.9
59.05003	5.3
65.03916	1.2
65.26564	0.9
67.05481	4.5
69.03423	7.1
69.07047	4.0
70.16464	5.3
70.79017	0.9
71.04962	1.3
73.99615	0.9
79.05481	22.9
81.03394	1.0
81.07043	71.5
83.04971	9.0
85.06521	2.4
91.04925	2.0
91.05465	36.1
91.39135	1.0
93.07031	40.5
95.04950	12.6
95.08597	2.0
97.06504	1.0
98.20825	1.5
98.97547	2.0
101.05957	1.6
102.48910	0.9
103.05479	1.3
105.04482	1.7
105.07014	12.8
107.04949	17.1
107.08588	6.5
109.06493	21.5
109.10110	1.4
110.85096	1.1
113.05989	2.5
115.05385	1.1
117.06992	4.6
119.04924	49.7
119.08562	12.6
121.06476	4.5
121.10113	3.1
123.04366	1.1
123.08042	3.6
123.11673	1.3
125.05944	1.2
127.07513	2.0
129.07008	1.9
131.08514	2.5
133.06470	3.9
133.10127	11.2
135.08028	4.1
135.11632	7.0
137.05956	100.0
137.09558	2.4
142.07765	3.3
145.06442	1.2
145.10115	5.2
147.08028	2.3
147.11659	17.4
149.09570	2.0
151.07512	2.7
151.11140	1.8
155.07043	2.7
157.10121	7.1
159.11646	1.4
160.08771	2.4
161.06015	1.5
161.09615	6.7
162.10443	1.1
163.07506	1.2
163.11176	3.9
165.05388	2.6
170.12338	1.1
175.07393	1.1
175.11165	19.0
179.10670	7.2
185.09662	2.1
191.10645	5.7
193.12207	18.0
203.10629	10.8
221.11702	46.4
221.15129	2.0
222.12071	1.4
240.06613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.80486	0.7
54.83868	0.7
55.01855	0.8
55.05492	3.3
56.05001	0.8
56.96559	11.6
57.03405	0.8
57.07057	3.0
60.04507	0.9
61.02909	1.9
67.05489	4.1
69.03401	2.6
69.07045	2.7
70.06572	2.4
71.69173	1.3
72.08141	2.5
73.02903	2.1
73.06509	1.0
74.02428	0.8
74.06060	1.0
79.05466	2.3
81.03415	1.0
81.07043	3.9
82.02919	1.4
83.04963	0.8
83.08595	2.7
84.04466	1.2
84.08096	1.6
85.02885	3.1
86.09686	1.4
90.05540	1.7
91.05454	2.7
93.07014	1.9
94.06557	4.6
95.01291	1.6
95.04963	1.7
95.08591	3.1
97.02887	3.0
98.01264	1.1
98.03239	0.9
98.06017	0.8
98.97578	4.8
100.02370	1.0
102.96867	1.0
103.05437	0.9
105.03391	1.3
105.07007	2.4
107.04964	1.1
107.08585	3.6
109.02901	0.8
109.06487	2.0
109.10138	4.8
110.07163	1.0
111.08078	5.8
115.05420	0.9
116.98625	5.6
119.01857	1.4
119.04946	1.0
119.08550	3.8
120.08063	1.2
121.01618	1.1
121.06493	5.1
121.10136	1.4
122.10715	0.7
123.08013	1.0
123.11704	0.8
128.02266	0.8
128.98601	1.2
130.06509	64.4
131.06834	1.8
132.04431	38.6
133.04834	0.9
133.06462	1.2
133.10124	2.3
134.99663	3.6
135.08020	1.7
135.11620	1.4
137.05974	1.6
137.09598	2.3
137.13290	0.8
145.10091	0.8
146.99626	1.9
147.03206	1.1
147.04305	1.6
147.08046	1.6
147.09132	1.1
147.11719	1.9
148.07526	2.8
149.01184	0.8
151.07590	0.9
151.11087	0.9
152.10715	0.7
153.09026	2.5
155.04637	3.3
155.54858	4.5
156.04901	1.3
157.07594	32.2
158.05991	74.3
158.99606	1.0
159.06285	2.1
161.01207	0.8
161.04683	1.0
161.13202	0.8
162.99068	1.1
164.05194	1.8
164.55322	3.1
165.00621	0.9
165.04210	1.3
165.05449	1.3
165.09081	1.8
166.04793	1.0
166.55305	0.8
170.99463	0.8
174.98547	0.9
175.00890	1.0
175.08650	100.0
175.14763	3.8
176.07117	1.5
176.08972	1.2
177.00728	2.2
179.02063	1.0
179.10669	1.3
181.04878	1.1
185.07104	1.1
186.05540	2.7
188.11960	1.0
189.00706	0.8
193.00150	0.9
193.01833	0.9
193.15881	3.0
197.02840	0.8
198.02512	1.7
203.08159	10.3
203.10852	1.7
204.06621	5.0
206.16254	3.5
207.42931	1.0
217.00090	2.0
219.01726	1.2
221.04482	4.3
221.09233	20.0
221.11624	1.4
221.15208	5.7
221.18217	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	219.1739
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
50.04698	0.7
53.03936	0.9
55.02856	0.7
55.05504	5.6
57.03420	1.1
57.07054	2.1
59.04990	1.1
65.03943	0.7
67.05490	9.4
69.03413	1.4
69.06690	1.4
69.07055	28.3
69.40274	0.6
70.13280	3.9
71.04984	4.1
71.08610	1.0
79.05478	4.8
81.07042	14.8
83.04961	2.8
83.08611	5.2
85.06508	2.8
91.05460	6.8
93.07025	13.4
95.04939	2.9
95.08005	1.3
95.08588	21.5
97.06499	1.9
97.10130	2.1
100.84045	0.6
105.06323	1.3
105.07008	17.0
107.08571	19.3
109.06490	4.8
109.10135	22.7
111.08064	3.0
113.09645	1.0
117.06966	3.2
119.07734	1.3
119.08560	21.0
121.06447	3.0
121.10118	18.5
123.08043	2.7
123.11702	6.5
125.09586	2.1
130.07767	1.6
131.08531	7.1
133.10101	8.4
135.08038	4.4
135.11661	14.0
137.09592	10.7
137.13206	1.9
143.08569	1.7
144.09244	0.9
145.10089	19.1
147.11629	5.4
149.09608	8.6
149.13234	4.0
151.11151	2.0
157.10123	0.7
159.11673	9.5
161.09633	0.8
161.13232	10.8
163.11162	16.0
173.13286	3.5
175.14755	6.8
177.12724	3.3
177.16330	2.6
189.12846	1.5
191.17911	8.3
201.16360	14.7
203.14261	5.4
219.17404	100.0
220.17738	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	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.10019	0.1
67.05492	0.1
68.36401	0.1
71.04044	0.3
71.04399	0.2
106.06591	0.2
111.59051	0.1
118.06525	9.8
119.07359	0.3
120.08096	0.2
125.72465	0.1
126.64817	0.1
132.08070	2.9
132.09056	0.2
133.08838	1.1
134.09604	0.8
144.08034	0.3
146.09622	2.9
147.10376	0.4
148.11153	0.2
153.15450	0.1
154.12283	0.1
160.11208	0.6
161.11838	0.1
162.09122	5.5
163.09637	0.1
172.11258	0.1
174.09274	0.1
174.12798	0.2
176.10742	4.3
176.14320	26.7
177.11455	1.6
177.12897	0.2
177.14633	0.6
189.15077	0.3
190.12233	3.0
191.13068	0.2
202.15866	0.8
204.13667	0.3
211.80637	0.1
220.16934	100.0
221.17288	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	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.10179	0.9
55.05495	1.5
67.05480	2.0
69.07044	1.2
70.37258	1.6
70.37663	2.8
71.01369	1.0
71.04950	1.6
79.05462	1.9
81.07014	3.2
85.68122	1.1
91.05460	12.7
93.07027	1.7
95.08582	2.2
100.00179	0.9
103.05489	2.0
105.07000	4.6
107.08588	1.4
115.05434	9.7
116.06204	2.5
117.06987	4.4
119.08543	3.4
121.10115	2.6
128.06203	9.9
129.06982	36.5
130.07715	3.0
131.04939	8.2
131.08545	40.7
133.10089	4.2
135.11571	1.0
135.43123	0.9
137.05936	4.1
141.06963	36.7
143.08536	2.6
144.05652	8.4
145.06447	9.1
145.10136	1.7
146.07227	5.3
147.07983	1.1
148.05162	1.5
157.06465	22.2
158.06013	1.7
158.07245	22.8
159.04391	3.7
159.08029	30.0
159.11670	2.1
160.05177	4.4
161.05934	1.3
161.09549	5.5
161.13243	1.8
163.07507	3.1
168.05707	1.4
169.06439	15.8
169.07719	2.1
170.07248	7.1
171.08029	1.1
172.05186	0.9
173.06032	5.1
173.09593	1.8
173.13194	1.2
174.06740	77.2
175.07509	10.8
176.08011	1.0
185.05817	1.3
185.13316	0.9
186.06731	17.7
187.07492	2.4
188.08330	4.2
189.09074	100.0
190.09453	3.2
191.06972	1.7
191.10649	6.6
201.09077	42.3
203.14282	11.3
219.10132	96.2
219.17393	44.8
220.10468	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	219.1012
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03981	0.7
55.01895	0.8
55.05529	2.8
57.03464	1.9
57.07084	1.0
61.02945	0.8
63.02408	0.6
65.03938	0.8
67.05494	3.6
69.03455	0.9
69.07059	3.1
70.87189	0.7
70.95263	1.0
70.95598	1.0
71.01357	1.5
71.04995	1.3
74.79395	0.6
75.04503	1.4
79.05479	3.7
81.07051	5.3
83.04978	0.8
83.08624	1.1
87.04481	1.0
91.05466	14.7
93.07023	4.4
93.61044	0.7
95.04974	1.2
95.08620	2.8
103.03964	1.9
103.05428	3.6
105.07006	9.4
105.07604	0.7
107.04976	1.5
107.08582	5.2
109.06527	1.9
109.10180	1.4
110.06093	0.6
115.05442	12.4
116.06203	3.8
117.07010	5.7
118.07790	0.9
119.08553	8.9
120.08066	1.3
121.10107	8.2
125.09579	0.7
128.06189	11.4
128.07050	1.0
129.06981	43.8
130.04192	0.7
130.07753	3.0
131.03369	0.8
131.04895	8.7
131.08543	40.3
133.06500	1.1
133.10104	9.8
134.61432	0.6
135.08011	1.6
135.11699	2.3
137.05971	3.9
141.06969	38.0
143.04918	1.9
143.08533	2.0
144.05673	6.2
144.09236	0.7
145.06467	7.7
145.10085	4.0
146.07239	5.1
147.04498	1.1
147.08080	1.1
147.11668	2.6
148.05203	1.2
149.09618	0.9
151.03870	1.1
151.07556	0.8
153.06949	1.1
155.04938	0.9
155.06061	1.0
155.08598	1.0
157.06458	22.0
157.10020	0.9
158.07248	23.3
159.02895	2.7
159.04413	5.2
159.08034	28.3
159.11633	5.0
160.05220	5.6
161.05939	1.2
161.09596	5.6
161.13197	3.5
161.61586	0.7
163.07529	2.6
168.05774	0.8
169.06439	13.3
169.07550	1.3
170.07254	8.3
170.10950	1.1
171.04366	1.0
171.08044	1.7
173.05928	5.0
173.09624	2.5
173.13255	2.4
174.06735	79.0
175.07491	11.7
175.14795	2.0
176.08206	0.8
177.12737	1.0
185.05960	1.6
186.06738	20.2
187.07385	2.1
187.11153	1.5
188.08350	3.7
188.11870	1.4
189.09076	94.7
190.07805	1.6
190.09430	2.4
191.06981	2.1
191.08549	2.8
191.10648	7.5
201.09073	41.8
201.12782	2.1
201.16364	2.8
202.09361	0.9
203.14294	28.2
204.03018	1.2
205.15901	1.1
219.08110	7.0
219.10112	93.7
219.13716	3.0
219.17393	100.0
220.10431	2.6
220.17728	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	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
55.84041	0.7
59.04998	0.7
61.02614	1.1
61.02916	18.8
61.03224	1.6
65.04821	0.8
66.19727	0.6
66.22276	0.6
68.35606	0.6
71.01341	27.8
71.44164	0.8
71.44493	1.0
75.04468	51.4
84.99256	1.5
85.02868	1.0
85.23683	0.7
87.03953	1.2
87.04455	17.3
89.02379	8.8
101.06009	1.7
103.03924	62.0
105.07023	0.7
107.54073	0.6
116.29563	0.7
119.08566	1.2
121.10155	1.3
131.03383	13.1
134.38347	0.7
139.92995	0.8
142.93689	0.8
159.02864	100.0
160.03276	0.8
180.50520	0.7
187.02357	12.8
203.14268	4.4
219.04965	8.8
219.17403	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	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.6
55.05529	1.8
59.32018	1.4
61.02625	2.3
61.02915	28.3
70.29858	6.2
71.01340	45.3
73.02900	1.9
75.04468	67.5
79.05491	1.5
80.20026	1.4
84.99241	1.5
87.04459	22.5
89.02367	10.1
90.05521	4.3
92.39100	1.3
98.20799	1.6
103.03922	76.2
107.56477	1.6
119.08530	2.8
121.10126	4.2
124.07647	1.7
131.03389	17.2
131.08522	1.8
133.10014	2.4
153.96040	1.6
159.02859	100.0
160.03090	1.5
161.04434	1.4
161.09709	1.4
161.13203	2.1
187.02367	12.5
188.11972	1.5
203.14258	16.2
217.03380	1.4
219.04849	9.1
219.17390	52.7
220.11627	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	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
55.41166	1.1
58.26548	0.8
61.02916	26.0
71.01344	48.1
71.13841	2.6
75.04467	61.8
75.73436	0.9
76.74955	0.8
84.99273	1.1
87.04451	22.5
89.02376	10.0
92.75575	0.8
101.06017	2.0
103.03923	78.3
105.07059	1.0
108.92655	0.9
119.08612	1.0
131.03381	13.3
133.10056	0.9
159.02859	100.0
160.03282	1.1
161.04396	1.1
163.10959	0.9
187.02332	8.6
192.07373	0.9
203.14278	4.3
219.05008	8.2
219.17371	10.2
234.58867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.4
55.05484	3.4
56.96556	18.1
57.03408	3.6
57.07061	1.1
59.04973	1.7
60.04508	1.8
60.95832	1.2
61.02654	1.1
61.02916	11.0
67.05480	2.9
68.99773	6.2
69.03419	4.2
69.07040	2.6
70.06560	2.1
70.09609	0.9
70.98096	2.6
71.01341	63.0
71.13181	1.5
71.13507	0.9
72.08152	2.1
73.02902	6.0
73.06516	1.1
74.06034	0.8
74.25700	0.8
75.04469	18.1
76.33040	0.8
79.00656	1.3
79.05475	2.2
81.03400	1.1
81.07026	3.2
83.04942	1.9
84.04516	1.0
84.08109	1.9
84.96015	1.4
84.99229	1.4
85.02897	5.7
86.09673	2.4
87.04462	2.0
88.99138	1.3
89.02361	1.5
89.06004	0.9
90.02402	1.1
90.05526	0.8
91.05456	4.1
93.07021	2.0
95.04932	1.5
95.08591	2.2
97.02896	4.4
98.97562	25.8
99.00768	4.2
101.00871	1.5
101.02348	4.8
103.00591	1.5
103.03928	19.9
105.02190	1.2
105.07020	3.5
107.08572	2.0
109.06490	1.2
110.97516	1.7
111.00128	1.1
111.00835	6.2
113.02354	2.8
115.02403	1.1
116.98604	16.1
117.01826	14.7
118.00978	0.9
118.02168	1.1
119.01890	10.5
119.04922	1.4
119.08541	6.8
120.02073	0.9
121.01659	11.5
121.10122	7.0
124.01836	1.2
125.02543	1.7
126.02526	1.3
127.00255	2.8
127.01523	4.4
127.03957	1.0
128.98584	2.8
129.01839	6.1
131.01836	2.3
131.03386	42.4
131.08522	1.5
132.00743	1.3
133.01559	2.5
133.03438	3.4
133.04947	2.1
133.10075	5.9
134.03589	1.4
134.99638	9.2
135.03191	2.4
135.11594	1.8
137.02867	1.8
137.05923	2.1
138.00711	1.6
139.02609	3.6
141.01790	2.0
143.01852	1.3
143.03404	1.1
145.01305	9.8
145.03305	1.1
145.04932	4.9
145.10117	2.1
146.01338	1.6
146.51405	1.9
146.99699	4.4
147.01253	4.3
147.03134	3.5
147.04395	4.1
147.11702	2.0
148.01958	1.3
149.01137	1.1
149.04561	1.6
151.02409	1.0
151.04504	1.1
153.04213	2.1
154.02008	1.5
154.94156	1.7
155.04631	3.3
157.04950	7.8
158.99611	3.0
159.01411	1.7
159.02873	48.7
161.01199	1.2
161.02898	2.8
161.09581	2.2
161.13228	3.8
163.02672	1.2
163.04413	1.0
164.05125	1.9
165.00781	1.9
165.04170	1.5
168.01720	4.6
170.10902	1.5
172.95245	2.4
173.01091	1.0
173.02948	2.0
173.09444	1.1
173.13091	1.4
174.01859	1.3
175.00856	2.2
175.02440	1.2
175.14836	2.0
177.00658	11.2
177.02333	3.7
179.06964	1.2
179.52504	1.2
187.11119	1.6
188.52675	1.0
189.00742	1.4
189.02458	2.6
190.98611	3.1
191.02200	1.9
193.00310	0.9
195.01730	4.0
196.04581	1.0
201.00691	1.0
201.02444	1.4
203.14273	28.6
208.04884	1.3
208.99637	1.1
217.01894	2.1
217.05450	0.9
219.01714	3.3
219.03456	2.1
219.05200	1.2
219.07056	1.7
219.17400	100.0
223.00916	0.9
232.99669	1.1
235.02791	1.1
237.02734	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61369	9.1
53.88926	9.3
56.39059	9.1
60.03816	8.1
65.10384	8.3
69.35995	7.8
69.45857	77.7
69.50205	8.1
74.25605	8.5
74.45132	9.8
74.53692	8.4
84.08126	31.4
84.18518	8.8
98.20648	20.0
119.01929	54.8
121.01679	15.3
130.08662	13.8
145.95424	11.5
147.03127	21.5
161.02896	11.0
173.02908	16.7
177.02335	13.2
189.81395	8.8
203.14304	36.6
219.02652	13.4
219.17378	100.0
220.86740	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81941	1.2
52.89082	1.2
53.03929	1.6
55.01844	3.9
55.02100	1.5
55.05501	3.6
56.05031	1.6
56.96562	11.8
57.03429	12.2
58.99841	2.5
60.04271	1.4
60.04520	15.3
61.02918	51.9
62.03268	3.3
63.17425	1.2
64.53133	1.3
67.05495	3.1
68.99756	1.5
69.03419	9.8
69.07043	3.4
70.06569	1.8
70.44300	5.5
71.01347	11.7
72.08141	15.5
72.45815	1.5
73.02913	7.8
74.06053	6.0
75.04458	4.9
77.00911	2.6
77.46036	1.4
78.00949	1.2
79.00621	1.3
79.05467	1.2
81.03420	2.8
81.07038	2.5
82.01415	1.2
83.04941	1.6
83.49089	1.1
84.04478	2.3
84.08132	9.2
85.02883	14.4
86.09690	20.2
87.00807	3.2
87.04435	2.3
87.05605	1.2
89.00787	1.8
90.05541	3.3
91.02416	1.5
91.05489	1.3
93.07018	2.4
95.01272	2.6
95.08533	1.2
97.02872	4.3
98.97557	7.4
99.00790	1.4
100.02478	15.3
101.00880	7.7
101.02362	1.9
102.00916	1.8
102.02377	2.5
103.00597	5.4
103.02418	4.4
103.03926	4.8
105.07050	2.5
106.00932	1.5
107.08582	3.3
109.06487	1.5
111.02921	1.8
113.02376	9.1
115.02436	2.6
116.02633	1.4
116.98586	5.8
117.01875	2.8
118.03502	14.3
119.01902	39.5
119.08574	6.9
120.01955	7.3
120.03354	2.2
121.01664	25.2
121.03446	3.0
121.10133	8.7
123.03178	1.7
126.98769	1.7
127.00264	1.6
127.01415	1.2
127.03904	4.1
127.98895	1.7
128.23825	1.4
128.98532	2.6
129.01968	1.5
129.03934	3.2
130.08586	3.3
131.01881	4.9
131.03383	5.7
131.08508	1.9
132.10179	7.8
133.01622	4.3
133.03436	9.4
133.10123	5.9
134.99632	3.0
135.03148	3.2
135.11635	2.0
137.02953	14.1
138.03212	2.5
138.77211	1.5
139.02629	8.9
140.84767	1.3
142.52943	2.4
142.96507	1.4
143.01851	5.8
144.99815	14.0
145.01463	2.5
145.03418	4.4
145.10109	1.8
145.99910	6.4
146.99585	6.5
147.01300	1.8
147.03091	11.6
147.05011	2.3
147.11597	1.8
148.04784	1.8
149.01135	2.5
149.02881	3.4
150.01741	2.9
151.02693	3.0
151.04480	5.4
155.01938	3.1
157.03453	2.8
159.01523	2.5
159.02858	9.4
160.97548	1.7
161.01068	2.5
161.01682	1.4
161.02963	13.8
161.09578	3.3
161.13199	3.8
162.02966	3.0
163.00850	3.7
163.02626	2.3
165.00632	1.9
165.04210	8.7
168.01611	1.5
170.99590	2.2
171.01190	2.5
172.99307	14.7
173.00920	1.7
173.01404	2.3
173.02892	12.9
173.09711	1.5
173.12886	5.5
174.03209	2.0
175.04504	2.0
176.52554	1.8
177.00693	3.5
177.02388	11.7
178.02522	2.6
179.02162	3.9
185.02933	2.4
187.00874	6.4
188.00992	2.8
189.00592	4.1
189.02930	1.8
190.02538	2.0
191.00331	12.0
191.02177	5.7
191.04036	4.2
192.00639	1.7
193.00165	2.6
196.00920	17.4
196.04553	5.5
203.14301	32.8
205.01901	4.8
206.02010	2.7
207.01660	3.4
209.03195	2.6
214.01993	7.5
214.98500	2.5
215.00363	1.8
217.00099	1.7
218.02104	2.0
219.01625	2.4
219.03520	2.3
219.07150	1.9
219.17401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
56.96557	18.9
57.03416	2.6
60.04480	0.8
61.02917	7.6
69.13487	0.8
70.03729	0.7
70.43813	0.7
70.63997	1.5
70.98111	9.7
71.01327	1.5
71.04950	0.6
71.95255	1.5
73.02897	1.6
74.06067	1.9
75.04465	0.7
84.08144	1.3
84.96031	1.6
85.02885	2.4
86.09694	14.4
88.99146	4.2
98.97569	100.0
100.02468	2.7
101.00859	2.5
103.00636	0.9
103.01315	0.6
110.01256	0.8
110.97514	1.0
111.02046	0.7
113.02400	1.0
114.49696	0.7
116.98605	53.4
117.01817	1.6
118.01059	0.8
118.03509	1.3
119.01907	7.3
119.08546	1.1
120.01965	1.1
121.01646	3.0
121.10121	0.8
127.03949	1.3
128.98578	2.8
131.00150	2.6
131.01848	1.4
131.03371	0.9
133.01616	1.0
133.03453	2.9
134.99638	19.7
135.03218	1.1
137.02921	1.6
138.01575	0.7
140.00171	2.0
140.04933	0.8
143.01895	0.9
144.99803	1.8
145.06975	0.7
146.99608	7.1
147.01396	1.1
147.03172	1.1
147.05025	1.3
149.01230	4.4
153.00629	1.1
154.01939	0.9
158.01205	0.7
158.99634	4.2
159.02979	1.4
160.02901	0.9
161.02921	1.7
163.02693	1.1
165.00697	6.2
167.02206	0.7
172.99345	1.6
173.03003	0.9
177.00691	45.1
177.02235	1.7
187.00862	1.9
189.00729	2.8
189.03215	0.7
189.53236	0.7
191.00417	1.5
191.03798	0.7
195.01743	32.2
196.00916	2.3
200.02295	2.0
201.02458	0.9
203.14326	4.0
207.01680	3.8
213.02724	0.9
214.01941	1.7
218.03329	1.0
219.01741	5.2
219.03609	1.0
219.07185	1.8
219.17380	9.5
237.02806	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	217.1584
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03934	2.1
55.01859	3.3
55.05503	30.0
57.07053	3.1
59.04993	3.2
61.61329	1.1
65.03914	2.2
65.11712	1.0
67.05140	1.1
67.05494	18.2
69.03414	7.6
69.07061	6.1
69.74677	7.2
71.04968	2.6
73.02896	2.1
79.05476	13.8
81.03407	1.0
81.07048	14.7
83.04966	36.0
83.08599	3.8
85.06522	3.5
85.83529	0.9
87.04448	4.3
88.04742	1.0
89.02377	3.6
89.06000	6.6
91.05462	20.9
93.07033	28.5
95.04953	37.8
95.08592	22.2
97.06510	7.3
97.10163	1.6
101.06010	11.2
103.05438	1.8
105.07014	51.1
107.04913	2.2
107.08578	20.5
109.06503	11.4
109.10143	14.4
111.04427	48.0
111.08046	1.8
113.05998	7.2
115.05433	4.7
117.06997	4.6
118.04154	2.1
119.04922	1.2
119.08563	31.3
121.06458	4.1
121.10125	70.9
122.10476	1.2
123.08059	13.0
123.11660	4.7
124.55236	0.9
127.07541	8.1
128.06209	5.4
129.05469	13.3
129.06944	5.2
131.04871	2.7
131.08540	11.3
133.06450	3.0
133.09169	2.0
133.10110	24.4
135.07933	2.2
135.11673	8.1
137.06001	1.9
137.09570	3.4
142.07765	5.8
143.08530	12.3
145.06491	1.1
145.10117	6.3
146.03603	2.0
147.08017	8.0
147.11653	9.8
149.09607	1.8
149.13208	1.6
151.43362	0.9
155.07007	63.2
156.05649	1.2
156.07359	2.1
156.09335	2.1
157.10110	16.2
158.10822	1.4
159.07945	2.0
159.11678	9.6
161.05943	2.5
161.09587	15.1
161.13248	6.5
169.10048	1.5
169.24025	0.9
171.11664	4.6
173.05914	3.5
173.08081	36.0
173.13222	8.2
173.97871	1.1
174.03102	20.0
174.08401	1.0
175.11140	3.4
175.14828	3.9
184.12469	1.4
187.14821	2.5
189.16310	5.9
199.09610	3.3
199.14783	22.2
202.02579	87.2
203.02933	4.1
217.04938	100.0
217.08517	3.3
217.10611	27.9
217.15854	69.1
217.19220	13.4
218.05292	5.0
218.11078	1.2
218.16154	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	216.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.5
58.99847	0.8
70.01440	1.8
70.02933	0.6
71.02312	1.7
73.16669	0.6
76.69181	0.6
77.00898	0.6
82.99848	2.0
85.01417	0.8
88.02488	3.0
88.03984	1.4
98.97536	0.7
100.02410	0.7
101.00858	21.1
101.40926	0.5
102.04027	3.3
103.02430	5.3
112.02453	1.1
112.19479	0.7
113.00890	1.8
113.05235	0.7
116.98622	0.8
118.03513	2.0
119.01900	100.0
120.01990	3.1
120.05065	1.2
121.03465	3.5
126.03970	3.6
127.02412	1.1
130.03482	18.3
131.01897	20.0
131.03476	0.8
132.01320	0.6
134.99718	0.9
136.04492	0.8
137.02934	32.9
138.03040	0.8
140.79341	0.6
142.03462	3.4
143.52708	0.7
144.05042	53.3
145.03438	24.0
145.04688	1.0
145.05220	1.6
147.01363	2.1
148.04521	4.3
149.02927	13.8
153.05040	0.7
154.03464	3.5
154.51146	0.9
155.07021	0.9
156.01381	6.4
158.51440	0.7
160.04562	1.0
161.02928	1.5
162.06093	11.3
163.04485	14.2
165.51389	0.7
166.01321	0.7
166.51216	0.9
167.06599	1.3
168.05074	1.5
170.02960	21.0
171.01381	1.4
172.04533	7.1
173.02937	5.9
174.02461	20.5
174.06108	0.7
175.02542	1.1
177.00945	0.7
179.04021	0.8
187.51671	1.7
188.04019	28.2
189.02415	10.4
189.03996	1.0
190.05565	2.2
191.03987	6.9
192.03539	4.0
197.04108	0.9
198.02464	1.0
199.00816	4.6
202.02544	1.9
206.05037	4.9
207.03519	5.2
210.51994	1.1
211.05602	1.5
211.50101	0.9
216.03516	33.6
217.01901	12.5
217.03685	0.8
217.05086	1.3
218.52658	0.7
220.99118	0.7
223.50920	1.4
234.04585	4.1
235.02989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33064	0.4
55.01873	2.1
55.05504	1.4
56.05027	2.1
56.96555	100.0
57.03422	3.1
58.06585	1.0
58.96152	0.8
58.99863	1.6
60.04507	0.6
61.02920	4.9
66.25600	0.4
66.38359	0.6
66.64841	0.5
67.05472	0.6
68.05022	0.5
69.03416	2.0
69.07054	7.8
69.50289	2.1
69.50719	2.1
70.06581	6.0
70.98107	12.9
71.01353	0.6
71.04979	1.2
71.95254	3.7
72.04501	1.0
72.08137	5.3
72.96036	1.0
73.02912	1.9
73.06550	2.4
74.97594	4.8
75.04479	1.2
77.00889	1.2
81.03400	0.7
82.01433	1.0
82.06570	0.9
82.99838	0.9
83.00770	1.5
83.06086	0.8
84.04494	1.9
84.08129	4.5
84.96004	4.9
85.02912	2.5
86.06068	0.8
86.09691	72.4
87.10043	0.7
88.99141	8.2
89.00811	0.7
91.02442	1.6
92.01280	2.4
92.98631	1.0
94.06548	0.7
95.01953	0.8
95.04984	1.1
95.06073	1.1
96.08083	0.5
97.00587	0.5
97.02878	2.0
97.06515	7.2
97.96769	0.8
97.99178	2.1
98.06052	1.8
98.20706	0.8
98.21357	1.5
98.97568	14.7
99.02000	0.5
99.04456	0.7
99.97929	0.9
100.01057	0.7
100.02469	5.1
100.99126	5.6
101.00858	9.6
101.02410	0.5
102.02229	0.8
102.97040	0.8
103.00639	0.8
103.02397	1.2
104.01276	1.9
105.00349	1.0
105.02121	1.1
106.01020	1.3
107.00173	3.6
109.02817	0.6
110.06033	0.7
110.07151	0.8
110.97536	5.1
112.07599	2.6
112.11168	0.6
112.99129	0.5
113.00990	0.7
113.01729	2.9
113.03481	0.7
113.98605	0.8
114.04010	0.7
115.02412	1.2
116.00216	1.3
116.98607	16.8
117.01952	0.7
117.03961	0.6
117.98926	1.3
118.01022	1.2
118.03495	11.4
119.00170	7.4
119.01898	84.8
120.01962	2.4
120.03285	0.7
121.01622	2.7
122.02299	2.8
124.00999	0.6
125.02657	1.1
126.09172	0.9
126.97021	0.7
127.01544	1.1
127.03877	1.1
128.02307	1.0
128.52568	0.9
128.98582	9.7
129.10210	0.8
130.01807	0.5
130.03465	2.6
130.93266	1.4
131.00142	1.4
131.01868	6.9
131.99706	0.6
132.00711	1.0
132.01881	1.1
132.05025	2.3
132.50842	0.5
133.01645	2.3
133.03461	5.3
133.53072	0.8
134.01263	0.8
134.02182	0.6
134.99640	15.6
135.99976	1.0
136.04532	3.3
136.06172	0.9
137.01195	1.8
137.02928	48.8
138.03114	1.3
139.02631	0.6
140.00197	0.5
140.02287	0.8
141.01312	1.6
141.05072	0.6
141.51361	0.7
142.01843	1.0
142.03471	4.9
143.01895	0.6
144.03197	0.9
144.05019	2.4
144.08656	1.0
144.98074	4.1
144.99797	2.3
145.03436	1.1
146.99626	17.4
147.01323	2.7
147.98602	0.8
148.02052	0.8
148.94342	0.7
149.01172	2.1
149.02945	3.5
149.04672	0.5
150.00703	1.2
150.02956	0.6
150.06178	0.9
150.96854	1.0
151.02650	1.2
151.04462	1.4
152.02345	0.6
152.07111	0.6
153.00647	2.5
153.51602	0.6
154.02112	1.1
154.03481	1.0
155.01939	0.6
155.05559	1.2
156.01930	3.6
156.05043	2.3
158.01186	1.7
158.99582	1.1
159.01418	0.9
160.02704	0.8
160.04538	2.8
160.06371	1.9
160.97527	1.5
161.01111	1.5
161.02901	3.1
161.97871	1.0
162.01793	1.1
162.06187	0.9
162.09734	2.4
162.99121	8.2
163.02644	2.7
163.04417	0.7
165.00690	16.0
166.14931	0.5
167.02266	1.1
167.52867	0.7
167.99625	0.5
168.01709	1.7
168.05031	0.9
168.06470	0.8
168.08688	2.0
168.99837	1.2
170.01265	0.8
170.99741	0.5
171.01210	0.6
172.01437	1.1
172.02757	1.9
172.04533	3.1
172.05942	0.7
172.08153	0.6
172.94220	0.8
172.97516	5.5
173.01093	0.7
173.02853	2.4
173.06528	2.6
174.00677	0.6
174.04327	1.1
174.06201	0.8
174.99013	1.0
175.00784	0.5
175.04459	1.3
176.02220	0.7
177.00684	2.4
177.02382	2.5
178.07382	1.8
179.03830	0.8
181.00117	0.9
183.01727	5.6
184.02740	0.8
184.04585	0.7
186.06131	1.4
186.09726	40.9
187.00856	2.5
187.04460	0.6
187.09848	1.0
188.02318	0.8
188.05496	0.6
188.96997	1.2
189.00688	0.9
190.02449	0.7
190.03920	1.1
190.05591	1.6
190.07437	1.3
190.09177	0.7
190.95486	3.3
190.98599	38.1
191.02211	1.8
191.03900	5.6
191.07574	1.9
193.00214	0.9
195.03526	0.6
196.08174	1.3
197.06554	3.2
197.16496	0.5
198.02768	0.7
200.04007	1.3
204.10782	19.9
205.00162	1.0
205.10936	1.1
206.98041	1.6
207.01732	1.0
208.04915	0.6
208.96352	2.2
208.99640	20.6
209.04979	1.1
209.11292	2.4
214.00233	2.6
214.01984	0.6
214.03786	0.7
214.05524	2.8
214.07370	2.8
214.09157	18.5
214.15401	0.8
214.21571	0.8
215.00330	2.2
215.07553	4.3
215.13803	0.6
218.98169	0.8
219.01779	0.8
219.03566	0.6
223.01132	0.8
227.00655	1.7
227.12288	0.6
232.01263	1.7
232.04991	1.0
232.10284	44.0
232.96379	4.4
232.99519	1.3
233.04950	1.1
233.08572	2.9
233.10612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.00303	1.5
55.05503	11.8
56.96562	2.6
57.03426	2.4
57.07059	2.8
59.05001	3.4
67.05495	35.4
69.03419	3.2
69.07063	21.6
70.06568	4.5
71.04614	2.2
71.04981	34.8
71.69994	2.4
73.06532	3.1
79.05495	11.2
81.03396	1.9
81.07045	44.4
82.07383	1.8
83.04978	3.1
83.08619	9.2
85.02885	2.6
85.06519	4.0
88.07607	3.8
91.05462	3.1
93.07037	18.7
93.45574	1.8
95.08598	25.9
97.06525	3.1
97.10150	5.3
99.08069	4.7
105.07001	5.5
107.04932	4.5
107.08586	24.0
109.10141	100.0
110.10482	1.9
111.04446	1.8
111.08076	1.4
113.09627	2.3
118.14261	1.7
119.08573	2.7
121.06433	1.5
121.10130	32.0
123.11688	9.6
125.05904	1.6
125.09621	4.9
125.13239	3.3
127.11189	2.5
129.06941	2.2
131.04829	1.7
131.08525	2.8
133.10072	2.0
135.11679	13.3
137.13261	7.8
139.11162	3.4
140.99976	1.8
142.07733	2.5
143.08565	2.6
149.13248	2.3
153.05434	1.7
153.12724	11.1
157.06438	2.3
157.10121	4.1
158.09390	1.4
167.07080	8.5
169.07550	2.6
171.08025	1.8
171.11717	3.8
177.16371	27.3
185.09683	2.5
185.13142	2.3
195.11713	1.9
195.15718	2.5
195.17419	29.7
213.05396	1.9
213.09166	2.5
213.12595	6.0
213.16318	6.9
213.18475	11.7
214.10742	2.0
234.22462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
53.50467	0.8
55.05503	8.0
56.96552	19.2
57.03408	0.9
57.07069	4.1
61.18937	0.7
64.18082	0.7
65.90262	0.7
67.05495	7.1
69.06737	1.0
69.07056	10.0
70.91212	0.7
70.98093	2.6
71.04993	1.1
71.08614	1.9
71.50780	0.9
71.51103	1.0
74.97585	0.8
76.99685	0.8
79.05477	8.0
79.98692	0.8
81.07047	5.9
83.08615	4.7
86.15066	0.7
88.07616	0.8
88.99152	1.4
91.05470	7.4
93.07028	8.9
95.04952	1.2
95.08597	3.8
99.08055	0.8
103.05434	1.0
105.07008	49.8
107.08579	8.4
109.10117	2.0
115.05445	1.7
117.06996	3.0
119.00190	0.8
119.08557	42.2
120.08864	1.0
121.10118	9.9
122.10406	0.8
123.11692	0.9
125.09610	0.8
128.06194	10.3
129.06981	8.9
130.92818	0.7
131.00179	0.9
131.08559	2.6
133.10085	4.7
141.06961	3.4
142.07741	14.5
143.08537	50.5
144.08994	1.0
145.10098	3.9
146.99640	1.4
149.01212	3.7
149.13152	0.8
155.08475	3.2
156.09322	12.2
157.10095	49.4
158.10785	2.4
159.11644	2.3
160.07486	1.0
165.06944	1.2
167.02240	2.0
167.08960	0.7
169.10101	2.9
170.10898	4.1
171.11658	43.2
172.12209	1.4
175.02882	0.8
176.09618	2.0
176.59761	0.8
183.10292	1.4
183.11679	4.8
183.13071	0.8
184.12419	2.2
185.10014	2.0
185.13237	6.3
185.60228	1.0
192.10846	2.2
195.11639	1.8
198.13997	5.4
201.11354	3.6
201.61755	0.8
203.61755	1.1
212.62154	1.6
213.12827	3.2
213.16345	100.0
214.16733	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	213.1482
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03942	2.0
55.01864	15.1
55.05502	75.7
56.96552	0.9
57.03426	1.8
57.07065	2.0
59.04994	2.9
65.03932	0.7
65.84955	0.7
67.05492	31.2
69.03421	8.4
69.07054	15.2
70.06600	1.4
71.04981	70.7
71.37203	0.7
71.37549	1.3
72.05315	0.6
79.05480	25.9
81.03407	2.0
81.07041	33.8
83.04965	6.5
83.08606	47.8
85.02891	0.9
85.06522	7.0
87.04453	10.8
88.07606	2.0
91.05454	8.7
93.07031	19.3
95.04966	2.0
95.08588	12.0
97.06515	100.0
97.10151	65.0
98.06812	0.6
98.10500	1.0
99.04432	0.9
99.08073	1.2
101.06007	1.6
101.09643	2.2
103.05433	0.8
105.07008	5.3
107.04929	1.7
107.08575	23.5
109.06508	2.4
109.10130	17.3
109.26947	0.7
111.08076	5.7
113.05979	0.9
117.06973	5.0
119.08513	1.9
121.06490	2.8
121.10109	3.2
123.08086	0.7
123.11656	0.7
125.09614	38.7
127.07571	0.8
129.06966	1.2
131.08556	5.5
133.10110	4.3
134.99577	0.7
135.07997	7.0
135.11668	5.0
141.06996	0.8
142.07779	1.3
143.08528	1.9
143.10677	1.4
147.11708	1.5
149.09561	1.0
149.13257	4.5
153.05453	0.7
153.09053	2.3
156.09299	0.9
157.06467	0.7
157.10022	3.6
159.11613	5.1
165.05464	0.7
165.06943	1.0
167.07091	3.0
167.08333	0.8
167.14301	1.4
169.10181	1.0
171.07983	0.7
171.10245	1.1
171.11665	2.7
177.12727	8.0
185.09485	0.8
185.13185	0.9
189.11183	7.2
195.13776	44.0
213.09123	2.1
213.14793	93.8
214.15230	1.2
215.48534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	4.3
55.01866	5.2
55.05500	23.1
56.05006	4.3
56.29385	1.8
57.03426	25.8
57.07047	3.0
59.40105	1.6
60.28242	1.8
63.03962	1.6
65.03902	2.1
67.05495	82.7
68.05820	2.3
69.06724	2.9
69.07059	25.1
70.02909	2.1
71.01341	10.3
71.04973	8.5
71.70631	2.7
79.05484	69.4
81.03420	12.1
81.07050	37.0
83.04961	23.2
83.08585	6.9
85.06536	6.8
91.05464	31.3
93.07032	72.8
94.07388	2.6
95.04935	7.2
95.08595	12.8
97.06516	21.2
97.10141	8.5
99.04446	2.7
99.08049	2.8
105.07010	6.6
107.08578	46.6
109.10143	7.3
111.08059	2.6
117.07003	11.3
119.08572	14.2
121.06479	3.1
121.10124	20.2
125.09628	2.0
128.06262	1.8
129.06950	4.3
130.07764	2.9
131.08566	2.8
133.10104	5.6
135.11668	100.0
137.09613	2.7
142.07735	2.2
143.08511	6.8
145.10117	22.6
153.12685	3.1
157.10100	7.1
163.11177	14.8
171.11700	12.0
172.71338	2.0
181.12215	14.3
213.12637	2.3
213.16409	20.1
214.21527	4.8
214.60886	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	213.148
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03928	1.6
53.64930	0.8
53.76754	0.8
55.05503	19.6
57.03409	2.6
57.07061	10.1
67.05499	4.9
69.03415	2.3
69.07058	5.9
69.17423	0.9
69.57745	2.7
69.58161	5.1
77.03896	1.4
79.05467	5.4
81.07044	7.8
83.04974	10.0
85.06540	5.6
85.12672	1.0
89.22490	1.1
91.05469	5.5
93.07030	15.3
95.04966	2.1
95.08590	13.4
97.06498	6.8
105.07010	8.0
107.08582	20.3
109.06502	3.8
109.10123	3.5
111.04426	100.0
111.08061	2.6
112.04738	1.5
113.05962	2.0
117.06998	1.5
119.07832	1.1
119.08549	5.6
121.06474	3.9
121.10114	4.9
122.07202	1.2
123.08053	1.6
125.05971	31.1
125.09538	1.1
127.07526	2.5
128.06239	1.2
129.06973	1.3
130.07738	1.1
131.08542	1.0
135.08038	13.8
135.11665	21.3
135.35072	0.9
137.09587	1.0
137.13271	1.7
139.07518	4.8
142.07712	1.6
143.08560	5.2
145.10091	15.9
153.12700	5.8
156.09280	2.0
157.10126	5.6
163.11162	23.3
166.52855	0.9
169.10112	1.5
171.07880	1.0
171.11662	4.9
180.09239	1.2
181.12206	34.7
183.11653	1.1
185.09601	1.3
185.13283	1.7
195.11658	1.1
195.13770	4.4
213.13048	4.5
213.14616	1.9
213.16382	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	213.1117
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03932	1.5
55.01859	1.5
55.05503	0.8
56.96550	0.3
57.03416	0.6
58.79623	0.2
61.09829	0.2
63.84024	0.2
65.03922	0.8
67.05473	0.6
67.54751	0.3
69.03399	0.7
69.07056	0.4
69.95168	0.9
69.95583	0.7
70.06580	2.7
71.04971	0.4
72.08139	1.4
77.03905	0.3
78.04707	2.4
79.05475	9.7
81.03388	0.5
81.07027	1.4
83.04959	0.5
84.04484	0.2
85.02898	0.3
86.09702	1.3
88.07612	0.5
91.05466	4.8
92.06248	0.3
93.03379	0.3
93.07034	1.7
95.04949	4.0
95.08551	0.3
96.52204	0.2
97.02853	0.8
99.04441	0.5
103.05444	9.2
105.03337	0.3
105.04510	0.7
105.07001	5.9
106.04152	1.7
107.04932	61.6
107.08557	0.9
108.05241	0.7
109.02859	0.5
109.06497	0.9
110.03654	0.5
111.04420	0.8
115.05434	4.3
117.06961	1.2
119.04943	0.3
119.08573	0.3
120.05703	2.1
121.02914	0.3
121.06464	1.0
122.03622	0.9
123.04408	6.6
124.05200	4.1
125.05974	2.1
128.10616	0.3
131.04930	2.1
133.01712	0.2
133.02831	0.4
133.06456	0.8
134.03632	0.5
135.04393	0.6
135.08031	15.2
137.05956	1.6
139.03871	0.7
139.07516	0.4
143.08498	0.7
145.07520	1.2
147.04399	1.2
148.97363	0.6
149.05960	0.7
149.09569	0.5
151.03900	2.0
152.04665	2.6
153.05293	0.3
154.06201	2.3
161.02895	0.5
161.09607	0.3
162.03076	0.6
163.07515	24.6
164.07927	0.4
165.05449	0.7
167.07005	100.0
168.07306	1.5
177.09000	0.4
180.07782	3.2
180.09160	0.5
181.08559	0.3
182.25092	0.3
185.39928	0.2
195.10130	13.8
209.58630	0.3
212.58035	0.4
213.05464	0.3
213.09183	0.4
213.11147	2.0
213.12895	0.4
213.16136	0.5
214.10757	0.5
218.65257	0.3
233.09294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	2.6
55.01866	2.3
55.05493	2.9
56.96541	4.9
57.93197	1.2
59.06112	1.7
61.02913	7.7
65.03923	10.8
67.05486	3.8
69.03413	1.5
69.07066	3.3
70.06577	8.0
71.04994	2.1
71.68216	1.1
71.68703	2.0
72.08139	6.9
79.05483	23.9
81.03379	1.5
81.07032	2.2
83.08596	2.1
84.04511	1.6
84.08120	2.0
85.04015	1.3
86.09699	4.1
88.07614	2.8
89.03872	2.1
91.05463	4.9
93.03384	3.9
93.07037	2.9
95.04943	5.5
95.08584	1.9
97.06528	2.2
99.05527	1.5
105.03383	1.7
105.04466	1.4
107.04935	32.0
107.08585	3.7
108.02029	2.1
109.02853	1.4
110.03643	27.6
110.07208	1.6
111.04431	18.2
114.06626	1.3
116.98567	1.6
117.03358	1.7
119.04910	1.7
121.06469	11.3
121.10219	1.2
122.03614	6.3
125.05972	63.1
129.06915	1.4
130.96286	1.7
133.02824	13.1
135.03465	2.0
135.04404	26.1
137.05946	5.3
138.06573	1.4
141.05466	6.8
143.08507	2.0
148.97328	5.0
149.05962	24.7
150.03099	12.5
151.03889	100.0
151.04990	9.5
152.04268	2.9
153.05472	13.8
153.09087	1.5
157.10077	1.8
162.03139	1.6
163.03877	9.5
165.05450	39.2
166.05812	1.6
167.07028	15.9
177.05441	21.5
185.13255	2.3
189.97594	2.2
195.06490	11.1
195.11710	1.6
213.05583	1.5
213.07475	4.8
213.09381	1.6
213.12936	1.6
232.50740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03930	4.0
55.01852	2.9
55.05488	6.0
56.96539	8.6
57.07078	1.7
61.02928	8.8
65.03927	9.9
67.05487	6.9
69.03419	2.9
69.07047	4.8
69.63493	13.6
70.06583	9.8
71.04992	3.0
72.04481	2.4
72.08145	14.1
79.05480	23.2
81.07049	3.4
83.01321	3.4
83.04977	2.8
83.06126	1.7
83.08601	3.1
85.02885	2.2
86.09698	17.4
88.07616	4.8
91.05462	6.3
93.03398	5.8
93.07034	4.7
95.04950	7.6
95.08569	4.0
97.02850	2.9
97.06527	3.4
98.20657	3.0
98.97556	3.1
100.07585	2.1
101.14928	1.9
104.89686	1.7
107.04938	27.9
107.08577	3.8
108.02043	2.5
108.08099	2.0
109.06464	2.6
110.03651	25.5
111.04425	19.4
111.05542	1.8
116.98606	3.1
117.03374	2.1
121.06467	11.0
121.10131	3.3
122.03651	4.2
125.05978	62.6
125.06908	4.2
129.06998	2.1
133.02824	13.2
135.04395	28.2
137.05960	6.6
139.05058	2.2
141.00050	2.1
141.05450	7.1
142.06001	1.8
143.08478	2.1
148.97337	5.8
149.05960	23.0
149.09625	3.1
150.03102	10.1
150.06485	1.8
151.03896	100.0
151.04991	9.6
152.04509	2.0
153.05464	15.9
153.09044	2.5
157.10181	2.3
162.03084	2.7
163.03882	6.6
165.05455	39.2
167.07025	19.4
169.07643	2.1
173.75143	1.9
177.05447	21.5
180.73247	1.7
181.04909	3.2
195.06471	14.7
213.05602	3.1
213.07498	5.2
213.09390	1.9
213.12752	4.9
214.10707	2.4
230.18752	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59297	1.0
52.49212	0.9
53.03934	1.7
55.01851	1.5
55.05501	16.8
56.96535	1.5
57.03429	4.9
57.07070	6.5
59.04981	2.7
65.03937	1.9
67.05492	34.7
69.03414	10.6
69.07057	18.5
71.04977	5.1
71.36728	2.3
78.04687	1.0
79.05478	9.1
81.03405	5.3
81.07040	29.4
83.04968	16.2
83.08611	12.1
85.06501	5.0
91.05465	12.8
93.07032	15.7
95.04951	8.1
95.08588	42.1
95.09201	2.0
97.06489	2.6
97.10145	2.4
99.08076	5.4
103.05371	1.1
103.23157	1.3
105.07020	11.6
107.04932	1.0
107.08577	25.7
109.06490	16.5
109.10136	100.0
110.10451	1.5
111.08066	4.8
112.98862	0.9
113.05985	1.1
113.09604	1.2
117.06940	1.4
117.50952	1.0
119.08561	23.3
121.06485	2.3
121.10132	11.2
123.04400	4.0
123.08043	19.3
123.11679	9.8
124.05143	1.1
125.09607	4.2
127.11189	1.3
129.07063	1.0
131.08553	2.0
132.24104	1.2
132.70680	0.9
133.09169	1.6
133.10112	20.5
134.09355	1.0
135.11668	66.1
136.11975	1.0
137.05898	1.2
137.09592	18.9
138.10341	1.1
139.11159	3.8
147.11664	3.3
149.05968	1.3
149.09602	1.4
149.13228	4.9
151.03864	2.1
151.11160	11.0
151.14786	11.8
153.06897	1.6
153.12733	2.7
155.08484	1.4
157.10109	1.8
165.12747	1.5
165.16383	2.5
167.07008	28.3
168.05624	1.0
169.10159	1.7
175.14799	19.6
179.01634	1.1
179.07132	1.6
181.08595	1.4
181.10120	2.0
183.11482	1.4
193.08516	2.0
193.12227	2.8
193.15860	15.7
211.07640	1.1
211.11189	2.3
211.14812	1.5
211.16881	2.1
221.96449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01868	1.0
55.05504	16.2
57.03437	1.2
57.07057	3.7
58.78972	0.9
59.04989	2.2
62.21823	1.0
65.03918	1.2
67.05498	32.6
69.03425	10.7
69.07060	16.8
71.04980	3.7
71.08641	1.4
71.24723	1.8
79.05488	7.0
81.03411	1.8
81.07048	27.5
83.04974	14.8
83.08602	9.8
85.06533	4.4
91.05470	7.5
93.07036	12.7
94.07332	1.0
95.04967	3.7
95.08595	39.7
95.09203	2.2
97.06519	1.9
97.10156	3.5
99.08076	3.9
105.07011	8.1
107.07919	0.6
107.08580	27.1
109.06499	14.0
109.10145	100.0
110.10460	1.6
111.08084	2.8
113.09650	2.9
119.08561	24.2
120.09418	1.1
121.10122	13.5
122.07221	1.2
123.04435	2.0
123.08054	17.3
123.11685	8.9
125.09616	2.5
133.10121	21.5
135.11673	70.6
136.12048	1.7
137.09599	15.9
139.11188	1.6
141.44115	1.1
147.11639	2.0
149.13268	4.8
151.11125	10.8
151.14769	12.9
152.09473	1.0
153.12746	2.7
165.16396	2.3
167.07042	12.3
169.10229	1.2
175.14821	19.2
183.11624	1.2
183.15631	1.4
193.15863	17.7
211.14906	1.8
211.16888	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	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01855	5.4
55.05499	45.3
56.96568	1.1
57.03429	10.6
57.07063	5.3
59.04986	3.9
61.58356	0.9
65.03918	3.9
67.05492	52.5
69.03417	16.0
69.07051	25.2
69.92005	6.4
71.04985	8.0
71.08628	1.4
72.80351	1.1
78.04712	1.0
79.05479	35.6
81.03401	84.1
81.07041	62.1
82.03700	1.5
83.04966	50.9
83.08606	35.8
83.15530	1.1
85.02879	2.6
85.06525	7.3
87.08099	1.4
91.05460	38.2
93.03407	1.3
93.06432	1.4
93.07025	29.3
95.04947	32.8
95.08585	52.0
97.02887	2.7
97.06506	9.2
97.10162	10.0
99.04461	1.3
99.08068	5.2
103.05428	2.3
105.04472	1.2
105.07008	28.0
106.04115	1.2
107.04973	7.6
107.08575	36.4
109.06503	21.2
109.10133	100.0
110.10487	2.4
111.04417	2.4
111.08057	13.8
111.77100	1.1
113.09646	2.1
115.05436	1.9
115.51350	1.1
117.07034	1.9
119.04922	1.4
119.08554	44.2
121.06520	4.3
121.10129	18.4
121.86558	1.0
123.04415	4.4
123.08047	21.3
123.11681	11.4
124.05164	1.4
125.05979	1.1
125.09605	3.6
129.06975	10.0
131.08530	9.8
133.06468	4.5
133.10106	29.9
135.08070	1.4
135.11664	70.7
136.11978	1.2
137.05942	2.7
137.09590	18.3
139.11162	3.8
142.07750	2.3
145.10103	2.4
147.08022	4.0
147.11659	12.4
149.05917	4.4
149.09595	8.9
149.13258	5.9
151.11145	10.9
151.14790	12.7
153.12711	3.4
155.08543	2.2
157.10081	12.9
165.12749	3.5
165.16350	3.0
167.07011	30.1
167.10674	1.7
168.07373	1.9
168.09329	1.5
169.04814	1.2
169.09988	1.8
175.11179	15.8
175.14792	22.9
178.83107	1.1
179.07039	2.0
181.08563	3.0
183.11635	1.7
193.10309	1.9
193.12221	27.6
193.15842	18.2
194.12613	1.2
211.05836	1.4
211.07721	2.6
211.11208	4.3
211.13263	12.5
211.16756	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03922	2.1
55.01854	2.1
55.05501	13.0
56.96537	1.3
57.03428	5.9
57.07055	4.0
59.04975	1.6
63.08674	0.9
65.03916	0.8
67.05495	27.7
69.03416	10.1
69.07056	16.1
69.93278	5.8
71.04958	4.9
71.08603	2.1
76.80458	0.9
78.04693	2.5
79.05474	10.6
81.03413	6.5
81.07047	29.7
82.38071	1.0
83.04967	16.3
83.08617	10.2
83.59822	1.0
85.02873	1.5
85.06519	4.2
91.05460	10.8
93.07030	14.9
95.04945	7.5
95.08588	36.1
97.02878	1.5
97.06525	4.7
97.10145	3.2
99.04420	1.3
99.08085	4.8
103.05402	2.4
105.07020	11.3
106.04171	2.5
107.04929	1.7
107.08577	24.5
109.02873	1.6
109.06509	13.8
109.10136	87.7
110.10516	1.2
111.04443	1.6
111.08065	4.7
111.11755	1.0
113.05966	0.9
113.09612	1.9
119.04917	1.4
119.08562	21.3
121.06469	3.6
121.10120	12.0
123.04418	10.4
123.08047	15.8
123.11698	8.9
124.05155	2.2
125.09602	5.1
133.06454	1.2
133.10109	20.0
135.08028	1.6
135.11671	59.4
136.12079	1.1
137.05998	1.6
137.09589	16.2
139.11182	2.0
141.06911	1.1
141.09093	1.3
142.07767	0.9
147.11673	3.7
149.05948	2.6
149.09612	1.1
149.13242	4.7
151.03903	2.1
151.11151	10.9
151.14803	11.6
152.04654	1.8
153.06940	1.9
153.12733	2.9
155.08513	1.1
157.10074	1.7
163.97687	1.2
165.12685	0.9
165.16333	3.5
167.07016	100.0
168.05833	1.1
168.07352	3.9
168.09277	1.5
169.10060	1.4
169.12178	1.1
175.11227	1.7
175.14799	19.2
179.07027	2.9
181.08585	3.1
183.11670	1.3
193.08556	2.8
193.10197	0.9
193.12210	2.7
193.15846	14.5
194.16039	1.0
211.07628	2.0
211.09377	1.7
211.11130	2.7
211.13014	1.3
211.14830	2.6
211.16899	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	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27497	0.8
53.98130	0.8
54.38645	0.9
54.89887	0.9
55.01848	2.6
55.05503	17.2
56.96553	1.4
57.03426	6.3
57.07070	5.1
59.04977	1.8
61.02905	0.9
65.03920	1.7
67.05142	1.9
67.05495	35.9
69.03418	9.9
69.07059	19.3
70.06577	2.2
70.29833	4.0
71.04977	5.3
71.08619	1.9
73.06530	0.9
77.03896	1.0
78.04684	2.4
78.14817	0.9
78.74271	1.0
79.05470	9.1
81.03407	5.3
81.07042	33.2
83.04962	14.1
83.08602	11.7
83.27080	0.9
84.08115	1.6
85.02855	1.5
85.06538	5.2
87.65577	0.9
91.05465	10.3
93.07029	16.9
95.04947	6.1
95.08588	45.0
96.64247	0.9
97.06497	3.6
97.10153	2.7
98.20779	1.1
99.08059	4.1
103.05450	2.7
103.06119	1.0
105.07014	11.8
106.04147	2.2
107.04957	1.8
107.08572	26.7
109.02937	1.0
109.06498	16.2
109.10137	100.0
111.08094	4.5
113.09646	1.3
117.06963	1.4
119.08566	24.2
121.06477	2.7
121.10133	12.8
123.04398	7.9
123.08060	16.5
123.11683	10.4
124.05223	1.3
125.09601	4.1
126.04076	0.9
127.11151	1.2
129.06960	1.3
129.13864	1.0
131.08533	2.4
133.06476	1.8
133.10107	20.1
135.11671	66.2
136.11998	1.7
137.05945	1.7
137.09590	16.5
138.10432	1.0
139.11168	3.1
147.11655	2.2
149.05925	3.5
149.09554	1.3
149.13266	6.3
151.02068	1.9
151.03920	1.8
151.07562	1.9
151.11159	10.7
151.14792	9.9
152.04643	1.4
153.12686	2.8
155.08603	1.8
161.05992	1.0
165.06856	1.0
165.09077	1.1
165.12744	1.6
165.16324	2.7
167.07019	68.6
168.07365	2.5
168.09303	1.3
169.10129	1.7
175.11215	1.2
175.14795	17.8
179.01576	1.4
179.07013	2.9
181.08609	2.1
183.06540	1.1
183.08067	1.1
183.11710	1.9
190.04510	1.0
193.08568	1.7
193.10225	1.5
193.12221	2.7
193.15840	17.3
211.05812	1.6
211.07562	2.7
211.09337	1.7
211.11125	3.0
211.14880	1.9
211.16783	1.4
220.03235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03919	1.4
55.01864	2.4
55.05508	7.2
56.96551	3.4
57.03423	3.8
57.07063	3.0
59.04979	2.6
59.11732	1.2
60.71671	1.1
67.05491	18.6
68.99789	7.2
69.03417	4.2
69.07055	15.9
69.69442	1.3
70.05521	6.6
71.04983	2.6
71.08625	2.1
71.85810	1.1
73.06544	3.9
75.04468	13.6
78.04718	1.4
79.05479	7.8
81.03407	6.6
81.07046	34.3
83.04972	6.8
83.08610	3.1
84.96053	1.1
85.02870	2.7
85.06533	11.1
86.09743	1.1
91.05463	11.4
93.07030	11.0
95.04955	88.9
95.08592	33.2
97.06516	2.7
99.04443	4.6
105.03387	1.6
105.07005	8.2
106.04173	1.6
107.04982	2.2
107.08578	8.7
109.06465	7.0
109.10137	24.5
111.04441	2.2
111.08081	3.5
116.00240	1.4
119.04961	2.2
119.08558	8.0
119.71165	1.1
121.06496	8.1
121.10123	2.0
123.04407	7.9
123.08061	3.3
123.11687	100.0
125.02319	1.8
129.06956	2.7
133.06506	1.4
133.10118	12.9
135.08070	1.3
135.11670	2.3
137.05963	3.3
137.09598	39.8
139.07532	16.0
143.08574	2.6
147.11661	3.3
149.05882	1.7
149.09540	1.6
151.07547	2.9
151.11151	14.6
153.06926	1.9
155.08504	2.8
157.10085	2.1
157.19130	1.1
161.09621	5.3
165.07364	1.3
165.09064	1.8
167.07025	33.2
168.09369	2.1
169.10098	4.3
169.12241	4.0
179.07108	2.0
179.10645	58.6
181.10104	1.9
183.11696	3.2
193.08514	1.4
193.10214	1.5
193.12271	3.3
196.12408	2.9
211.07597	3.8
211.09421	1.6
211.11156	5.0
211.13022	2.7
211.14781	4.9
212.05299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03927	8.6
55.01873	10.4
55.05505	48.2
56.96551	7.4
57.03425	25.0
57.07047	5.4
58.69148	1.9
59.04971	2.0
61.47795	1.9
64.68643	1.7
65.03922	2.7
65.42794	2.1
67.05498	50.3
69.03419	13.9
69.07063	17.8
70.06571	3.4
71.04975	12.1
71.70908	3.6
77.39223	1.8
78.04704	3.1
79.05482	46.9
81.03407	100.0
81.07046	60.0
83.04969	55.5
83.08607	38.7
85.02907	5.6
85.06519	7.3
91.05465	48.3
93.07027	34.5
95.04953	45.4
95.08592	36.9
97.02865	4.3
97.06512	12.1
97.10160	11.0
98.97569	2.4
99.04439	2.4
99.08071	4.2
103.05476	3.6
105.07007	35.5
107.04942	10.2
107.08018	2.2
107.08591	26.4
109.02851	3.8
109.06522	14.9
109.10145	38.7
111.04449	4.3
111.08072	25.1
115.05453	3.3
117.06988	2.2
119.04921	2.1
119.08570	34.8
121.06475	8.5
121.10133	19.6
123.02618	2.2
123.04439	11.4
123.08053	23.7
123.11681	8.8
125.09624	9.0
127.07470	2.0
129.06981	12.0
131.08536	12.1
133.06494	4.9
133.10114	26.3
135.07939	2.5
135.11678	19.4
137.05974	4.8
137.08595	2.6
137.09596	34.3
137.13245	2.9
138.10373	2.2
139.11076	4.6
141.06989	3.0
142.07776	5.2
145.10030	3.0
147.08041	4.3
147.11656	18.0
149.05978	8.0
149.09598	8.8
149.13203	5.2
151.03870	3.4
151.07549	4.7
151.11143	4.0
151.14751	2.9
152.04742	1.8
153.05453	2.4
153.06976	3.1
155.08524	7.8
157.10094	17.9
157.32814	1.9
161.05893	2.2
163.97760	1.8
164.96672	2.1
165.06979	2.7
165.12743	8.3
165.16277	2.3
167.07022	79.9
167.10719	4.6
167.84012	1.9
168.07297	2.1
168.09331	5.2
169.10043	5.1
170.05811	2.3
175.11157	18.5
175.14798	17.9
179.06985	3.8
181.08542	4.5
181.10069	3.7
183.06467	2.6
183.11653	4.7
193.08572	3.7
193.10327	4.4
193.12198	37.0
193.15857	11.9
196.08716	3.2
211.05798	3.3
211.07556	7.5
211.09428	3.3
211.11174	4.9
211.12973	17.8
211.14850	10.4
211.16873	5.8
223.85721	1.9
229.07234	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	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.00298	1.0
53.03941	5.6
53.82329	1.0
55.01867	7.4
55.05501	43.0
56.96560	5.1
57.03428	9.3
57.07058	2.0
59.04984	1.4
60.46450	1.0
65.03911	2.3
66.96758	0.9
67.05137	2.2
67.05486	32.6
68.05807	1.8
68.99802	1.1
69.03411	9.3
69.07053	12.4
70.06580	1.1
71.04973	5.5
71.08587	1.0
71.71178	1.3
71.71583	1.8
73.06545	2.2
79.05019	2.2
79.05477	37.3
80.05801	1.7
81.03400	100.0
81.07042	41.1
83.04963	54.2
83.08599	32.8
85.02890	2.6
85.06512	3.0
87.04432	1.4
91.05462	41.4
93.07027	23.7
93.07610	0.7
94.07370	1.6
95.04949	34.6
95.08583	19.6
95.26998	1.0
96.08922	1.3
97.02863	4.6
97.06519	5.5
97.10143	7.1
98.06052	1.6
99.04437	1.7
99.08061	2.5
104.78634	1.3
105.07012	31.3
107.04917	7.8
107.08559	12.9
108.08892	1.4
109.06489	8.4
109.10118	2.9
111.04391	4.8
111.08068	10.3
113.05938	1.7
115.05453	1.3
117.06954	3.1
119.08558	21.5
121.06483	2.1
121.10117	8.9
123.07221	1.0
123.08016	4.8
123.11663	3.1
125.05981	1.6
125.09616	3.0
127.07529	1.5
129.05502	1.0
129.06970	13.3
131.08540	16.3
133.06461	3.5
133.10107	12.3
135.08076	2.2
135.11674	3.6
137.09569	3.6
139.47548	1.2
141.06866	1.3
142.07729	4.1
145.10042	3.6
147.08020	4.5
147.10635	1.3
147.11662	16.8
149.09576	8.5
151.11157	3.4
153.06902	1.6
155.08528	4.4
157.10104	17.2
163.11156	1.2
165.12753	4.1
167.06990	3.9
167.08415	1.1
168.09271	2.4
169.10107	5.5
175.11154	14.3
181.10077	1.7
183.06558	1.6
183.11676	3.5
193.10274	1.8
193.12196	31.8
195.57909	0.9
196.08850	1.1
196.12383	1.3
204.09842	1.0
204.60484	1.0
211.07629	2.4
211.11098	5.9
211.13234	14.8
211.14813	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	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02364	0.9
53.03941	4.8
55.01869	5.6
55.05503	40.3
56.21535	0.9
56.96566	1.8
57.03430	10.1
57.07060	4.4
59.04985	3.3
65.03938	1.9
67.05493	54.3
69.03421	16.3
69.07059	23.3
69.92675	6.4
70.06584	1.0
71.04992	8.0
71.08620	1.8
73.06531	0.9
75.09734	1.0
78.04677	1.5
79.05479	32.5
81.03405	79.7
81.07043	57.2
83.04967	48.9
83.08607	35.1
85.02886	2.4
85.06516	6.2
87.04444	1.1
91.05470	34.6
91.06042	1.8
93.07034	26.6
95.04951	31.4
95.08591	50.9
95.71557	1.0
96.05804	0.9
97.02876	3.6
97.06526	7.4
97.10155	8.8
98.21394	1.0
99.04446	1.1
99.08058	4.5
103.05455	1.7
104.83409	0.9
105.07011	29.6
106.04248	1.5
107.04966	7.5
107.08576	30.9
109.02839	1.4
109.06500	19.6
109.07201	1.5
109.10137	100.0
111.04436	2.1
111.08059	16.5
113.09637	1.6
115.05403	1.6
117.06985	2.3
119.04904	1.3
119.08561	40.1
121.06493	4.5
121.10124	18.8
123.04424	4.7
123.08053	18.3
123.11686	10.0
125.09607	5.6
127.03831	1.0
129.06992	8.8
131.08537	10.0
133.06494	2.9
133.10104	30.0
135.11671	69.1
136.12000	1.1
137.05995	2.1
137.09595	17.2
139.11163	2.6
141.07033	1.7
142.07761	2.6
145.10123	1.2
147.08028	2.5
147.11661	14.0
148.12068	1.1
149.05956	3.4
149.09587	7.8
149.13240	6.6
151.03918	1.6
151.11165	11.3
151.14804	8.9
153.12729	2.2
155.08513	1.2
157.10109	11.6
165.09114	1.1
165.12752	4.1
165.16364	2.1
167.07016	34.0
168.07306	2.0
168.09370	1.3
175.11156	14.7
175.14784	17.4
181.08598	3.2
181.10133	1.4
183.11609	1.7
193.12198	28.7
193.15872	13.3
203.45244	1.0
211.05814	1.9
211.07680	2.2
211.11186	3.2
211.13260	13.5
211.14903	1.5
211.16780	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	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.00304	1.1
53.03936	5.0
55.01858	23.5
55.05505	11.9
56.96538	4.5
57.03421	5.3
57.07050	1.8
65.03930	7.6
67.05493	40.6
69.03417	27.1
69.07044	4.8
70.06564	2.5
71.01337	6.9
71.04970	4.4
71.36999	2.2
77.03889	1.9
78.04691	2.0
78.32591	1.0
79.05476	15.2
79.68356	1.0
81.03404	15.6
81.06606	1.5
81.07043	21.4
83.01332	6.8
83.04964	7.6
83.08594	3.0
85.02886	1.8
85.06507	1.8
86.09668	1.2
91.04915	1.8
91.05462	23.7
93.03365	3.8
93.07014	14.1
95.04951	58.3
95.08587	13.4
97.02861	3.2
97.06500	3.7
99.04420	4.4
101.02338	2.2
103.05439	2.1
105.03365	3.2
105.04511	1.6
105.07006	12.3
107.04914	4.7
107.08578	5.5
109.02835	4.7
109.06499	7.4
109.10149	5.6
111.04413	4.4
111.08059	2.7
113.02341	5.9
113.05989	1.6
117.01797	3.6
117.06989	3.9
119.04866	1.7
119.08543	14.6
120.08154	1.0
121.06491	9.9
121.10110	2.6
123.04411	57.5
123.08050	7.8
123.11646	2.3
125.02334	14.3
127.03895	3.1
128.06227	1.2
129.06223	1.0
129.06981	8.8
131.08531	1.8
133.02824	4.8
133.06429	3.0
133.10094	5.0
135.08014	4.1
135.11612	1.1
137.05951	3.8
137.09575	4.7
138.03099	2.0
139.03847	7.5
141.06920	1.5
142.07680	1.5
143.03401	6.5
143.08487	1.2
147.08057	7.7
147.11658	3.3
149.06009	5.1
149.09503	1.4
150.03017	1.7
151.03877	100.0
151.07489	3.8
151.11142	2.8
152.04536	1.7
153.06950	2.5
155.03337	4.6
155.08517	4.9
156.04042	1.4
157.06380	3.1
157.10097	3.0
164.04721	1.2
165.05394	2.0
165.06946	1.6
165.09091	5.9
165.12656	1.3
167.07024	39.3
167.08502	2.5
168.07393	1.4
168.09282	3.4
169.04941	49.2
169.10129	3.6
175.07520	1.9
175.11089	1.3
175.14815	1.6
179.07034	1.5
181.08501	2.5
181.10036	2.6
183.11671	5.2
193.08556	32.8
193.09995	1.9
193.12231	4.3
194.08900	1.3
196.08858	2.1
196.12439	2.2
211.07896	3.7
211.09592	82.9
211.14951	6.0
211.16515	2.0
212.09943	1.8
218.94293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02369	0.7
53.03512	0.7
53.03928	3.2
54.89888	0.6
55.01643	0.8
55.01865	10.9
55.05485	2.1
57.03423	1.5
57.12131	0.6
59.04990	0.9
63.02345	0.9
65.03917	5.8
66.04669	1.0
66.71933	0.7
67.05499	4.7
69.03408	2.7
69.07038	1.2
69.97673	1.2
69.97960	4.5
70.06575	1.3
71.04986	1.0
78.04689	1.7
78.83850	0.7
79.05476	15.0
81.03395	2.8
81.07043	4.4
83.04962	1.0
83.08601	0.8
85.02901	1.4
87.90375	0.7
90.04686	0.8
91.05466	92.5
92.05796	1.2
93.07034	7.8
94.04177	1.9
95.04955	14.4
95.08575	2.1
96.05721	1.0
97.06525	1.3
103.05448	12.2
105.03377	16.9
105.04504	2.0
105.07011	16.8
106.04144	1.2
107.04939	39.3
107.08602	1.1
108.05721	3.3
109.06501	23.9
109.10129	1.3
111.04445	1.1
115.05450	1.8
118.04160	4.7
119.04924	100.0
119.08584	1.1
120.05147	0.9
121.06487	27.6
122.03615	0.9
122.07246	1.1
123.04408	7.3
123.08057	11.9
123.11666	0.9
124.05196	2.5
124.12241	0.7
125.02290	0.8
125.05959	1.8
125.09630	3.5
131.04897	1.5
133.06468	15.5
133.10075	0.9
134.03615	14.9
135.04416	3.3
135.08029	2.7
136.05183	2.7
137.05948	8.7
140.04648	1.8
147.03334	0.6
147.04379	17.1
147.11694	0.8
148.04927	0.7
149.05959	35.5
150.06627	0.8
151.03906	4.6
151.07516	50.3
152.04701	1.8
152.07915	1.0
153.05446	16.6
155.08514	1.1
161.05951	8.0
161.06993	1.0
165.05470	3.2
166.06242	2.3
167.07019	46.0
168.07794	10.2
179.06998	17.0
179.08469	1.3
180.07698	1.0
181.08565	8.0
181.09984	1.1
183.11647	1.1
193.08647	2.1
196.07310	3.4
211.07790	1.3
211.09587	19.5
211.13052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01857	0.6
55.05489	1.2
56.96561	0.5
57.03422	1.1
57.07057	0.4
58.06578	0.3
66.95651	0.3
67.05498	2.2
69.03403	0.9
69.07055	1.2
69.77864	1.3
69.78291	0.8
70.06580	0.3
71.04972	0.5
71.08649	0.3
72.08116	0.4
77.31573	0.2
78.04697	3.4
79.05472	2.6
81.03398	1.3
81.07043	2.8
83.04955	1.2
83.08603	0.6
84.08154	0.3
85.02879	0.8
90.78836	0.2
91.05453	2.9
93.07031	1.9
95.04957	2.3
95.08583	1.9
96.05724	0.6
96.62360	0.3
97.02874	0.6
97.06519	0.6
98.21490	0.3
99.04449	0.3
103.05460	1.2
105.03369	0.6
105.04433	0.3
105.07015	2.1
106.04160	1.8
107.04944	1.4
107.08598	1.3
109.02858	0.4
109.06512	1.5
109.10143	2.7
111.04440	0.3
111.08043	0.4
117.07005	0.3
119.04970	0.3
119.08560	1.4
121.06487	1.4
121.10074	0.5
122.03596	0.5
123.04413	9.0
123.08018	0.9
123.11659	0.6
124.05191	3.4
125.02312	0.3
125.09631	0.6
129.06999	0.4
133.06461	1.1
133.10114	1.2
134.03540	0.4
135.08038	0.3
135.11690	2.2
137.02315	0.3
137.06007	1.5
137.09575	0.6
139.07512	0.3
141.06943	0.4
147.11664	0.6
149.05930	2.3
151.03893	2.3
151.07503	0.4
151.11115	0.6
151.14790	0.3
152.04643	2.1
152.06998	0.3
153.06860	0.3
154.07634	0.3
155.08554	0.5
157.10185	0.3
161.05943	0.7
165.05484	0.4
166.06226	0.7
166.58928	0.3
167.07013	100.0
168.07356	2.4
168.09375	0.4
169.10217	0.3
173.26784	0.3
175.14746	0.5
179.06987	0.9
180.15831	0.3
181.08566	2.1
182.10703	0.3
183.06555	0.4
183.08128	0.3
193.04854	0.3
193.08574	1.8
193.10114	0.3
193.12222	0.5
193.15826	0.3
207.62642	0.3
211.05911	0.4
211.07697	0.5
211.09543	0.7
211.11327	0.6
211.14833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0598
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.03946	0.9
53.21820	0.6
53.74339	0.6
55.01869	1.4
55.05506	2.7
56.96562	1.6
57.03429	2.3
59.06109	0.7
67.01852	3.0
67.05499	2.8
68.69467	0.7
68.99777	4.9
69.03416	2.3
69.07048	1.4
70.06592	2.5
71.04974	1.3
71.69231	0.9
72.08151	2.1
77.03927	0.7
78.04700	0.9
79.05462	3.2
81.03406	3.6
81.07029	3.1
83.01358	0.8
83.04980	3.2
83.06078	0.8
83.08630	0.9
84.08192	0.7
85.02888	23.1
86.09713	1.1
91.05464	11.2
91.24787	0.6
93.07040	3.2
94.06552	0.7
95.04948	6.6
95.06031	0.8
95.08607	1.6
97.02880	0.7
97.06513	1.3
99.04431	0.8
100.62488	0.6
103.05458	1.6
105.03375	3.3
105.07007	1.6
106.04195	0.8
107.04945	1.9
107.08573	1.4
109.02855	9.5
109.06509	2.0
109.07677	0.8
109.10139	1.2
111.08058	0.7
116.98582	0.8
119.04905	4.8
119.08553	1.8
121.02793	0.8
121.06479	2.2
123.04410	21.1
123.05378	1.0
123.08046	2.1
124.05251	1.0
125.02428	0.6
125.06005	1.2
125.09654	0.9
127.03906	4.2
131.08519	1.1
133.02841	2.7
133.06506	1.1
137.05957	2.6
141.05446	1.4
144.86597	0.7
147.04384	20.9
147.07994	0.8
147.11649	1.0
148.04745	0.7
149.05945	2.7
151.03883	41.9
151.07498	1.0
152.04311	0.8
155.08434	0.9
157.10074	0.7
161.06032	0.6
163.97711	1.1
165.05461	17.1
165.07047	0.9
165.07396	0.8
165.09024	1.4
166.06161	0.7
167.07018	30.0
168.09265	1.4
169.04912	4.9
169.10117	0.7
175.03888	9.1
175.11148	0.9
181.08574	2.5
183.11650	1.5
193.04936	100.0
194.05241	1.6
205.98770	1.1
211.05978	40.0
211.09370	1.4
211.11327	1.5
211.16946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62930	14.2
70.45122	63.5
94.92957	21.1
110.04021	14.5
120.94560	25.3
128.98582	18.0
142.03459	29.3
160.04514	46.8
210.94032	100.0
229.06667	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
55.01859	17.0
55.05486	8.0
56.05014	1.7
56.96555	94.8
57.03426	36.1
57.07057	3.2
58.06582	2.2
58.99841	6.8
59.04973	2.7
60.04514	2.1
61.02914	35.1
65.03918	2.3
67.05480	7.1
68.05015	4.9
68.99767	9.2
69.03419	24.1
69.07053	4.1
70.06574	9.2
70.98105	10.3
70.99847	2.0
71.01324	5.1
71.04971	5.3
71.95242	4.4
72.08135	4.0
72.96024	2.4
73.02905	44.0
73.09254	1.7
74.06036	2.5
74.97571	4.5
75.04463	3.4
77.00877	11.5
79.05460	5.8
81.03401	13.7
81.04516	3.8
81.07030	6.5
82.01432	2.7
82.06588	2.1
82.99884	2.2
83.04954	7.7
83.06084	4.1
84.04512	3.8
84.08147	9.0
84.96002	4.8
84.99256	3.4
85.02891	44.4
86.03654	2.9
86.09702	3.5
86.99279	3.6
87.00819	2.5
87.04452	12.0
88.99128	7.8
89.00787	4.0
90.02399	3.3
91.00513	2.6
91.02445	7.4
91.05450	8.9
92.86279	2.0
93.07015	2.9
95.00712	1.9
95.01315	3.4
95.01940	4.6
95.04932	3.4
95.06068	6.4
95.08565	3.6
96.01522	1.8
96.06378	2.3
97.02879	27.6
97.07596	2.3
97.99162	3.7
98.01269	2.9
98.02140	1.9
98.97572	32.8
99.04414	6.0
100.02470	12.2
101.00850	12.9
101.02423	3.6
102.02241	5.2
102.97050	2.0
103.01363	3.7
103.02433	12.9
103.03963	2.4
105.00311	12.0
105.02109	2.9
105.07026	2.7
106.00983	5.3
107.00159	2.3
107.01755	1.9
107.04923	2.7
108.02336	2.1
109.00480	2.7
109.02831	10.2
109.03475	4.3
109.06460	3.5
109.10126	2.7
110.01231	6.3
110.02130	8.2
110.07108	2.6
110.97559	4.9
111.00205	6.5
111.02894	7.7
112.00999	4.4
112.07601	13.3
112.11230	2.5
113.00864	12.3
113.01554	2.9
113.03384	2.2
114.00800	2.6
114.04008	4.4
115.01412	4.0
115.02396	10.5
115.03893	3.0
116.00195	4.0
116.01312	2.8
116.02118	7.7
116.52110	2.1
116.98605	30.4
117.00201	3.4
117.01833	24.0
117.02703	2.9
117.03952	5.9
118.01013	7.0
118.01809	2.3
118.03500	13.5
119.00127	2.3
119.01874	68.2
119.02660	14.9
119.03506	4.3
119.04905	4.2
119.08531	3.7
119.52755	3.4
120.00733	4.5
120.01923	4.2
120.03286	4.2
120.04368	2.0
121.01567	11.0
121.03462	11.6
121.52912	1.9
122.02106	3.7
123.02943	3.0
123.04381	3.3
123.07996	2.0
124.01862	7.0
125.01796	2.5
125.02640	37.9
125.52753	9.6
126.00732	7.0
126.02534	2.9
126.03395	1.9
127.01507	11.7
127.02376	3.7
127.03914	14.4
128.02182	7.0
128.98573	13.1
129.01881	4.4
129.02869	3.6
129.03966	4.4
129.10181	2.3
130.01846	7.7
130.53387	2.1
131.01862	100.0
131.02632	9.1
131.52731	2.8
132.01878	3.4
132.03447	3.2
132.05025	6.7
133.01543	5.4
133.02382	4.7
133.03410	28.7
133.10165	1.7
134.02158	2.7
134.03561	4.1
134.05942	3.7
134.99626	24.3
135.01251	4.8
135.03069	2.2
135.04971	5.0
136.01926	2.6
136.04512	2.2
136.53394	4.4
136.99980	3.0
137.02802	36.0
137.05904	9.9
137.51544	2.6
137.52707	5.0
138.00719	2.7
138.52411	2.7
138.99728	2.2
139.02373	11.6
140.00407	2.6
140.02217	2.3
141.01234	5.0
142.01907	4.5
142.03505	11.0
142.51906	2.1
143.00150	2.6
143.01807	5.9
143.02625	7.0
143.52750	2.0
144.01660	2.3
144.03360	5.6
144.04991	2.3
144.98042	3.9
144.99786	2.9
145.02385	4.9
145.03415	37.0
146.03174	14.1
146.99643	22.9
147.01353	19.3
147.04434	6.8
148.02956	3.6
148.53296	3.6
149.01172	3.5
149.02893	28.2
150.01736	5.2
150.03026	2.0
150.53162	2.8
151.02371	23.9
151.04440	7.0
151.52457	3.0
152.00436	4.7
152.02084	3.7
152.03159	11.0
152.04268	1.9
152.07040	5.7
153.00716	6.1
154.03465	6.7
155.08461	2.3
156.01767	5.6
156.05069	3.2
157.02350	5.4
157.03450	4.7
158.01363	2.6
158.03133	6.3
158.06644	10.4
158.99629	5.6
159.01266	3.2
159.05035	2.9
159.52106	2.6
160.02960	42.9
160.04327	3.7
160.52994	10.3
160.97643	2.4
161.01021	29.9
161.02893	30.2
162.02962	3.2
162.99107	5.9
163.04503	14.4
163.97665	3.7
164.03210	3.6
164.12593	2.6
165.00679	8.0
165.02393	7.0
166.02895	8.9
166.08565	3.5
167.03740	3.6
167.06956	3.9
168.01846	2.6
168.05081	4.4
169.02863	7.0
170.01428	5.5
170.02991	13.6
170.99629	5.5
171.01335	5.4
171.53653	5.2
172.02963	3.5
172.04521	8.0
172.51782	3.3
172.95135	2.3
172.97545	5.6
173.02812	10.9
174.99350	2.3
175.00868	12.6
175.03278	4.5
175.04616	4.1
176.07751	9.0
177.00877	10.0
177.02428	9.0
178.98524	2.5
179.02278	3.6
179.03786	5.6
179.07079	5.4
179.09258	2.2
181.00517	1.9
181.03336	2.5
183.01468	2.1
183.11531	3.7
184.04568	5.8
185.02950	5.1
185.06520	3.4
186.05994	2.6
186.96774	2.5
186.99138	8.2
187.00871	8.2
187.02617	5.1
187.04251	10.4
188.00914	4.3
188.02483	3.4
188.04131	7.1
188.05948	3.4
188.07666	8.4
188.97095	4.4
189.00668	11.4
189.02412	13.9
190.01276	5.1
190.05568	2.4
190.96664	2.3
190.98570	24.8
191.02333	3.1
191.03960	18.6
192.00519	2.6
192.04205	2.9
193.01906	3.9
193.04877	2.0
194.08075	5.6
194.13580	4.1
195.01625	2.6
195.03401	4.5
197.01036	4.2
198.02736	2.8
199.00818	5.2
201.00792	2.8
201.02423	14.4
201.05969	2.4
203.03983	4.5
205.00172	8.3
205.01910	2.1
205.98677	3.6
206.03455	3.0
206.98131	6.3
207.01688	6.0
207.03474	7.1
208.99677	6.3
211.00797	3.3
211.04219	2.4
211.05952	2.4
211.07719	3.9
211.11264	6.5
211.14389	3.1
211.16298	6.0
212.04005	3.0
212.07535	9.4
213.02429	3.2
214.00238	2.4
215.03931	5.3
217.01961	14.2
218.01964	3.4
219.01656	6.8
219.03510	10.6
221.04953	4.6
223.01180	5.1
224.08124	3.4
229.01923	7.9
229.45322	2.5
230.08789	8.4
231.03485	5.0
232.99529	2.5
233.05080	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.43166	0.6
53.03937	1.0
55.01866	3.6
55.05505	1.1
57.07063	5.1
59.29996	0.7
65.03932	2.1
67.05494	3.9
69.03417	0.9
69.07044	1.9
70.05415	3.8
71.04976	2.0
75.04426	1.4
78.04700	1.1
79.05482	4.6
81.07037	5.0
83.04968	1.3
83.08596	0.9
85.02873	1.2
85.06545	0.9
91.05468	8.2
92.04742	0.6
93.03378	3.4
93.07014	5.2
95.04949	5.0
95.08605	3.5
96.63812	0.6
97.06515	1.9
98.21404	0.6
99.04416	0.5
103.05444	4.3
105.06991	3.6
106.04152	9.5
107.04943	1.0
107.08575	5.5
108.05737	0.8
109.06496	100.0
109.10121	5.0
109.82141	0.5
110.06831	1.2
111.04382	0.8
111.08055	0.8
115.05463	0.8
117.03350	0.9
117.06974	1.4
119.04931	0.8
119.08535	0.7
121.06490	10.7
121.10130	2.5
123.08044	8.9
125.05967	2.8
126.09107	0.6
131.04922	0.6
131.08501	4.3
133.10126	2.5
134.03638	1.3
135.04309	0.7
135.08026	21.3
135.09061	1.0
135.11679	0.7
137.05940	1.3
138.06697	0.8
139.07524	0.8
145.02832	1.3
145.10074	1.4
147.08003	1.1
147.11667	1.2
148.05190	1.4
149.05957	11.4
149.09613	2.9
149.13213	1.6
150.10359	1.0
151.07542	0.7
151.11159	3.5
153.05437	1.2
153.09061	5.4
158.10881	1.4
160.11620	0.6
163.07497	1.1
173.13232	4.5
176.11934	1.3
177.05432	6.7
181.08595	2.5
191.06918	1.0
191.14267	18.3
209.04633	1.2
209.08006	4.2
209.09697	1.0
209.11740	0.8
209.15327	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.78783	1.9
53.03926	5.8
55.01867	12.4
55.05500	14.5
57.03167	1.6
57.03427	23.8
57.07051	8.6
57.24878	2.0
57.81328	1.7
59.04997	12.3
60.95614	1.8
65.03930	10.3
66.63708	1.8
67.05486	25.6
69.03416	25.2
69.06733	2.2
69.07055	22.4
69.67100	1.8
71.04964	10.7
71.23160	3.8
75.04448	5.8
77.03871	1.9
78.04679	5.4
79.05486	19.6
79.96313	1.8
81.03403	11.3
81.07042	31.7
83.04969	17.7
83.08618	11.1
85.02861	4.9
89.03885	2.5
91.05458	36.1
93.03406	12.7
93.07023	42.0
95.04941	22.3
95.08589	25.0
97.06510	12.9
99.04446	1.9
99.08080	3.2
103.05475	11.5
105.07011	24.6
106.03496	3.0
106.04154	36.4
107.04919	6.3
107.08575	79.0
108.36275	1.7
109.06499	22.8
109.10139	46.4
111.04400	2.4
111.08046	8.5
117.03332	2.8
117.07022	2.3
119.04915	2.2
119.08560	12.8
121.06488	49.1
121.10120	84.1
122.07296	4.2
123.08060	20.7
123.11687	15.2
124.05150	1.9
125.05956	13.5
125.09594	14.1
131.04895	4.1
131.08560	15.2
133.10101	15.2
134.03606	5.2
135.04398	3.9
135.08031	19.3
135.11674	16.1
136.30357	1.7
137.05925	5.4
137.09590	36.6
138.06679	2.3
139.07510	7.0
139.11139	6.6
143.08516	4.4
145.10104	8.3
147.11673	15.7
148.05136	4.3
149.05957	39.3
149.09608	15.7
149.13229	51.8
150.06479	2.3
151.07550	1.9
151.11151	51.3
153.05457	3.9
153.09044	15.2
158.10899	8.2
159.04445	2.3
163.07553	2.2
163.11179	2.9
163.14786	35.6
165.12729	72.8
166.06247	2.3
167.06973	2.8
173.13245	42.9
174.13513	2.6
174.73454	1.8
177.05418	19.0
181.08585	6.2
191.14273	100.0
192.14517	3.5
201.54466	2.0
209.08006	15.3
209.15340	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.23447	0.4
50.69715	0.4
51.02369	0.9
53.03933	5.4
55.01862	18.0
55.05501	37.5
57.03427	6.0
57.06819	0.4
57.07056	2.5
61.02942	0.5
65.03935	3.7
67.05492	53.9
68.05837	0.6
69.03423	5.3
69.07059	21.0
70.45711	1.8
71.04980	6.8
73.02908	5.0
77.03896	1.0
79.05479	79.1
80.05806	1.1
81.03404	8.9
81.07040	51.6
81.36507	0.4
82.07333	0.5
83.01322	1.4
83.04966	11.0
83.08097	0.9
83.08604	19.7
85.02898	1.0
85.06513	1.8
90.95192	0.5
91.05461	27.7
93.03393	2.1
93.07027	98.1
94.07339	1.2
95.04951	23.7
95.08588	100.0
96.08923	1.3
97.02869	8.6
97.06512	9.3
97.10146	1.3
99.04436	9.3
99.08107	0.5
103.05450	3.6
105.04494	1.7
105.07006	19.4
106.04140	0.8
107.04939	25.0
107.08573	62.8
108.08881	1.0
109.02848	0.6
109.06506	7.4
109.10137	5.0
111.04428	4.4
111.08069	2.9
113.05977	2.1
113.09631	0.9
115.05410	2.4
116.06209	1.0
117.07000	26.0
119.07726	1.0
119.08559	18.4
121.06487	16.3
121.10120	21.3
123.08022	1.0
125.04729	0.7
125.05965	5.4
125.09608	0.5
127.07576	0.6
128.06172	0.8
129.06993	1.8
130.07765	7.2
131.04889	1.2
131.08528	1.4
133.06464	0.9
133.10106	4.8
135.08054	5.3
135.11667	75.1
136.11977	1.5
139.07503	2.6
143.08505	2.0
145.02811	0.6
145.06418	1.5
145.10092	51.4
147.08009	0.6
149.05898	1.9
149.13272	0.6
150.10602	0.5
153.09093	1.2
153.12733	1.6
155.08530	1.0
163.11153	63.4
164.06993	0.7
164.11458	0.9
165.12772	0.9
173.09618	1.6
177.05428	2.0
179.08482	0.5
181.08507	0.6
181.12170	3.4
181.58847	0.5
191.14325	0.9
209.04341	1.3
209.06181	0.7
209.07979	1.1
209.11491	0.9
209.13335	0.9
209.15327	4.3
227.12735	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03923	1.7
55.05502	7.7
57.03420	6.6
57.07047	5.5
59.04987	15.6
59.66148	1.2
64.59409	1.6
65.03924	2.0
67.05495	15.2
69.03416	17.2
69.07061	14.8
71.04617	1.8
71.04986	23.6
71.16757	3.1
73.82521	1.3
79.05481	8.4
81.06605	1.8
81.07047	21.1
83.04969	8.0
83.08603	5.7
85.02889	2.7
85.06547	3.5
91.05456	14.1
93.07028	29.0
95.04964	7.5
95.08595	18.6
97.06498	7.2
100.79926	1.3
105.07012	16.3
106.04131	2.2
107.04958	2.9
107.08578	87.7
109.06512	16.9
109.10139	41.1
111.08049	5.6
111.40905	1.4
117.06997	1.5
119.08578	10.6
121.06495	8.0
121.10125	98.1
123.08070	8.9
123.11687	8.7
125.05953	2.4
125.09608	5.6
131.08548	16.3
133.10120	15.0
135.08026	18.6
135.11667	13.1
137.09633	7.3
139.07553	1.7
139.11174	12.2
143.08521	2.2
145.10107	7.3
147.11670	15.2
149.05956	4.6
149.09595	11.2
149.13232	63.6
150.13522	2.7
151.11180	14.6
153.09059	10.8
158.10873	10.3
163.11115	1.5
163.14795	30.7
173.13234	40.3
174.13515	1.9
177.05408	2.7
191.14281	100.0
192.14601	2.8
198.06470	2.4
209.04295	1.7
209.08018	2.4
209.15337	99.0
210.15645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0918
Annotation	L-Kynurenine
Peak:m/z	Relative Intensity
53.03937	2.6
55.01861	8.7
55.05497	4.9
56.05015	3.0
56.96549	11.9
57.03406	2.9
57.07056	3.8
57.22858	1.6
60.04502	1.9
61.17926	1.7
63.84040	1.4
65.03922	2.5
67.05491	5.3
67.92496	3.2
68.05009	2.1
69.03403	3.2
69.07052	3.3
70.06577	7.5
70.64146	6.2
71.04986	3.9
72.08121	3.5
72.93779	1.7
74.02433	22.9
76.33620	1.6
79.05496	8.8
81.03414	4.5
81.07050	6.8
82.94833	8.7
83.04963	6.1
83.06065	2.3
83.08583	3.5
83.15997	1.5
84.04515	2.6
84.08123	4.7
85.06528	1.8
86.09178	1.5
86.09699	3.5
88.03973	2.0
91.05471	12.3
92.05007	1.7
93.07030	9.7
94.06552	100.0
95.04964	9.6
95.06146	2.1
95.06856	1.7
95.08579	5.6
97.02900	2.8
97.06493	3.3
98.97564	2.7
99.00802	11.0
103.05453	5.8
104.04961	8.9
105.04575	1.5
105.07004	3.4
106.04162	2.0
107.04935	3.3
107.08582	7.5
109.02879	2.4
109.06506	7.9
109.07626	3.6
109.10143	2.7
110.05988	1.7
110.07150	2.9
111.04501	1.9
116.98609	2.0
117.05807	1.7
117.06937	2.5
117.84315	1.5
118.06522	32.6
119.04952	3.0
119.08521	2.5
120.04453	30.8
120.08055	1.9
120.25431	1.6
121.02850	3.3
121.06482	6.9
121.10133	5.9
122.06016	3.1
123.08057	2.4
123.97457	8.0
125.05859	1.7
125.09615	3.0
126.07935	1.6
126.93741	2.6
131.04936	5.4
132.04437	13.5
135.04393	4.6
135.08038	4.7
135.11694	3.5
136.07562	38.7
136.08611	2.4
137.05843	1.5
144.94815	1.9
145.02769	2.6
145.10115	2.7
146.05980	71.3
147.04382	2.1
147.06331	1.9
148.05203	3.4
149.05986	7.9
149.09615	5.1
149.13197	4.6
150.05493	32.3
150.06619	2.0
151.11145	4.4
153.05505	2.4
162.95882	4.0
162.99228	1.6
163.03934	3.7
163.07452	3.7
163.08647	8.8
163.11151	1.8
164.07062	8.2
164.10594	2.2
167.06985	2.0
167.96404	5.6
173.13269	2.9
174.05484	28.8
177.05405	10.5
178.67902	1.6
181.06422	1.7
182.60861	1.6
185.97411	11.6
191.06880	3.8
191.10626	2.4
191.14291	3.9
192.06537	35.2
194.02124	1.8
209.04446	13.8
209.06248	2.9
209.07986	6.3
209.09525	5.5
209.11533	3.0
209.13574	3.2
209.15352	25.3
210.07503	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0804
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02378	1.5
52.58977	1.1
53.03945	7.0
55.01864	12.0
55.05491	1.3
57.03410	1.6
58.33999	1.2
65.03929	13.3
67.05510	6.2
69.03408	2.5
69.07040	2.4
70.85610	4.7
71.04990	1.6
75.04469	13.1
77.03916	1.1
78.04702	14.4
79.05486	8.7
81.03401	4.1
81.07026	3.8
83.05006	2.7
85.02888	8.9
88.95947	1.2
89.03892	5.4
89.06031	3.2
91.04924	2.5
91.05471	40.7
93.03392	31.2
93.07037	15.8
94.04251	1.4
95.04392	2.3
95.04956	23.1
95.08595	2.0
97.06526	13.2
103.05462	15.3
105.03401	3.0
105.04522	2.1
105.07012	4.1
106.04161	85.7
107.04935	4.2
107.08545	4.1
108.05738	1.8
109.06496	5.9
109.10131	1.7
110.07307	2.1
111.04443	3.1
117.03384	3.8
119.04918	3.7
121.06492	76.9
122.07313	2.0
123.04415	5.3
123.08020	3.2
124.05246	1.6
125.05975	24.3
131.04927	3.7
131.08575	1.6
133.10121	1.6
134.03629	12.8
135.04413	2.7
135.08006	2.6
137.05983	9.6
138.06729	4.5
139.07552	5.8
145.02832	4.7
147.04399	1.7
148.05226	7.9
149.05966	100.0
149.09610	3.9
150.06258	1.5
151.03940	2.5
151.07497	3.4
151.11143	2.9
152.08301	2.1
153.05455	6.0
153.09103	18.7
163.07516	5.6
163.11136	1.8
165.05534	2.5
166.06264	3.5
167.07062	2.3
177.05450	34.0
181.08578	22.2
188.43994	1.3
191.07031	5.8
191.14273	1.9
209.04520	2.1
209.08080	22.3
209.15474	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	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02363	1.4
53.03934	7.0
55.01631	1.7
55.01863	18.1
55.05491	5.5
56.96545	1.2
57.03420	2.4
61.02884	1.3
62.57183	1.1
65.03930	12.1
66.91140	1.1
67.05499	8.4
67.21889	1.4
68.99788	1.4
69.03407	3.9
69.07058	3.6
69.55085	1.2
69.55490	1.1
71.04967	3.7
71.45851	3.3
75.04469	8.9
77.03951	1.4
78.04699	11.7
79.05479	12.1
81.03396	3.5
81.07034	7.3
81.88175	1.2
82.04187	1.9
83.04944	4.1
83.08582	3.1
85.02885	9.0
89.03902	8.5
89.06021	2.5
91.05464	51.4
93.03388	24.7
93.07027	25.8
95.04948	24.1
95.08588	5.7
97.06519	12.0
99.04437	2.2
99.08076	3.1
103.05461	23.9
105.03378	2.1
105.04488	3.6
105.07001	6.3
106.04156	66.7
107.04970	8.7
107.08562	10.5
109.06483	10.8
109.10131	4.8
110.03622	1.9
111.04409	4.3
111.08031	1.8
117.03364	5.7
117.06969	2.3
118.04181	1.8
119.04897	3.8
119.08553	2.1
120.05705	2.6
121.06483	80.8
121.10144	8.8
122.03691	1.3
122.07211	2.8
123.04404	5.1
123.08040	3.9
123.11663	1.3
124.05190	3.0
125.05959	18.4
125.09614	4.5
131.04912	9.4
131.08539	3.0
133.02795	2.3
133.06496	3.1
133.10110	2.8
134.03601	13.5
135.04411	8.0
135.08023	4.8
135.11726	2.7
136.04695	6.0
137.05983	10.9
137.09517	2.2
138.06726	4.6
139.07533	6.1
145.02837	3.8
145.10147	2.1
147.04355	3.0
147.11673	2.8
148.05174	8.4
149.05959	100.0
149.09596	11.8
149.13274	2.2
151.03848	2.5
151.07494	4.8
151.11150	5.9
152.08293	1.4
153.05434	5.2
153.09082	16.1
159.04375	3.3
163.03885	1.8
163.07532	6.1
163.11157	3.0
163.14819	3.1
165.05475	2.4
166.06250	4.7
167.07018	2.4
173.13229	2.5
176.04594	2.5
177.05437	48.4
178.05701	1.4
180.07790	1.3
181.04897	1.6
181.08571	17.6
185.97462	1.3
191.06915	7.6
191.10608	2.4
191.14278	9.8
209.04465	5.1
209.07999	21.0
209.09802	2.6
209.11728	4.9
209.13493	3.0
209.15308	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.13697	1.2
53.03938	9.7
55.01865	63.6
55.05497	5.0
57.03430	4.0
59.04947	1.4
59.28361	1.2
65.03936	14.0
67.05486	8.2
69.03427	2.6
69.07040	1.9
71.05744	3.1
74.85659	1.1
75.04468	10.6
77.03900	1.9
78.04700	9.2
79.05478	12.7
81.03387	1.8
81.07059	7.0
83.04964	3.1
85.02888	7.1
89.03907	13.6
89.06013	1.7
91.05466	59.7
91.77283	1.4
92.06261	1.4
93.03395	25.2
93.07031	26.8
95.04958	24.4
95.08595	6.1
97.06511	12.5
99.04448	1.6
103.05455	44.7
105.03374	3.6
105.04546	3.2
105.06991	5.5
106.04158	70.9
107.04954	11.0
107.08582	6.1
108.05754	1.8
109.00654	1.3
109.06528	6.5
109.10124	2.7
111.04417	6.2
111.08083	1.8
114.55206	1.6
117.03368	14.5
117.06984	2.0
118.04137	4.5
119.04893	7.7
119.08569	1.7
120.05729	4.3
121.02894	1.5
121.06487	85.1
121.10118	4.0
123.04408	4.4
123.08034	2.8
124.05139	2.6
125.05978	20.1
125.09618	2.3
131.04901	19.6
133.02827	4.3
133.06477	2.2
133.10114	2.8
134.03625	15.8
135.04411	3.9
135.08067	3.3
135.11659	4.2
137.05960	10.7
137.09618	2.0
138.03099	3.3
138.06750	3.5
139.03851	1.8
139.07529	5.5
145.02820	19.5
145.10066	2.6
147.04391	8.4
148.05156	14.4
149.05960	100.0
149.09515	2.2
149.13217	2.2
151.03853	4.0
151.07484	2.3
151.11160	3.8
152.04716	1.5
153.05457	14.1
153.09035	13.8
159.04369	3.4
159.05531	2.1
162.03165	1.8
163.03888	4.6
163.07518	10.5
163.11151	2.5
164.04532	1.7
165.05450	3.2
166.06236	6.4
167.07014	2.1
176.04659	6.6
177.05440	60.8
178.05824	2.4
179.03381	1.9
180.07780	3.0
181.04951	3.0
181.08577	20.7
191.06998	27.2
191.14301	4.8
193.05009	2.4
194.05759	3.4
209.04500	2.7
209.08054	40.0
209.15324	6.3
210.08339	1.9
215.98798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02376	1.4
53.03933	7.4
55.01864	11.7
55.05493	5.1
55.35663	1.2
57.03422	2.0
61.62259	1.0
65.03930	15.4
67.05486	7.5
68.99768	0.9
69.03405	3.1
69.07040	4.7
70.75207	3.5
71.04967	2.8
75.04468	12.4
77.03929	1.2
78.04697	13.9
79.05061	1.4
79.05490	10.3
81.03397	2.3
81.07042	6.1
82.04157	1.0
83.01329	4.6
83.04962	4.4
83.08593	2.6
85.02895	9.4
85.06522	1.6
89.03902	6.9
89.06023	2.8
91.05463	48.8
93.03387	34.8
93.07024	20.9
95.04949	27.2
95.08581	3.4
97.06516	19.6
97.07121	0.7
99.04428	1.3
99.08057	5.4
103.05454	19.1
105.03360	3.5
105.04488	3.0
105.07010	4.3
106.04151	86.4
107.04987	5.0
107.08569	7.9
108.02030	1.1
108.05692	3.0
109.06501	6.9
109.10125	2.8
110.03636	1.6
111.04412	4.0
111.08061	3.1
114.20383	1.2
117.03383	5.2
117.07018	1.2
118.04165	1.1
119.04932	3.9
120.05714	1.5
121.06483	78.3
121.10081	5.4
122.03694	1.4
122.07290	2.1
123.04398	4.1
123.08051	6.5
123.11708	1.3
124.05202	2.9
125.05960	25.2
125.09554	5.3
126.06734	0.9
131.04893	4.7
131.08513	2.1
133.02831	2.0
133.10100	3.7
134.03616	12.4
135.04385	3.2
135.08023	4.3
135.11719	1.4
137.05937	12.0
137.09615	2.5
138.06706	5.6
139.07523	10.0
139.11127	1.5
144.09332	1.0
145.02791	6.6
145.10023	1.5
147.04352	2.4
148.05161	8.8
149.05951	100.0
149.09581	7.0
149.13240	3.3
151.03894	2.7
151.07542	5.2
151.11147	4.9
152.08221	1.7
153.05437	5.9
153.09071	19.9
155.10634	1.2
156.06323	1.1
159.92679	1.0
163.03888	1.3
163.07542	6.1
165.05493	1.9
166.06212	3.3
167.07016	1.7
173.13202	2.6
177.03954	2.1
177.05438	33.2
181.08578	18.0
181.15855	1.4
191.06992	4.0
191.14258	6.7
209.04372	1.1
209.08047	19.3
209.11389	1.0
209.15324	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02384	1.5
51.87419	0.5
53.03942	7.8
55.01866	2.7
55.05502	9.3
57.03403	0.8
57.07059	1.1
61.90983	0.6
65.03921	3.4
67.05495	27.3
68.99785	1.0
69.03413	1.1
69.07059	7.4
71.04981	2.8
77.03925	1.9
79.05482	50.5
81.03411	4.0
81.07047	23.4
83.04963	4.5
83.08601	2.5
85.02891	1.9
85.06523	3.6
87.04459	0.8
89.03873	0.9
91.05467	70.8
92.05791	1.6
93.03400	0.7
93.07030	100.0
94.07363	1.6
95.04955	24.0
95.08588	11.0
96.05788	0.6
97.06516	2.5
97.10159	1.1
98.20649	1.4
98.95648	0.6
99.04451	0.6
99.08083	0.9
103.05424	1.5
105.03375	1.3
105.04487	3.0
105.07015	35.1
106.04142	0.8
107.04927	3.3
107.08579	15.4
108.05721	1.7
109.06509	6.9
109.10143	1.4
111.08059	0.8
117.06995	6.2
118.04140	2.0
119.04922	12.4
119.08558	22.6
121.02835	1.0
121.06515	4.3
121.10104	3.6
123.04420	2.3
123.08051	6.0
123.11686	0.9
127.07562	1.4
128.06200	1.9
129.06998	9.8
130.07828	0.7
131.08562	2.6
132.02075	0.9
133.06493	2.6
133.10103	7.9
135.04356	1.0
135.08002	0.8
135.11670	1.0
136.05226	3.8
137.05960	1.1
137.09612	2.4
143.08562	5.5
145.10126	9.3
146.03612	3.2
147.04382	9.4
147.08034	3.1
147.11659	59.2
148.12013	1.0
149.02328	8.5
149.05884	1.5
149.09596	1.5
151.07545	5.4
156.09343	1.6
159.11708	0.6
161.05937	1.7
161.09631	4.5
161.13231	8.5
163.03929	2.2
163.11159	0.9
164.04662	11.9
165.09128	1.1
171.11671	18.7
172.12010	0.8
174.03090	4.3
175.03889	5.0
177.05437	1.2
179.07007	9.4
189.05533	0.7
189.12709	12.7
192.04137	4.9
207.06499	28.8
207.09712	1.1
207.13768	26.4
207.17392	1.2
208.14169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02593	0.6
55.05525	0.7
56.05058	0.9
56.96582	1.5
57.07096	1.2
58.99901	1.8
69.76659	1.4
69.77065	3.3
77.00945	2.5
80.05075	0.8
81.03395	4.3
81.07074	1.0
82.94889	0.7
85.43195	0.6
86.99335	0.7
95.08609	0.7
98.97609	1.0
100.02509	2.2
101.00920	1.1
102.02299	1.0
103.00639	0.8
103.02464	1.1
103.88560	0.6
105.00433	1.0
106.00444	0.9
108.04487	1.3
109.02872	4.0
109.43536	0.6
115.02468	2.6
116.98640	1.3
118.01160	0.9
118.03551	2.9
119.01904	9.5
119.02650	0.8
120.02055	1.5
121.01684	4.0
121.02409	0.7
125.01363	0.6
126.05553	0.9
128.02058	0.7
129.03999	1.8
131.01875	6.4
133.03485	2.2
134.99701	1.3
137.02968	5.8
138.03038	1.3
139.02652	2.5
139.72467	0.7
141.03987	2.4
141.05009	1.0
142.03462	1.6
143.01926	1.1
144.03185	3.7
145.03485	2.1
147.05008	2.6
149.00859	1.4
149.02936	1.4
157.03447	13.1
159.05005	5.4
160.04510	1.2
161.02971	1.6
162.03056	2.4
162.04295	1.4
162.06116	0.9
166.96640	0.7
167.01823	5.4
168.05103	1.0
172.04688	0.7
173.02975	1.6
175.03119	0.7
175.04390	3.9
177.00957	1.7
177.06099	2.3
180.05190	1.3
182.06604	1.7
183.06302	0.8
184.02992	0.7
184.04518	1.7
185.02939	100.0
185.04410	4.2
185.06114	3.4
186.03130	2.7
186.06065	0.8
190.03453	3.0
200.07562	1.1
203.02208	3.7
203.03973	39.0
203.07562	4.8
204.04059	1.2
208.02565	1.4
208.04512	26.9
208.06418	1.3
208.07864	1.4
208.09747	1.0
209.04642	1.0
221.03215	1.5
221.05089	1.5
226.05588	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.2
55.01850	1.2
55.05505	4.9
57.03424	1.0
57.07053	3.0
57.92476	0.7
59.04982	1.3
65.03911	1.2
67.05495	8.3
69.03416	5.3
69.07063	7.8
69.42897	7.5
71.01331	2.0
71.04965	1.8
79.05477	6.6
81.03368	1.0
81.06613	0.8
81.07048	13.2
83.04960	9.0
83.08589	2.6
85.02903	1.4
85.06512	1.7
85.23969	0.8
91.05461	15.8
93.07028	11.0
95.04958	4.3
95.08006	1.3
95.08593	25.1
97.06489	2.4
98.20619	1.2
103.05398	0.9
105.07012	26.4
107.04906	1.5
107.08580	13.3
108.05724	1.0
108.08843	0.6
109.06494	9.7
109.10139	5.5
111.04382	1.4
111.08060	2.0
115.05410	1.1
117.06966	2.3
118.04086	1.1
119.04922	8.8
119.07737	1.4
119.08557	25.3
121.06505	4.1
121.10120	13.1
123.04403	1.8
123.08046	25.5
123.11670	3.1
125.05946	3.2
125.09607	5.3
129.06984	1.1
130.07729	0.8
131.08531	4.4
133.06447	3.3
133.10103	11.8
135.08061	4.0
135.11653	3.3
136.05101	1.1
137.05933	4.6
137.09578	4.3
137.13263	3.9
139.07536	3.9
143.08543	4.3
144.32654	0.7
145.06470	1.0
145.10098	3.7
146.03523	1.5
146.07201	1.1
146.10872	1.0
147.04390	6.0
147.08029	7.3
147.11667	11.4
149.02298	2.7
149.09604	15.5
151.07526	15.6
151.08734	1.2
151.11118	2.3
156.09306	3.4
159.08101	1.0
159.11710	2.2
160.08777	0.8
161.09598	3.6
161.11887	1.4
161.13237	29.2
162.13493	1.1
163.03807	0.7
163.11165	2.7
164.04668	2.8
164.08249	1.1
165.09100	4.9
165.12712	10.7
171.11650	5.9
174.03073	1.5
174.10342	3.2
175.03854	4.0
179.06972	2.4
179.14282	19.0
189.12709	21.6
192.04102	1.7
207.06491	8.9
207.13773	100.0
208.14073	2.0
225.63954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.93969	0.6
53.03947	1.7
53.63696	0.7
54.99185	0.6
55.01859	1.5
55.05272	0.6
55.05492	4.2
56.05005	0.7
56.96550	2.5
57.03415	1.3
57.07059	2.6
59.04988	0.9
65.03934	1.7
67.05497	7.8
69.03402	3.2
69.07059	2.7
71.04980	2.1
71.69225	1.1
75.23994	0.6
78.04681	0.7
79.05477	10.9
80.05846	0.7
81.07040	24.3
83.04961	2.4
83.08578	0.9
85.02888	100.0
85.06543	1.1
86.03226	0.7
87.04495	0.8
91.05463	15.5
93.07025	17.4
95.04962	3.7
95.08590	7.7
97.06508	1.3
98.97562	16.7
99.04469	0.7
103.05453	1.0
105.07011	17.1
107.04901	1.6
107.08574	16.1
109.06494	5.6
109.10130	14.9
111.04426	2.0
113.05993	1.1
115.03951	0.8
115.05440	1.5
116.98600	12.6
117.06987	1.8
119.04921	4.8
119.08562	15.3
120.08105	1.6
121.06493	2.0
121.08411	2.1
121.10120	12.5
123.04409	2.3
123.08067	5.9
123.11683	61.1
124.12025	0.9
125.05970	10.0
125.09581	0.6
128.98607	0.8
129.06956	0.7
131.04927	0.8
131.08534	4.2
133.06447	1.7
133.10095	3.2
134.99652	5.5
135.08020	1.0
135.11690	2.1
137.05949	1.3
137.09592	1.9
139.07462	0.7
141.05455	1.5
143.08548	1.6
145.10062	6.0
145.10870	0.5
147.04384	3.8
147.08014	5.6
147.11668	13.0
149.02328	1.7
149.09595	16.3
151.07504	6.8
156.09317	2.4
158.99625	6.2
159.08046	1.4
160.08823	0.8
161.05981	2.7
161.09610	1.9
161.13220	4.2
162.09088	0.7
163.11194	1.9
164.04660	0.9
165.06586	1.0
165.09035	1.0
165.12727	2.6
169.08563	1.5
171.11609	1.6
174.10341	1.2
175.03889	3.3
177.00667	9.8
177.02074	0.9
178.01064	0.7
179.06953	1.3
179.14247	0.7
186.07132	0.9
189.05452	1.5
189.09030	0.8
189.12715	10.8
195.07751	1.4
200.02271	0.8
207.02853	1.2
207.06413	5.3
207.13774	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.4
55.01850	1.3
55.05508	5.0
56.23819	0.7
57.03438	1.0
57.07046	1.4
59.04975	3.6
60.65778	0.8
65.03913	0.9
65.22646	0.7
67.05254	0.6
67.05495	7.1
68.77270	0.7
69.03421	8.5
69.07056	5.1
71.04967	2.4
71.06521	1.9
74.94261	0.7
79.05466	6.2
81.07047	13.0
82.80993	0.8
83.04964	11.8
83.08591	2.1
85.02885	11.8
85.06528	1.9
91.05452	9.2
93.07020	8.0
95.04958	5.7
95.08589	19.0
97.06506	3.6
103.05433	1.0
105.07008	30.2
107.04940	1.8
107.08575	21.1
109.06497	9.4
109.10149	4.7
111.08044	2.4
112.88754	0.9
117.06974	1.5
119.04928	8.5
119.05788	0.9
119.06080	0.9
119.08562	20.4
121.06483	4.3
121.10127	16.8
123.04356	1.2
123.08047	42.0
123.11686	11.5
125.05933	1.2
127.07536	1.0
128.06183	2.0
129.06993	1.9
130.07751	1.3
131.08548	4.1
133.06467	8.4
133.10104	8.3
135.08015	3.7
135.11676	2.7
136.05231	0.8
137.05954	2.5
137.09564	5.4
137.13199	1.5
142.07826	1.3
143.08546	8.4
145.06459	1.0
145.10089	9.9
147.04355	2.4
147.08058	7.5
147.11671	12.3
149.02299	0.9
149.09593	20.4
151.07509	16.1
156.09317	11.3
159.08009	2.4
159.11678	2.2
160.08771	2.2
161.05980	1.1
161.09575	3.9
161.13237	16.8
163.11209	3.9
164.04666	2.1
165.12729	7.7
167.46541	0.8
171.11671	21.5
174.10396	4.6
174.96693	0.7
179.07002	2.3
179.14227	4.3
189.12711	49.8
190.13033	0.8
192.04126	0.9
207.06375	4.4
207.13771	100.0
208.14079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	8.8
55.01860	1.6
55.05508	8.2
57.07079	0.9
65.03926	2.4
67.05495	26.1
69.07069	5.9
70.30014	2.2
70.30410	1.6
71.04995	2.3
73.06524	1.0
77.03899	1.4
79.05482	49.4
80.05807	1.2
81.03403	1.2
81.07044	22.7
81.07484	1.8
83.04964	2.4
83.08609	3.0
85.02900	1.0
85.06522	2.2
91.05466	51.0
92.05785	1.2
93.07030	100.0
94.07363	1.8
95.04944	16.6
95.08588	9.1
97.06548	2.7
97.92672	0.9
105.04517	3.0
105.07017	27.3
107.04928	1.6
107.08588	10.4
107.09270	1.4
109.06487	4.4
115.05461	1.0
117.07006	6.7
119.08559	14.6
121.06503	1.4
121.10152	1.8
123.08057	2.4
128.06186	1.7
129.06970	9.6
131.08537	1.8
133.10088	4.7
137.05963	0.8
143.08543	6.5
145.10132	8.7
147.08012	2.3
147.11664	55.2
148.11996	1.4
161.09593	3.1
161.13257	6.6
171.11673	19.6
189.12730	11.1
196.11656	0.9
207.06532	1.0
207.13788	18.4
207.15645	1.4
218.06279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01594	0.5
51.02367	1.0
53.03940	6.8
53.06498	0.4
55.01856	1.4
55.05502	5.4
56.69142	0.6
56.73256	0.4
57.03459	0.5
65.03927	1.9
67.05492	23.4
69.07057	5.5
70.06762	2.9
71.04984	2.3
73.06542	1.2
77.03906	1.7
79.05477	40.7
80.53559	0.4
81.03383	1.0
81.07041	19.2
83.04979	1.9
83.08607	2.2
84.85000	0.5
85.02896	1.0
85.06529	2.7
91.05463	54.6
92.05787	0.6
93.07026	100.0
94.07361	1.3
95.04951	16.3
95.08588	7.6
97.06496	1.2
99.08084	0.8
105.04498	2.2
105.07006	26.0
106.07376	0.6
107.08575	9.1
109.06495	4.9
109.10147	0.7
109.40354	0.6
115.05398	0.6
117.07001	5.3
119.08559	13.8
121.06483	1.8
121.10139	2.0
121.75726	0.5
123.08038	3.9
127.07545	1.0
128.06218	1.4
129.06987	8.3
131.08566	1.7
133.06538	0.6
133.10109	5.0
135.08014	0.8
135.11732	0.5
143.08533	6.0
145.10081	8.5
147.08032	2.1
147.11658	54.6
148.12013	1.4
149.09621	1.1
151.07510	1.0
156.09329	0.6
161.09613	4.2
161.13228	6.9
163.11070	0.7
165.12758	0.6
171.11662	17.1
189.12711	11.3
207.06537	1.4
207.13765	15.8
208.09862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01844	1.0
55.05496	3.1
55.15108	0.6
57.03421	2.6
57.07069	1.0
59.04977	2.9
65.03925	1.1
66.82104	0.7
67.05479	9.0
69.03413	6.7
69.07049	6.8
69.34803	0.6
70.04136	3.1
70.09408	0.7
71.04961	1.2
79.05482	12.7
81.07035	10.6
82.07358	0.7
83.04969	6.4
83.08591	1.5
85.02886	1.1
85.06525	1.4
91.05463	15.6
93.07026	26.1
95.04954	9.3
95.08584	8.6
97.06522	4.2
105.03385	0.7
105.07011	31.0
107.04964	1.5
107.08575	14.5
109.06495	7.5
109.10148	3.3
111.08070	4.5
117.06983	5.2
119.04903	4.0
119.08559	25.2
119.09419	1.3
121.06483	3.3
121.10120	6.2
123.04382	0.9
123.08041	9.0
123.11695	0.8
125.09554	0.8
128.06216	2.3
129.07004	4.3
131.08540	4.4
133.06474	5.8
133.10101	8.6
135.07997	2.0
135.11639	1.6
137.05963	3.7
137.09615	3.5
139.07489	1.6
141.06950	1.2
143.08543	6.9
145.10065	3.7
147.04372	2.3
147.08034	7.8
147.11658	14.5
149.09593	5.3
151.07489	2.7
151.11147	1.0
156.09314	6.3
159.08026	1.5
159.11629	5.7
160.08836	0.7
161.05840	0.7
161.09593	7.4
161.13226	20.3
162.02997	0.7
163.11172	1.5
164.04608	1.2
165.12743	1.7
171.11661	7.3
174.10374	0.9
175.03946	1.1
176.11931	0.8
177.12706	3.7
179.06975	1.1
179.14259	3.2
189.09084	0.9
189.12708	17.6
206.59731	0.8
207.06581	3.6
207.13770	100.0
208.14085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	3.1
55.01860	2.9
55.05504	11.1
57.07069	4.8
59.04982	2.8
65.03914	6.6
67.05144	2.3
67.05495	51.0
69.03416	60.1
69.06745	2.4
69.07057	28.4
69.77415	15.7
71.04969	9.6
79.05482	23.6
81.03412	11.0
81.07030	29.3
83.04951	15.2
83.08595	2.5
85.02884	4.0
85.06530	6.2
91.05460	29.2
93.07022	28.3
95.04952	42.4
95.08008	3.8
95.08585	59.5
97.06509	11.7
101.05972	2.1
105.07005	45.1
107.04910	6.9
107.08572	43.1
109.06500	25.0
109.10113	13.4
110.07272	7.1
111.08105	14.4
113.05918	2.4
117.06995	5.6
119.04909	6.1
119.08557	46.4
121.06460	8.9
121.10120	35.1
122.07290	2.4
123.04403	53.8
123.08039	43.9
123.11658	7.6
125.09645	4.7
129.06960	3.5
131.08527	8.5
133.06441	8.2
133.10110	68.6
135.08031	6.1
135.11670	10.4
136.05177	3.2
137.05945	14.3
137.09563	14.2
141.06918	2.8
143.08571	4.7
145.10089	12.0
147.04373	4.1
147.08031	13.2
147.11644	25.7
149.02307	3.4
149.09593	46.0
151.07558	12.0
156.09329	11.0
159.11649	7.6
161.09607	5.4
161.13254	28.6
163.11159	23.2
165.09145	2.7
165.12712	11.3
171.11649	16.9
174.10323	4.2
177.12671	2.7
179.07005	7.0
179.14253	6.0
189.12718	38.0
195.77560	2.1
207.06474	9.5
207.11804	5.1
207.13765	100.0
223.23643	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.30287	1.4
55.05259	1.3
55.05505	6.4
57.07066	4.1
62.26531	1.4
65.03927	3.1
67.05492	29.4
69.03431	4.7
69.07063	3.2
69.20715	1.6
70.04347	8.3
71.04987	1.4
79.05497	4.8
81.07062	4.9
83.04971	3.8
85.06554	7.7
91.05453	8.4
93.07013	11.7
95.04967	4.2
95.08591	100.0
95.79061	1.3
96.08911	1.3
97.06565	1.7
101.08362	1.3
105.07005	18.2
107.08570	21.9
109.06516	5.8
109.10181	3.7
113.06010	4.1
119.08558	26.9
120.09370	1.5
121.06494	3.9
121.08489	1.5
121.10114	14.5
123.08049	70.2
123.11645	7.0
123.68969	1.3
127.36882	1.3
131.08601	5.1
133.06561	1.7
133.10138	6.1
135.08058	3.5
135.11674	4.1
137.09618	4.8
137.13251	2.5
139.21333	1.5
143.08527	1.7
145.10144	2.6
147.07997	7.6
147.11667	16.7
149.09599	44.5
151.07512	1.6
151.14812	4.6
156.09302	3.2
157.08812	1.5
160.08852	1.5
161.06009	1.8
161.09627	2.0
161.13229	20.6
163.11179	2.9
165.09076	2.2
165.12743	12.0
171.11732	5.1
174.10336	3.4
179.14301	2.3
189.12727	21.4
207.13789	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02366	1.2
52.03397	1.0
53.03941	7.0
55.01873	1.6
55.05503	7.9
58.18072	0.9
59.14561	1.1
63.22181	0.9
67.05496	24.4
67.40140	1.0
69.07065	6.0
70.20792	4.2
71.04975	2.5
77.03908	1.9
79.05022	2.4
79.05482	49.0
81.03396	1.7
81.06599	1.9
81.07043	20.3
83.04962	2.5
83.08611	3.4
85.06538	2.0
91.05468	57.9
93.07029	100.0
95.04953	20.9
95.08598	8.4
97.06505	2.8
97.10101	1.6
105.04468	3.1
105.07019	27.4
107.04937	1.5
107.08569	10.7
109.06484	4.9
110.62701	1.0
111.04420	1.1
117.06989	4.8
119.08574	13.9
121.06501	1.3
121.10117	2.7
123.08035	3.8
127.07526	1.3
128.06218	1.2
129.06979	11.4
130.64330	1.0
133.10083	6.4
143.08588	5.5
145.10088	8.1
147.07980	2.8
147.11659	51.5
148.11993	2.2
161.09573	2.4
161.13252	7.7
171.11656	19.7
179.14386	1.1
189.12717	9.5
207.13751	14.6
215.80132	1.1
225.57547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03929	0.6
55.01874	0.3
56.96556	0.7
57.07060	0.4
58.69531	0.2
67.05486	0.4
68.99754	0.5
69.03414	0.3
69.07074	0.2
70.02940	0.9
70.25816	0.5
70.26237	0.8
71.04987	0.3
77.03909	0.3
79.05473	0.4
81.03399	0.4
81.07018	0.6
83.04970	0.4
83.06088	0.3
83.60552	0.3
85.02914	0.3
87.00816	2.2
89.18414	0.2
91.05480	3.2
93.07045	3.1
95.04951	1.3
95.08614	0.5
98.21461	0.3
98.97565	0.6
103.05458	16.2
104.04964	0.3
104.05781	0.5
105.01810	0.3
105.03391	3.9
105.07006	1.1
107.08562	0.6
109.06499	0.3
112.06071	0.3
116.05827	0.3
116.98579	0.4
117.05761	0.3
117.06995	0.4
118.06529	17.9
119.04915	0.4
119.08578	0.5
120.08090	100.0
121.06509	0.5
121.08446	1.4
121.10101	0.3
122.07143	0.4
123.08070	0.6
128.04951	2.1
145.06491	0.5
145.10097	0.3
146.05980	12.8
146.10501	0.4
147.04384	0.3
149.02309	0.6
149.09569	1.4
150.02672	1.1
150.06389	0.3
160.07539	0.3
161.05937	0.8
161.13223	0.4
162.06427	0.3
163.11253	0.3
164.07030	0.5
171.11594	0.4
186.99205	0.7
188.07037	9.3
189.07413	0.3
189.12720	0.5
191.14294	0.7
205.00235	0.4
206.05261	0.3
206.08095	6.0
206.11984	0.3
206.15324	0.4
207.06464	0.3
207.13805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03923	2.5
55.05499	18.5
56.96566	1.8
57.07063	9.6
65.03918	3.5
67.05494	16.5
69.03399	1.2
69.06691	1.9
69.07056	29.0
70.98096	1.8
71.08610	2.3
79.05482	17.5
81.03425	2.0
81.07043	67.6
82.07352	1.4
83.08609	10.9
84.93420	1.0
85.02881	1.1
88.99140	1.7
91.05467	12.2
93.07029	70.7
95.04937	2.7
95.08588	46.1
97.02877	4.4
97.04784	1.1
97.10140	10.4
103.05424	1.5
105.07018	8.3
107.04989	1.4
107.08575	55.7
108.08882	1.2
109.02840	2.8
109.06513	1.3
109.10140	34.3
111.04437	1.2
111.11680	3.3
117.07024	1.4
119.08558	4.8
121.02869	7.6
121.10122	100.0
121.62958	0.9
122.10473	1.6
123.08053	1.2
123.11690	17.7
126.05559	1.1
127.05880	1.1
131.08537	3.0
133.10110	1.8
135.11670	36.4
137.13200	3.0
143.03191	1.1
145.10065	2.2
147.11630	1.6
149.02322	46.7
149.13232	59.1
150.02658	1.5
150.13510	1.6
153.17683	1.1
159.11685	2.5
163.14771	6.6
167.03389	1.4
177.12691	1.2
183.10454	1.4
187.11214	2.0
187.14856	1.1
205.04915	1.0
205.10266	1.8
205.12231	2.4
205.14127	2.0
205.15886	2.8
205.19498	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	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02354	0.3
53.03940	4.1
55.01867	0.8
55.05503	0.7
56.96546	0.7
57.07069	3.4
57.89388	0.3
57.91726	0.4
60.04517	1.6
61.04821	0.6
65.03931	2.2
67.05490	0.7
69.03424	1.8
69.07052	0.7
70.06577	0.3
71.08914	0.7
71.09286	0.8
72.08150	0.8
77.03923	1.1
79.05477	1.4
81.03408	1.4
81.07055	1.0
83.04980	0.9
84.08139	0.7
85.02906	1.1
85.06532	0.6
91.05465	19.7
93.03420	0.6
93.07030	60.5
94.07361	0.9
95.04951	8.0
95.08600	0.7
97.02859	2.6
99.04443	0.8
103.05457	3.6
105.04497	1.5
105.07002	2.4
107.04932	1.0
107.08587	1.4
109.02859	1.3
109.06502	0.4
109.10104	0.4
111.04446	0.8
115.05370	0.5
117.06976	2.4
118.06506	0.8
119.08576	2.2
120.08088	1.1
121.02906	2.9
121.06487	100.0
121.10126	1.6
122.06808	2.1
127.03912	0.5
127.05873	0.5
129.05362	0.4
129.06947	0.7
131.04922	0.9
131.08578	1.5
133.06387	0.5
134.09612	0.7
135.08060	1.4
135.11682	1.1
137.05951	0.5
144.09358	1.2
145.06451	1.7
145.10106	1.7
146.06009	0.9
147.08032	0.9
149.02319	22.7
149.05954	1.3
149.09563	0.5
149.13329	0.6
159.04515	0.5
159.08095	1.0
159.11646	4.4
161.05885	0.5
162.10362	0.6
163.11172	2.0
167.03363	0.7
172.08871	0.4
175.11206	0.5
177.05449	1.0
177.09140	0.8
177.12770	1.8
187.07503	0.8
187.11174	1.2
188.07059	0.7
205.04927	1.3
205.08757	1.5
205.12225	14.6
205.13989	1.1
205.15877	0.7
206.08209	0.5
206.11729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.50969	0.2
53.03940	2.9
55.01865	4.5
55.05497	0.3
57.07076	1.3
60.04517	0.3
65.03953	0.3
67.01845	0.2
67.05502	0.5
68.98905	0.2
69.03422	1.4
69.07059	0.4
70.88153	0.2
70.88484	0.6
71.04986	0.3
77.03931	0.7
79.05476	1.8
81.03400	1.0
81.07057	0.8
83.04971	1.5
85.02902	0.6
91.05468	16.1
92.05779	0.3
93.07032	11.1
95.04955	6.2
95.08583	0.5
96.04527	0.2
97.02877	0.9
99.04472	0.3
103.05448	2.6
105.04497	1.3
105.07024	2.1
107.04969	0.5
107.08566	0.9
109.02870	1.0
109.06514	0.7
109.10159	0.3
111.04397	0.2
115.05402	0.5
117.06995	1.6
118.06535	0.2
119.08556	2.1
121.02869	1.4
121.04021	0.3
121.06491	14.5
121.10116	1.1
122.06846	0.3
123.08028	0.6
127.03895	0.4
127.05830	0.2
128.06209	0.4
129.06979	0.7
130.07764	0.5
131.04903	0.3
131.08533	1.1
133.10095	0.4
135.04387	0.3
135.08047	1.2
135.11673	0.8
137.50038	0.2
143.08527	0.7
144.05577	0.2
144.09311	0.6
145.06456	0.8
145.10106	3.9
147.08029	2.4
148.05125	0.2
149.02342	8.8
149.05957	100.0
150.02617	0.3
150.06299	2.0
159.04388	0.7
159.08006	0.6
159.11670	2.5
160.07407	0.2
161.05984	0.3
161.09579	1.1
161.13242	0.3
162.05505	1.0
162.10324	1.1
163.03873	0.3
163.04297	0.2
163.05817	4.3
163.07510	0.6
163.11166	10.8
163.14871	0.3
164.11522	0.2
172.08781	0.9
173.05992	0.6
177.05496	0.3
177.09053	0.3
177.12753	1.0
187.11137	1.6
187.14752	0.3
191.05307	0.7
197.48428	0.2
205.04893	0.7
205.06857	1.6
205.08817	0.8
205.12212	8.5
205.14020	0.6
205.15880	0.7
205.19456	0.2
206.15298	0.4
212.20844	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	204.0653
Annotation	Doryanine
Peak:m/z	Relative Intensity
56.05020	0.1
60.04516	3.3
60.90172	0.1
61.02930	0.2
68.05017	0.7
71.45087	0.3
77.03897	0.1
79.05465	0.1
81.03416	0.1
83.04964	0.1
83.06076	0.1
84.04498	1.2
85.02893	0.5
87.00684	0.2
88.70985	0.1
89.03908	1.1
91.05466	0.2
93.07025	0.2
96.04472	1.2
97.02888	1.5
98.06023	0.2
105.06953	0.1
110.06041	0.3
114.05511	1.1
115.03870	0.1
116.04962	2.8
117.06996	0.2
121.02826	0.2
121.06478	0.2
126.05497	1.5
127.03906	0.2
134.05984	0.3
138.05478	0.2
144.03415	0.2
144.04344	0.7
145.05309	0.1
145.06483	0.2
146.07050	0.1
149.02321	0.8
149.05977	0.3
162.05478	100.0
163.05853	2.3
164.05952	0.2
181.95581	0.1
185.07059	0.3
186.07620	0.2
188.10625	0.2
189.11472	0.5
190.04965	14.8
191.05273	0.3
204.06541	27.8
204.13799	2.1
205.06912	0.7
205.12260	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	205.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.76981	0.4
55.01859	1.1
55.05506	0.6
56.05036	1.0
56.81599	0.4
56.96556	100.0
57.03423	1.5
57.07060	2.6
58.99584	1.3
60.04518	1.6
61.02923	2.3
61.04832	0.5
63.92927	3.0
65.03938	1.9
67.05489	0.6
69.03426	2.8
70.06564	0.5
70.98112	7.8
70.98469	0.9
71.20844	1.1
71.95265	1.0
72.08150	0.5
73.02916	1.7
74.06060	0.7
74.97602	5.5
77.00769	0.4
78.95264	6.7
79.05489	0.7
81.03423	1.9
81.07047	0.6
84.04501	1.0
84.96022	5.0
85.01109	8.0
85.02903	2.4
86.97601	1.4
88.02212	0.6
88.99142	6.7
91.05487	0.6
92.98650	1.5
93.03411	0.5
93.07069	1.5
95.04987	0.9
96.04510	0.5
96.96317	1.0
97.02890	4.1
97.04840	0.7
97.99162	0.5
98.03208	0.5
98.97577	3.2
99.04452	1.1
100.99123	4.0
101.00777	0.4
102.03754	11.1
102.05530	5.8
102.97050	0.8
103.05450	0.7
105.07021	0.8
107.00207	2.9
107.04933	0.9
107.08580	1.0
109.02888	2.1
110.02148	0.4
110.97576	2.1
111.04406	0.4
116.01672	1.6
116.98593	3.8
117.01892	0.8
117.07021	0.9
118.01822	0.6
119.00164	6.5
119.01896	1.7
119.08545	0.5
119.97869	8.4
119.98651	0.6
120.02110	0.5
121.01627	1.8
121.02807	2.2
121.06483	1.5
122.94180	2.9
123.04428	1.0
126.00746	0.5
127.01544	1.1
127.03875	0.6
128.02289	1.0
128.98590	4.7
130.96542	1.3
131.01912	0.7
131.08582	0.6
133.01668	3.2
134.99640	2.5
135.08083	0.5
136.06189	0.7
137.01227	1.7
137.02885	0.9
137.06017	0.5
140.95248	2.4
144.51662	0.7
144.98061	11.4
144.99103	0.6
145.01582	0.6
145.10107	1.0
146.99615	8.2
147.01379	0.8
147.04399	0.6
147.08003	0.5
148.97597	4.3
149.01128	0.7
149.02318	18.6
151.02777	1.1
151.03889	1.0
153.00832	0.6
153.02144	0.6
153.52206	1.2
154.02074	0.8
158.96324	4.3
159.04437	0.6
159.08141	0.5
159.11736	0.6
161.01265	3.1
161.02959	0.7
162.99126	27.8
163.02739	1.0
163.11169	0.7
163.62607	0.4
163.96826	6.5
165.00665	2.7
166.98602	3.0
173.01221	0.4
177.00725	1.1
177.12810	1.0
179.02313	1.1
181.00168	19.0
181.97862	10.4
186.00780	1.2
186.99210	0.9
188.03720	1.0
193.03870	0.5
199.01213	3.3
201.00685	0.6
204.01825	1.1
205.00192	8.2
205.06500	1.9
205.08713	1.0
205.12289	1.8
205.14078	0.8
205.15903	1.0
219.01735	0.5
223.01213	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03927	3.2
55.05493	14.5
56.96548	8.0
57.03411	3.4
57.07058	2.7
60.04514	21.8
63.88094	2.2
67.05498	27.1
68.05016	12.9
68.93925	2.2
69.03433	4.2
69.07054	20.4
70.06565	3.0
71.04994	2.3
71.70934	2.0
71.71271	3.0
79.05482	14.9
81.03384	3.3
81.06613	3.1
81.07049	45.9
83.08602	10.3
84.04494	17.4
85.02867	4.4
91.05466	25.8
93.07038	25.2
95.04958	4.0
95.08595	72.4
95.09203	4.0
96.04490	17.7
97.02883	19.4
97.90432	2.2
98.06060	3.2
99.04422	2.6
105.07018	70.7
107.08579	39.3
109.10143	50.6
110.06029	6.3
112.22248	2.5
114.05526	17.2
115.05444	2.8
117.06998	9.7
119.08557	55.6
121.06532	2.8
121.10136	26.5
122.05986	3.2
123.11719	4.4
126.05491	27.1
128.06172	3.5
128.98582	2.5
129.06949	6.6
131.08556	8.9
131.85373	2.2
133.06453	3.3
133.10114	50.3
134.07245	2.2
135.11707	7.3
138.05484	4.6
141.06905	2.7
142.07765	5.4
143.08502	6.3
144.06523	5.1
145.06471	2.6
145.10144	11.6
146.99619	3.3
147.04405	3.6
147.11662	65.9
156.06291	2.4
157.06393	2.3
157.10117	7.6
159.11639	7.0
161.09647	5.4
161.13248	20.9
168.06569	3.9
170.10970	3.3
175.07542	7.5
175.14815	10.3
185.05873	2.6
185.09676	2.8
185.13223	6.6
186.07642	4.7
188.10765	2.8
189.11453	4.3
203.03368	6.7
203.07011	4.0
203.10506	14.2
203.14267	21.7
203.17946	100.0
204.08614	14.9
204.13809	20.8
204.18315	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	203.1791
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03933	0.9
55.01864	1.1
55.05502	8.1
56.05029	0.8
56.96555	1.3
57.07055	1.4
60.04520	6.9
65.03923	1.2
67.05138	1.4
67.05494	23.9
68.05000	3.1
69.03397	1.1
69.06734	1.1
69.07053	10.6
70.06526	4.6
79.05476	10.2
79.63313	0.8
81.07043	47.1
83.08611	2.1
83.10558	0.9
84.04482	7.7
85.02864	2.1
89.49560	0.8
91.05464	18.1
93.07028	24.3
95.04936	1.3
95.08592	73.8
96.04483	5.6
97.02879	6.2
97.10184	1.5
98.06029	1.1
103.05433	0.9
105.07017	43.0
107.08575	41.2
109.10136	45.8
110.06026	1.1
111.04491	0.9
113.35185	0.9
114.05518	4.8
114.56540	0.8
117.06979	2.1
119.08560	37.9
119.09415	2.0
121.10125	21.2
123.11709	6.5
126.05511	7.9
127.00939	0.9
127.03848	1.1
129.06956	2.0
131.08536	2.6
133.06471	1.5
133.10106	29.1
135.11655	3.8
137.20876	0.9
142.07768	1.9
143.08606	1.4
144.06519	1.7
145.04987	1.1
145.10092	3.3
147.04388	1.3
147.11664	51.2
157.10110	3.2
159.11665	4.1
160.12396	1.0
161.09613	1.4
161.13228	19.6
168.06525	1.6
170.10864	1.2
175.03960	1.1
175.14780	10.1
185.13229	1.8
188.08360	1.1
189.11470	1.8
198.65846	1.0
203.03360	2.3
203.06841	1.7
203.10675	3.6
203.14311	9.7
203.17924	100.0
204.08606	5.5
204.13786	6.9
204.18248	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03926	1.5
55.01859	1.0
55.05503	12.1
57.07053	2.6
59.00791	0.7
60.04516	6.2
61.02939	1.0
65.03931	1.1
67.05495	35.8
68.05003	2.8
69.03419	1.3
69.07058	20.6
70.40508	3.3
73.02897	1.2
76.07174	0.7
79.05476	12.6
81.07043	48.6
83.04964	0.8
83.08590	4.0
84.04471	4.5
85.02894	1.9
89.88793	0.7
91.04926	1.1
91.05464	17.1
93.07031	22.1
94.07375	0.8
95.04944	1.2
95.08590	75.6
96.04464	3.2
96.08911	0.9
97.02882	3.7
97.10137	2.0
105.07015	69.8
107.08576	33.2
109.06536	1.6
109.10139	79.3
110.10416	1.0
114.05488	1.4
115.05441	2.0
117.07003	4.0
119.08563	54.7
120.08916	0.9
121.10133	23.2
123.11695	10.8
126.05519	4.1
127.03907	0.9
128.06252	0.9
129.06937	1.5
131.04903	1.3
131.08556	5.0
132.05550	0.9
132.09294	0.8
133.10104	42.2
135.11670	8.2
136.21150	1.0
137.13278	1.0
142.07770	0.9
143.08557	2.2
144.06615	1.0
145.10085	8.3
146.10786	1.4
147.04350	1.1
147.11664	82.0
148.12114	2.2
157.06393	0.9
157.10088	2.5
159.11641	3.8
160.05141	2.4
160.12465	3.6
161.09575	2.1
161.13226	24.2
168.06494	1.0
173.13235	1.1
174.13994	0.8
174.99887	0.9
175.07530	2.5
175.14784	9.9
180.53925	0.8
185.13268	1.4
188.08287	0.9
189.11392	0.9
192.05365	0.8
203.03249	1.7
203.06920	4.7
203.10712	2.3
203.14053	4.3
203.17923	100.0
204.08694	3.8
204.13815	3.9
204.18266	3.0
224.03488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.50808	1.4
53.03923	2.5
55.05269	1.7
55.05496	17.3
55.21477	1.4
56.96553	2.1
57.03438	1.5
57.07052	4.2
60.04271	1.4
60.04514	15.8
60.61666	1.3
65.03922	2.1
67.05493	26.1
68.05002	6.5
69.03426	1.9
69.06691	2.3
69.07053	29.9
69.41630	14.7
70.06587	1.6
71.08604	2.1
79.05473	12.8
80.26139	1.4
81.03370	1.9
81.07041	66.7
83.08598	12.1
84.04486	14.5
85.02873	3.7
91.05460	22.3
93.07026	26.5
95.08586	59.3
96.04481	10.7
97.02877	12.3
97.10139	2.0
98.06023	1.9
103.05434	3.4
105.07008	77.6
107.08574	33.3
109.06437	2.0
109.10134	44.4
110.06024	3.0
114.05511	11.4
115.05407	3.2
117.06982	5.0
119.08556	81.5
121.10127	24.3
123.11684	15.3
126.05497	19.5
128.06166	1.8
129.06990	3.7
129.47954	1.8
131.04878	3.9
131.08533	7.3
133.06540	1.7
133.10101	62.6
135.11647	11.6
138.05492	3.1
142.07739	1.7
143.08533	3.5
144.06505	3.8
145.06435	2.0
145.10092	19.7
147.04381	19.0
147.08118	2.0
147.11655	82.0
148.12366	3.4
155.08556	1.4
157.10071	4.2
157.64624	1.5
159.04366	2.8
159.11633	4.6
160.05176	1.7
160.12415	8.6
161.09505	2.8
161.13226	32.0
168.06557	3.7
175.03854	4.6
175.07446	2.0
175.11073	2.3
175.14792	8.7
185.09605	1.9
185.13191	3.4
186.07384	2.0
189.04303	1.6
189.11478	3.5
191.00795	1.5
203.03362	31.4
203.07018	5.2
203.10658	6.7
203.14230	19.8
203.17915	100.0
204.03775	1.8
204.06908	2.1
204.08597	11.4
204.10262	1.7
204.13803	12.4
204.18227	3.0
215.85938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1428
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03933	0.9
55.01847	0.7
55.05505	3.9
56.32255	0.5
56.96293	0.7
56.96553	6.6
57.03418	0.9
60.04517	2.5
65.03913	0.6
67.05495	6.5
68.05005	0.8
69.03403	1.2
69.06689	0.7
69.07054	9.5
70.98119	0.8
71.04980	0.6
71.18488	0.5
71.71484	0.6
79.05037	0.5
79.05487	8.3
81.06612	0.7
81.07048	8.3
83.04969	1.1
83.08591	2.2
84.04481	2.6
84.89106	0.5
85.02856	0.5
85.06523	0.9
91.05464	16.2
93.07022	8.0
95.04949	1.7
95.08595	6.4
96.04456	1.7
97.02865	1.9
97.06512	1.1
97.10150	2.3
99.08081	0.8
103.05453	1.2
105.07011	23.2
106.07352	0.8
107.04925	1.5
107.08557	6.4
109.06487	1.3
109.10120	1.8
114.05483	1.8
115.05435	1.2
117.07001	9.4
119.08562	23.3
121.06502	4.9
121.10094	1.3
123.08047	1.3
125.09599	1.6
126.05463	3.4
128.06210	2.3
129.05481	0.6
129.06989	8.9
131.08562	7.1
133.06396	1.2
133.10098	6.0
135.08025	2.2
141.06969	0.5
142.07742	1.5
143.08534	11.0
144.09271	0.7
145.10065	2.1
147.08055	2.9
147.11653	4.6
155.08563	0.6
156.06181	0.8
156.09268	0.6
157.10092	4.7
159.11661	7.5
161.09592	2.0
161.13217	2.9
168.06541	0.5
170.10892	1.2
171.03256	0.9
175.08804	0.7
175.11150	1.4
175.14807	5.8
183.11534	0.5
184.09320	1.1
184.59515	0.6
185.13226	15.4
186.13560	0.6
191.10057	1.9
191.60251	1.2
200.10574	0.8
203.03355	0.6
203.14285	100.0
203.17981	3.6
204.08646	2.2
204.14471	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	203.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
55.05498	2.0
55.40014	0.4
55.56170	0.3
56.05015	1.4
56.96556	20.4
57.03192	0.5
57.03430	5.3
58.06603	0.6
58.96178	0.4
58.99855	1.1
59.04982	1.1
59.06114	0.4
59.77915	0.3
60.04515	9.0
60.69917	0.3
60.95850	0.5
60.99599	0.4
61.02918	5.0
67.05480	0.9
68.05019	2.0
68.99768	2.0
69.03413	3.4
69.07059	12.5
69.67094	2.1
70.06586	4.4
70.98111	3.6
71.01340	1.3
71.04970	0.8
71.06110	1.3
72.04501	1.0
72.08142	16.8
73.02905	5.2
73.06533	0.9
74.97589	1.2
75.04464	0.8
77.00900	1.5
78.40165	0.4
79.05476	1.1
81.01897	0.5
81.03403	1.2
81.07041	0.6
82.06557	0.5
83.04977	0.7
84.01545	0.7
84.04493	2.6
84.08131	4.0
84.96025	0.8
84.99274	0.7
85.02896	4.6
86.06061	0.7
86.09692	100.0
87.00824	0.7
87.04449	0.8
87.10022	1.0
88.04006	0.5
88.08755	1.1
88.99140	3.2
89.00862	0.6
89.10785	1.7
90.02437	1.1
90.05566	0.6
91.00507	0.5
91.02448	1.1
91.05470	1.4
92.98651	0.4
95.06060	0.4
95.08584	0.4
96.04469	3.4
97.02869	6.2
97.06532	1.3
97.99156	0.5
98.02162	0.9
98.06045	2.2
98.21363	0.9
98.97567	4.5
99.02926	0.4
99.04446	0.9
100.01001	0.5
100.02475	0.8
100.99079	0.5
101.00854	4.6
101.02371	1.0
101.99718	1.5
102.00903	0.4
102.02391	1.4
102.96860	0.9
103.00600	1.2
103.01363	0.9
103.02431	1.5
104.01244	0.5
104.02144	1.4
105.00300	0.9
105.02132	0.7
105.04011	0.4
105.06966	0.6
106.01019	1.7
107.00189	1.1
107.01836	0.5
107.04908	0.4
109.00537	0.4
109.01366	0.9
109.03473	0.8
110.02122	1.0
110.06010	1.1
110.07180	0.4
110.97543	0.7
111.00223	7.6
111.00921	0.5
111.02927	1.4
111.53625	0.6
112.01009	0.8
112.07577	1.3
112.11230	1.6
112.52209	0.4
113.00870	0.9
113.02599	0.9
114.05511	2.8
114.09159	1.4
115.01514	0.9
115.02394	0.5
115.03874	0.6
115.07510	2.3
116.02084	0.5
116.07082	1.5
116.98608	5.2
117.01875	1.9
117.02859	0.5
117.03988	0.8
118.01010	3.2
118.01872	1.8
118.02673	0.4
118.03527	0.8
119.01899	24.8
119.02619	1.4
119.04945	0.5
119.08591	0.7
120.00739	4.6
120.01958	3.3
120.03438	1.1
120.97929	0.8
121.01639	12.4
121.03507	1.1
122.50998	0.9
123.01112	2.0
123.01941	0.4
123.02950	0.9
124.00978	1.1
124.01817	0.5
125.02634	4.1
125.52776	0.6
126.05506	2.5
126.09179	0.6
127.00578	0.9
127.01517	16.6
127.03950	1.2
127.51711	1.5
128.02229	0.5
128.98608	1.6
129.00362	0.4
129.01947	3.4
129.03972	0.6
129.07045	0.6
129.10178	0.6
129.13890	0.5
129.51765	0.5
130.01968	0.5
130.06519	1.0
130.07787	0.4
130.08617	2.1
131.00081	0.3
131.01872	4.7
131.02600	0.3
131.04924	0.6
131.99719	0.5
132.00723	0.6
132.01642	3.4
132.03363	0.8
132.10211	1.6
133.01537	6.9
133.02257	0.4
133.03429	6.1
133.10106	1.2
134.99638	3.9
135.01239	0.5
135.03104	0.6
135.05014	0.9
136.01981	2.8
136.53348	0.4
136.99966	2.1
137.02917	8.6
138.00629	0.5
138.01585	0.6
138.03188	1.2
138.05525	0.7
138.52315	1.9
138.98917	1.0
139.02647	6.9
140.00328	0.5
140.03227	0.4
142.02025	1.4
142.03497	1.4
142.07803	0.7
142.96513	0.6
143.01846	2.9
143.03484	1.1
144.01588	2.1
144.03319	1.4
144.05014	0.6
144.52362	0.7
144.98079	0.9
145.02380	1.0
145.03461	2.1
145.04881	0.4
146.00455	3.5
146.99611	2.8
147.01189	2.4
147.03140	0.6
147.04282	0.9
148.50769	0.5
149.01237	0.5
149.02892	2.9
151.02591	1.7
151.04405	2.4
151.53104	1.6
152.01323	0.8
153.01016	0.9
153.02147	6.0
153.04054	0.6
155.01927	1.3
156.01767	4.3
156.97488	1.5
156.99983	0.6
157.03415	2.5
157.07587	0.9
157.10075	0.9
157.51276	0.4
158.12851	0.8
158.52115	0.6
158.99667	1.1
159.05066	0.7
160.04552	0.4
160.97560	0.9
161.01804	0.6
161.02943	12.6
162.01767	1.2
162.03015	1.1
162.04329	0.8
162.99170	1.5
163.02623	0.5
163.04558	1.2
164.52980	1.2
165.00667	1.4
165.02356	0.7
165.04144	0.5
167.00951	2.2
168.13818	3.4
168.52049	0.4
171.01440	0.5
171.02882	0.7
172.97609	0.7
173.01489	0.7
173.02957	5.1
174.02962	0.7
174.04442	0.8
174.98508	2.4
175.00891	4.0
175.02534	0.9
175.04456	1.4
176.04057	1.3
177.00728	1.7
177.02408	1.1
178.98685	0.5
179.02359	0.6
179.03993	2.2
179.99092	1.4
180.01694	0.5
180.05176	0.8
184.04596	1.4
185.01456	0.4
185.02887	2.2
185.16522	1.2
186.04370	0.6
186.07550	0.8
186.14868	12.7
187.00932	0.5
189.00739	0.9
189.02444	1.5
190.98624	3.7
191.02275	0.8
191.03961	5.7
193.00278	0.7
193.01947	2.4
193.03772	1.2
195.01778	0.6
198.00136	1.3
201.02490	1.6
203.02107	3.1
203.03886	3.2
203.05472	0.7
203.07132	0.6
203.08093	0.6
203.10710	1.1
203.14201	2.2
203.17522	5.3
204.08629	2.5
204.13744	0.8
205.00183	0.7
206.98181	0.6
207.01767	0.9
207.03490	0.9
208.99715	1.1
217.00087	0.8
217.01981	0.9
219.01746	0.5
219.03735	0.8
221.03316	4.5
221.05116	1.7
223.01306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10297	2.1
55.01853	9.2
55.05490	6.8
56.05013	5.9
56.96557	69.3
57.03422	13.3
58.06592	2.3
58.62551	1.8
58.99858	4.3
59.04976	3.6
59.06080	2.0
60.04501	5.3
60.95828	5.1
61.02903	8.5
67.05479	4.2
68.05013	3.1
68.99760	5.2
69.03400	9.3
69.07051	7.1
70.02946	3.4
70.06573	14.0
70.10770	8.0
70.98100	8.5
71.01335	4.3
71.04980	3.3
71.95242	2.6
72.04488	2.7
72.08131	17.1
73.02901	11.4
74.97593	2.9
77.00892	3.1
78.72321	1.9
79.00618	2.1
81.03394	4.3
83.04990	2.2
83.97571	2.6
84.04477	14.4
84.08126	17.3
84.96008	4.1
84.99267	2.0
85.02892	12.8
86.06057	2.6
86.09694	44.1
87.04451	4.2
88.03980	4.1
88.99154	6.4
91.02398	3.8
96.04469	3.4
96.08110	2.0
97.02882	6.6
97.99160	3.0
98.06023	8.1
98.97570	17.8
100.02430	3.1
101.00858	11.8
101.02318	2.0
101.99701	3.7
102.00966	4.8
102.02169	5.1
102.05535	2.3
103.00560	2.2
103.02421	2.4
105.00270	3.0
106.01032	2.2
107.00179	3.6
109.02842	3.9
109.03484	2.6
110.01257	1.8
110.02103	3.1
110.09676	4.4
111.00218	9.5
112.01080	2.3
112.07569	6.6
112.11192	2.8
113.10719	2.1
114.00736	2.5
114.05519	5.9
114.09149	5.9
115.01453	3.8
115.02418	2.3
116.00193	3.9
116.02087	4.2
116.07072	4.1
116.98599	26.8
117.01835	10.7
117.02850	3.1
118.01012	3.9
118.03474	6.1
119.01901	100.0
119.02663	12.0
119.52757	2.4
120.00715	4.8
120.01987	41.8
120.03240	5.1
121.01652	31.2
121.03481	2.8
122.02016	7.5
124.04610	2.8
125.01262	2.4
125.02651	25.5
125.52762	4.1
126.02557	2.6
127.01527	34.2
127.02423	4.3
127.03935	2.5
128.98570	4.3
129.01794	7.0
129.10197	4.3
130.01836	4.1
130.04996	2.8
130.08615	11.3
131.00249	2.0
131.01848	14.2
131.02701	2.3
132.01979	3.5
132.03342	2.4
133.01546	19.6
133.03415	12.8
134.01199	6.3
134.99646	22.7
136.02007	6.6
136.53468	3.1
137.00003	3.7
137.02927	49.1
137.98314	3.5
138.03053	26.9
138.05437	3.0
138.09079	2.8
139.02647	11.6
139.52441	2.5
140.00487	2.3
141.06456	4.9
142.01834	3.4
142.03484	21.0
142.04962	7.8
142.08577	2.3
143.01796	4.6
143.03549	4.9
144.03407	3.8
145.03445	5.2
146.00395	2.5
146.01357	2.8
146.04103	3.2
146.99608	7.6
147.01270	6.5
148.02832	3.7
149.02855	6.8
150.00732	3.5
150.03070	5.4
150.98935	2.1
151.02502	7.7
151.04517	7.0
151.53067	3.0
152.03101	3.0
152.54823	2.1
153.00677	3.5
153.04240	4.0
156.01785	11.3
156.03244	7.1
157.03387	4.3
157.53081	4.3
158.00301	2.6
158.11739	5.5
158.99722	3.3
160.02858	16.2
160.04507	25.8
160.53612	3.5
161.01074	6.4
161.02911	25.6
161.04135	3.6
162.04321	2.7
162.99176	6.0
165.00703	3.6
166.02908	5.6
166.05031	3.1
167.00977	7.0
170.01248	2.8
171.99683	2.9
173.02943	5.6
174.03058	5.9
174.05574	2.6
174.98521	4.7
175.00801	5.2
175.11890	5.1
176.01123	2.8
177.00690	8.4
177.02429	6.8
178.03830	16.1
178.05392	4.1
178.98407	3.1
179.02081	11.2
179.03972	26.6
179.05455	4.1
184.02702	3.0
184.04414	4.6
184.05978	3.3
184.09630	2.9
185.16435	3.3
187.00789	2.7
189.00861	2.8
189.02460	5.7
190.98657	12.1
191.03989	13.6
192.04129	6.9
193.01906	2.9
193.03622	3.2
196.04877	2.9
196.99475	6.4
197.01149	4.2
197.02786	14.7
198.00218	2.4
201.02409	3.5
202.02580	14.5
202.03999	6.3
202.05460	7.5
202.07066	4.4
202.08771	3.7
202.10803	9.8
202.19316	2.7
203.02190	5.6
203.03918	5.1
205.00212	2.3
205.03889	2.3
208.99655	5.6
215.02069	3.5
215.03920	3.6
217.01999	3.2
219.03531	5.1
220.03497	30.6
221.03253	6.7
221.05148	2.5
223.01138	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	201.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.4
55.05485	0.7
56.96554	3.3
57.03429	2.3
57.94583	0.4
58.99853	3.7
59.99927	0.7
60.99595	0.6
61.02910	2.9
67.05499	0.5
69.03419	3.6
69.66239	3.9
70.06581	0.7
70.99835	1.2
71.04994	0.5
72.08161	0.5
73.02887	1.1
77.00893	5.4
78.00965	1.5
79.00649	1.0
81.03413	0.5
81.07038	0.7
82.99818	1.1
83.25610	0.4
84.04507	0.6
84.08135	0.9
85.02890	2.8
86.09679	0.9
89.00850	1.0
91.02426	1.2
91.05441	0.6
92.02506	1.3
93.02225	0.5
95.01350	0.8
95.01923	2.7
96.01993	1.0
97.02842	0.6
98.20681	0.6
98.97565	1.7
99.04401	0.6
100.02471	1.9
101.00863	15.0
101.02534	2.9
102.00915	0.5
102.02234	1.1
103.02433	4.0
105.00311	1.1
105.06984	0.7
107.02667	0.8
108.97715	0.5
109.03486	1.2
110.03545	0.8
113.02329	2.4
115.02417	3.0
116.98641	0.7
118.01134	1.0
118.01886	1.0
118.03497	2.0
119.01900	100.0
119.03601	3.8
120.01985	5.3
120.03237	1.2
121.01627	6.3
121.02407	0.7
121.03443	3.5
123.03185	0.6
124.02432	1.2
126.98744	1.0
127.03889	1.4
127.98826	0.9
128.06174	1.0
129.03815	0.6
131.01877	6.2
131.08543	0.7
133.01663	1.6
133.03445	28.9
134.03632	1.0
134.99631	1.1
135.02187	0.8
135.03200	1.3
137.02927	40.5
138.03053	3.2
139.02657	2.1
142.03497	5.8
143.01897	2.0
143.03622	1.3
143.08536	1.6
144.99808	13.0
145.03421	2.9
145.10114	0.7
145.99907	7.1
146.99596	2.4
147.01382	1.5
147.05014	1.0
148.01492	0.5
149.02950	2.9
151.00560	0.7
151.02657	0.6
151.04492	12.3
153.00706	0.7
153.04224	0.5
156.05051	1.4
157.03491	0.9
158.99661	0.5
159.01364	1.4
159.04941	0.6
159.11700	0.6
160.01337	0.8
160.04527	2.8
161.01566	0.9
161.02939	7.4
163.00835	4.2
163.04526	1.4
163.99821	0.5
164.00977	3.3
165.00647	0.9
165.02475	0.6
168.01422	1.1
168.99825	5.1
169.01564	7.8
170.01187	2.0
171.01393	2.2
171.05151	0.6
172.99269	2.4
173.02956	3.3
174.06039	0.5
177.00674	1.6
177.02438	7.5
177.04007	0.8
178.02524	8.9
178.05576	0.6
179.00778	0.5
179.02252	1.7
179.04005	0.6
187.00882	15.4
187.02589	2.4
189.02448	2.0
191.00432	2.4
191.04044	2.3
192.03111	1.0
195.01811	0.8
195.03435	2.8
196.03548	3.2
197.03371	0.6
200.04041	0.6
201.02423	6.7
201.04225	5.4
201.05962	1.0
201.12683	1.9
202.03842	0.8
205.01907	2.5
205.03601	0.5
207.03499	0.6
210.02455	1.5
215.00305	0.7
219.01770	0.9
219.03525	4.9
221.05135	0.6
224.05881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54974	2.2
56.05017	6.4
56.96301	3.3
56.96559	41.6
57.03416	3.4
58.99849	5.7
59.20522	2.2
59.99931	7.3
60.99609	2.6
62.80730	2.0
70.06564	8.0
70.15942	9.8
70.98099	3.6
70.99845	3.1
71.01366	2.1
71.95222	2.8
71.99912	5.5
72.08144	3.6
73.02882	2.7
74.09694	4.4
77.00885	5.7
78.00953	7.0
79.00634	2.3
82.06551	3.0
83.99981	2.0
84.04494	14.1
84.08128	2.6
85.02867	3.3
86.06059	4.2
86.09678	4.3
87.04440	5.2
90.00948	2.7
91.02445	2.4
92.29813	2.2
92.92216	2.0
95.01965	2.9
96.02029	3.2
97.02866	2.8
97.06554	3.1
98.97569	100.0
100.02464	5.6
100.07584	4.6
101.00880	10.9
102.00911	10.3
102.02224	5.0
103.00591	3.4
110.01280	2.7
116.98606	94.2
117.01973	2.6
118.03512	7.7
119.01902	37.3
119.02673	2.7
120.01988	58.5
120.03283	4.8
121.01653	15.3
125.02613	3.5
128.07054	12.1
130.03438	2.5
131.01854	13.4
133.03468	6.3
134.03662	17.1
134.99640	75.7
135.03142	6.2
136.04553	2.3
137.02917	11.4
138.03041	15.8
139.02673	3.6
140.00156	3.1
140.03398	20.1
143.03563	3.9
144.99797	8.7
146.08340	2.0
146.99606	3.2
149.02907	6.2
151.04410	2.0
152.04607	8.5
153.00719	15.5
153.01796	2.4
154.03464	6.3
158.01228	7.9
158.03191	3.3
158.04462	12.6
158.99617	2.6
160.04645	3.1
161.02835	3.3
162.02957	2.2
168.01486	6.2
172.04486	9.5
176.01021	13.7
176.02429	4.1
176.04065	6.7
177.00674	11.9
177.02394	14.7
186.92155	2.0
189.02461	2.4
190.05533	3.6
190.98724	1.9
194.02045	8.4
194.98019	2.4
195.01767	5.0
195.03453	6.6
199.18906	11.0
200.02283	3.6
200.03934	11.3
200.12753	4.9
201.02435	4.9
211.14024	2.0
218.01988	3.0
218.05135	8.0
219.01663	2.5
219.03532	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.29039	1.5
56.05034	3.6
56.96557	47.6
57.03433	3.4
57.07053	1.5
58.99855	7.1
59.99921	1.9
60.95842	2.3
60.99617	1.9
67.05501	1.6
69.03425	2.0
70.03945	8.3
70.06589	4.0
70.98113	4.8
70.99850	7.6
71.95247	2.9
71.99916	4.2
72.04513	3.4
72.08157	3.3
72.96064	1.3
72.99567	1.3
73.01370	1.3
73.02917	3.4
73.03381	1.4
77.00902	9.9
78.00971	5.5
82.01426	5.4
83.06039	1.5
84.04497	7.6
84.08129	4.5
84.96014	3.4
85.02890	3.8
86.09680	3.1
86.99321	1.9
88.99132	2.5
89.00858	4.3
91.02461	7.5
95.01936	5.8
96.02007	1.7
98.06059	1.7
98.97571	98.3
99.04455	2.0
99.97948	1.9
100.02475	20.1
100.07629	1.9
101.00854	10.7
102.00964	8.2
102.02228	3.2
103.00611	1.5
104.39011	1.4
105.00352	2.1
106.00984	1.2
107.00166	2.7
107.01841	1.7
109.03491	3.8
115.02435	1.7
116.98603	100.0
117.02052	1.5
117.98898	1.8
118.00304	1.8
118.03492	16.1
119.01905	47.0
119.02763	3.0
120.01987	41.3
120.03299	3.1
121.01672	11.6
126.98776	8.3
128.07092	1.8
128.98605	2.5
129.10208	2.8
131.01900	6.0
132.01945	2.9
133.03436	10.9
134.01451	2.3
134.03589	12.5
134.04773	2.0
134.99641	80.5
135.03163	5.3
136.04529	2.1
137.02911	15.0
137.04622	1.7
138.03056	13.1
138.51448	1.9
139.02646	2.2
140.00156	4.4
140.98515	1.7
142.01370	1.3
142.03479	5.1
143.00148	1.8
143.03648	1.5
144.99802	42.7
145.00928	2.4
146.99600	2.6
147.01366	2.7
149.01230	2.6
149.02956	5.9
150.00354	4.4
151.04510	3.9
152.04587	5.7
153.00702	15.7
154.03494	2.9
155.06519	1.5
158.00053	2.2
158.01196	8.3
158.99646	4.8
159.01395	6.5
159.04956	1.6
160.04549	2.4
161.01263	1.7
161.02927	4.4
162.03011	1.8
163.00873	5.8
168.01401	41.7
168.99736	1.4
172.02838	1.4
172.04465	2.4
173.02974	1.5
174.06055	1.7
175.00880	2.7
175.11943	2.2
176.00995	11.4
176.02342	5.7
176.04152	4.6
176.50905	2.4
177.00749	16.7
177.02428	54.5
182.00696	1.7
182.02995	2.0
186.02409	7.0
187.00810	3.0
190.02490	1.9
192.05478	1.8
194.02083	7.2
194.98050	1.4
195.01711	8.2
195.03502	15.3
199.18854	3.6
200.02313	2.6
200.03999	29.8
200.05763	2.4
200.09126	2.3
200.12608	2.9
201.02402	2.6
218.05196	3.7
219.01746	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	199.0962
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
53.03892	3.5
55.01818	3.7
55.05453	3.7
56.05801	0.8
56.96528	0.9
57.03392	0.5
57.07017	1.5
57.93514	0.8
58.07370	0.5
59.06067	1.6
60.29810	0.4
61.51396	0.4
64.24174	0.4
65.03902	1.0
67.05495	4.4
68.99754	0.5
69.03387	1.5
69.07067	3.2
69.83720	3.2
70.06554	0.5
70.07355	0.6
71.04961	0.8
71.08548	0.5
72.04456	1.2
72.55678	0.4
74.09711	6.5
75.33617	0.4
77.03889	0.7
79.05482	20.8
80.05795	0.6
81.03382	0.7
81.07042	6.6
83.04921	1.6
83.06042	0.6
83.08614	2.2
84.08104	0.7
84.08887	0.6
85.06486	0.4
86.06007	0.5
86.09689	3.4
91.05465	17.3
91.16623	0.4
93.07031	36.9
94.07347	0.8
95.04958	10.7
95.08578	2.5
97.02832	0.6
97.06512	3.4
97.07611	0.7
97.10089	0.6
98.10462	0.7
98.97523	1.3
100.07598	2.0
103.05464	3.1
105.03340	0.7
105.04458	1.7
105.06987	1.1
107.01235	0.5
107.04939	2.9
107.08584	0.7
109.06477	1.8
109.07537	0.5
111.04416	4.9
111.08049	3.2
116.97215	6.2
116.98546	1.7
121.06487	44.1
122.07015	0.5
123.04396	1.7
123.08051	13.9
125.02298	0.5
125.05978	0.9
125.07078	0.5
128.10667	0.4
131.99545	0.8
134.02849	0.4
134.95967	0.5
134.99597	1.5
137.05905	0.5
139.03899	0.9
139.07524	29.1
140.04675	3.0
140.08070	0.8
141.39598	0.4
143.08488	0.5
145.63092	0.4
149.05962	9.7
152.96887	1.7
153.05342	0.5
155.06995	1.1
156.09264	0.7
159.63586	0.4
166.93681	0.5
167.07016	100.0
168.07425	1.7
175.03867	0.5
175.98494	3.7
181.08545	1.0
185.08105	1.3
198.18573	0.8
199.07523	0.6
199.09543	0.8
199.11411	0.6
199.14987	1.0
199.18864	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	199.1477
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03925	1.1
53.59785	0.5
55.01848	0.5
55.05496	4.5
56.96535	0.9
57.07060	1.0
58.07384	0.5
67.05487	1.2
69.07055	5.2
70.80170	1.4
72.04497	0.5
74.09705	4.9
74.98032	0.4
79.05481	4.8
81.07038	2.6
83.08585	1.2
86.06074	0.5
91.05459	9.7
93.06440	0.7
93.07025	11.9
95.04946	3.0
95.08597	0.8
97.06464	0.5
98.10479	0.6
100.07593	1.2
103.05459	0.8
105.07008	18.4
107.08562	7.3
109.06503	0.5
111.04440	0.9
113.12815	0.5
115.05388	1.3
116.97224	2.8
117.06998	2.0
119.08559	21.3
121.10109	0.6
128.06207	8.7
128.39453	0.4
129.06989	9.2
131.08597	2.7
133.10089	1.5
134.99615	0.6
141.06950	5.6
142.07761	23.9
143.08543	33.9
144.09286	1.6
145.10057	4.4
152.96939	0.7
154.07747	0.6
155.08531	8.4
156.09323	13.9
157.10098	62.3
157.17850	0.6
158.10640	1.9
169.10100	16.5
170.10873	10.1
171.11662	21.5
175.98471	1.9
178.20241	0.5
183.11664	1.1
184.12440	18.9
185.12808	0.6
197.13208	0.9
199.14792	100.0
199.18802	22.0
200.15160	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	199.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01838	2.4
55.05501	4.5
56.05004	1.3
56.05831	1.1
56.96528	1.8
57.07047	1.5
57.93539	1.4
58.06573	0.7
59.06090	2.3
64.04597	0.6
65.03931	3.8
67.05505	4.0
68.05008	0.8
69.03391	1.6
69.04514	1.0
69.07060	4.1
70.06582	3.0
70.07361	0.5
70.15536	2.2
70.15910	1.0
71.04948	0.7
71.06081	0.6
71.08603	0.8
72.04484	2.4
72.08118	2.1
73.02871	0.6
74.09709	9.8
74.54630	0.6
79.05463	1.2
81.03383	1.0
81.07016	2.1
82.04158	0.5
82.06563	0.7
83.04948	1.0
83.06087	1.4
83.08605	3.2
84.04465	1.1
84.08101	2.4
84.08912	1.5
85.02906	0.9
85.07630	0.9
86.06052	1.1
86.09650	1.3
88.28068	0.5
91.05462	0.8
93.03394	0.9
93.06998	1.8
93.95612	1.0
95.04953	28.1
95.08597	1.3
97.02885	2.6
97.06498	1.9
97.07632	0.9
97.10143	1.2
98.06011	1.2
98.10435	0.7
98.97548	2.0
99.04428	0.9
99.05581	0.9
99.08026	0.7
100.07589	2.9
105.04485	1.8
105.06984	0.8
107.08570	1.0
109.06471	1.0
109.07684	0.7
109.10046	0.6
110.03624	2.3
110.07134	0.7
111.04427	8.8
111.05226	0.6
111.05550	1.1
113.07059	0.7
116.97207	12.1
116.98514	3.1
121.02832	2.3
121.06502	1.2
121.07635	0.5
123.03513	0.7
123.04412	11.1
124.08709	0.8
125.02337	14.3
125.05968	0.8
125.07117	0.6
128.06140	0.5
128.10686	1.4
129.07059	0.6
130.26442	0.5
131.99541	3.1
134.01266	0.6
134.02945	1.6
134.99620	3.3
136.07550	0.8
138.06554	0.6
139.03882	1.9
139.07468	0.7
140.04662	100.0
141.05005	1.3
141.06555	0.7
143.08525	1.1
148.96190	1.3
152.96899	3.6
153.00661	1.3
153.05476	0.8
153.09070	0.7
155.07001	10.3
155.08171	0.5
157.10033	0.7
166.02528	0.7
167.03409	1.7
167.07010	1.1
170.97919	0.9
171.07956	1.0
171.11690	0.9
173.08084	1.8
175.98502	9.2
181.04965	5.7
182.08000	1.3
182.09402	0.9
198.18413	1.3
199.03966	0.7
199.05884	1.6
199.07513	1.0
199.11719	1.2
199.14897	1.3
199.18861	49.9
200.09026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.05490	3.1
56.05025	17.7
56.05814	2.0
56.96561	5.4
57.03399	1.1
57.04541	4.0
57.93557	2.2
58.06591	1.5
59.06108	1.8
60.04507	1.6
66.12024	1.4
66.27559	1.0
69.07054	2.6
70.06587	1.5
71.04964	1.9
71.06110	1.2
71.69515	2.1
72.04485	3.0
74.09714	8.2
77.00892	1.7
81.03388	1.4
81.04514	1.3
83.06084	1.4
83.08598	1.4
84.69636	1.3
95.04935	1.2
97.07617	1.4
98.97572	17.6
99.05552	6.2
100.02463	5.8
100.07613	2.8
101.00864	5.9
109.07559	1.2
109.53505	1.2
111.04428	4.9
113.07091	1.1
116.00220	1.3
116.01921	12.5
116.05526	1.2
116.97227	16.3
116.98597	19.3
118.03501	28.7
119.01897	41.4
119.03606	2.5
121.01648	4.7
123.05508	1.2
130.03481	5.6
131.99580	3.8
132.05074	4.7
133.03412	1.8
133.04576	1.5
134.02972	100.0
134.04771	4.0
134.95827	1.2
134.99644	16.6
135.03169	3.3
136.04533	34.2
137.02936	22.9
139.02612	2.5
139.03580	3.2
141.05119	2.2
142.03534	5.9
146.02977	1.7
148.04529	2.2
148.51343	1.3
148.96126	2.1
149.06636	1.7
150.06073	3.1
152.04010	23.9
152.05876	2.8
152.96895	6.3
153.00702	4.0
157.03407	2.3
157.04549	26.3
157.05792	1.5
157.14601	1.1
157.97443	1.8
158.01254	1.1
158.02994	11.0
158.04877	1.3
158.51349	1.9
159.06122	1.6
160.04518	10.6
160.05804	1.4
161.02895	2.1
172.04539	5.7
173.07727	2.4
174.06007	2.1
174.98555	3.5
175.04012	4.2
175.05606	28.0
175.98500	10.2
176.02438	2.2
176.04041	37.7
176.05812	8.9
177.00951	4.9
178.05550	3.2
181.04765	2.7
189.06186	1.2
190.05576	2.7
191.08743	2.4
192.98759	1.1
193.05128	1.7
193.06734	10.1
194.05084	14.1
194.06926	3.7
198.07266	1.7
199.00438	1.2
199.04073	2.0
199.05713	15.5
199.07440	2.5
199.11429	1.2
199.18861	45.1
200.03995	3.2
217.04910	2.1
217.06880	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	198.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
56.96547	3.2
58.99848	5.4
60.08159	23.9
62.05881	2.5
68.05021	8.8
69.07071	6.5
70.49423	12.0
77.00878	4.7
82.01439	9.2
85.01413	5.0
87.57221	2.7
90.57629	3.5
95.06081	100.0
95.13802	2.6
98.97593	2.9
100.02473	73.8
100.03102	5.9
100.07625	3.8
103.02442	44.2
118.03508	76.3
119.01906	14.9
121.02753	2.4
121.03468	60.0
123.04066	5.0
126.03995	13.5
131.01900	30.6
133.01688	3.6
137.02986	6.2
141.05121	5.6
144.05046	21.8
147.01387	33.2
149.02940	22.9
150.03209	3.0
152.01958	6.1
154.03488	15.0
154.13347	21.5
165.02489	5.7
170.02977	87.4
171.03223	3.5
172.04575	9.9
173.03052	3.1
174.98544	5.1
175.00854	4.6
175.02823	2.8
188.04097	4.4
192.98775	3.4
193.04482	5.3
198.05313	16.2
198.12466	6.9
198.18509	86.5
215.71434	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	199.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29221	0.2
55.05499	1.0
56.05024	0.4
56.96553	4.2
57.03435	0.2
57.07059	0.4
57.93579	0.2
58.99854	8.5
59.99929	0.4
61.02916	0.3
67.05477	0.3
69.03416	0.4
69.07048	0.5
69.85352	1.3
70.98097	0.5
70.99844	6.8
71.95242	0.2
71.99924	0.3
72.04485	0.2
72.08138	0.6
72.66302	0.2
73.01412	0.3
73.02922	0.2
74.09705	0.7
75.94576	0.3
76.78642	0.2
77.00892	11.2
78.00964	0.4
78.04164	0.2
81.07015	0.2
82.01427	0.4
82.99808	1.0
83.08599	0.4
84.04481	0.3
84.08109	0.2
84.08932	0.2
89.00881	5.4
89.01416	0.4
90.00963	0.2
91.02458	1.0
93.07040	0.3
95.01928	4.1
95.04897	0.2
97.02858	0.3
97.99142	0.5
98.97565	7.2
100.02467	1.3
100.07603	0.3
101.00861	20.7
101.02534	0.6
102.00932	0.5
103.02417	0.9
107.01896	1.2
109.03486	0.6
111.04414	0.5
115.02390	2.0
116.00211	0.4
116.01917	0.4
116.97322	1.0
116.98597	6.7
118.03497	1.4
119.01897	100.0
120.01961	2.7
120.98032	0.2
121.01634	0.8
121.02438	0.3
121.03444	0.9
124.02441	0.5
125.02538	0.2
128.10681	0.5
128.98564	0.6
131.01877	1.8
132.04996	0.2
133.03442	28.7
134.01283	0.4
134.02869	2.1
134.99631	4.5
136.04506	0.6
137.02930	27.9
138.03017	0.6
140.03462	0.2
140.04634	0.4
142.03476	3.8
144.99765	0.3
145.03406	0.3
145.63324	0.2
146.99612	0.5
147.01392	0.3
149.02911	0.8
151.04495	10.2
152.04099	0.2
152.96968	0.3
153.00677	1.0
154.03468	0.4
156.05029	1.3
156.99748	0.9
157.02782	0.3
157.04573	0.7
158.01210	0.6
160.04567	0.6
161.02942	1.9
164.06880	0.2
171.01416	0.3
171.03094	0.3
171.11707	0.2
172.04510	0.4
173.01100	0.2
174.06137	0.4
175.00853	19.9
175.04047	0.6
175.05623	0.5
175.98444	0.6
176.00940	1.2
176.02325	0.8
176.04068	0.8
176.05673	0.3
177.00690	0.6
177.02435	0.6
178.19919	0.2
179.02586	0.2
179.03976	0.8
182.08070	0.9
185.01305	0.3
186.99211	0.3
189.02399	1.9
193.00276	0.6
193.01900	11.7
194.00478	0.4
194.02060	0.5
194.05034	0.4
195.03508	0.2
197.01363	0.4
198.02460	0.8
198.18495	5.0
199.00819	0.8
199.02489	0.4
199.04085	0.5
199.05779	0.6
199.18881	2.5
200.04050	0.5
217.00027	0.4
217.01897	2.9
217.05020	0.7
218.04991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
56.96547	3.2
58.99848	5.4
60.08159	23.9
62.05881	2.5
68.05021	8.8
69.07071	6.5
70.49423	12.0
77.00878	4.7
82.01439	9.2
85.01413	5.0
87.57221	2.7
90.57629	3.5
95.06081	100.0
95.13802	2.6
98.97593	2.9
100.02473	73.8
100.03102	5.9
100.07625	3.8
103.02442	44.2
118.03508	76.3
119.01906	14.9
121.02753	2.4
121.03468	60.0
123.04066	5.0
126.03995	13.5
131.01900	30.6
133.01688	3.6
137.02986	6.2
141.05121	5.6
144.05046	21.8
147.01387	33.2
149.02940	22.9
150.03209	3.0
152.01958	6.1
154.03488	15.0
154.13347	21.5
165.02489	5.7
170.02977	87.4
171.03223	3.5
172.04575	9.9
173.03052	3.1
174.98544	5.1
175.00854	4.6
175.02823	2.8
188.04097	4.4
192.98775	3.4
193.04482	5.3
198.05313	16.2
198.12466	6.9
198.18509	86.5
215.71434	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	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.26183	1.8
53.03916	2.4
55.01873	3.3
55.05271	2.5
55.05501	31.1
56.70765	2.1
56.96540	4.2
57.03410	4.9
57.07076	9.6
67.05492	40.2
69.07053	30.7
69.42256	20.3
70.06622	2.5
70.95845	9.3
71.01338	2.7
71.04982	14.5
72.93768	3.4
75.60294	2.0
79.05484	20.8
81.07043	80.5
83.04969	7.5
83.08613	22.7
85.06519	13.8
87.04443	2.7
89.27938	1.9
91.05465	28.1
93.07030	31.4
95.04919	5.6
95.08589	96.8
97.06515	30.6
97.10171	10.7
99.08056	6.9
105.07013	27.7
107.08565	20.6
109.06439	4.2
109.10130	11.8
111.08041	6.8
111.98448	5.9
113.06030	2.2
117.07008	2.6
119.08550	36.7
121.10124	12.2
123.08060	7.8
123.11680	2.5
125.09625	3.7
129.90019	2.0
129.99471	6.5
132.95816	10.4
133.10121	28.7
135.11656	28.0
137.09622	4.8
137.13219	26.6
141.06934	2.8
141.09006	2.6
150.96846	20.3
151.03842	4.6
151.14688	2.6
155.08580	3.6
155.97443	5.3
161.09566	4.5
161.13234	57.9
162.13596	2.1
167.08578	2.1
169.10089	4.5
173.98436	11.9
179.06917	1.9
179.10667	11.5
179.14270	32.7
182.10901	2.7
197.00053	2.3
197.09811	3.0
197.11555	9.3
197.13245	6.0
197.15373	11.7
197.16965	2.5
198.18509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03936	1.0
55.01858	1.2
55.05506	4.5
57.07070	1.9
58.56266	0.6
59.04994	2.2
67.05496	6.2
69.03416	1.8
69.07060	3.6
69.45897	1.2
69.46297	6.3
70.40917	0.5
70.95839	4.8
71.04973	1.3
72.93787	2.4
73.02912	0.7
77.03902	0.7
79.05481	7.8
81.03403	1.3
81.07045	8.9
83.04993	0.9
83.08602	2.2
85.06553	1.1
88.96861	1.0
90.94831	0.7
91.05469	19.1
93.07036	20.9
95.04963	6.9
95.08606	3.4
97.06523	1.5
99.04433	0.7
105.03346	1.4
105.07011	27.0
107.04228	0.6
107.04977	1.1
107.08578	66.8
108.08884	0.8
109.06492	6.1
109.10129	6.3
111.98457	3.1
113.08212	3.5
115.05453	0.9
117.06948	0.9
118.27431	0.7
119.04913	2.5
119.06072	1.1
119.08556	9.2
121.06467	6.5
121.10162	1.1
123.04412	3.4
123.08037	1.3
123.11702	2.7
125.05937	0.8
129.99490	2.9
131.08563	2.6
132.95799	5.4
133.10107	65.7
134.10507	1.5
135.08063	1.7
135.11673	52.4
136.12045	1.6
137.05971	4.5
137.08601	0.6
137.09557	4.5
138.06660	1.1
141.05449	1.0
141.06888	0.8
143.08505	1.0
146.07242	1.0
150.96852	12.0
151.03847	2.6
151.07495	1.2
151.11162	6.2
155.08359	1.1
155.09433	1.2
155.97360	4.5
161.09599	34.5
167.08533	2.2
173.98476	8.4
179.10643	100.0
180.10995	1.5
182.10860	1.3
197.00056	1.8
197.11696	66.8
197.13063	3.1
198.12061	1.1
198.18507	28.3
198.20348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02376	0.8
53.03936	5.4
55.01863	2.2
55.05503	5.8
57.03426	1.7
57.07066	1.6
59.04987	2.2
59.06105	1.1
65.03953	1.0
67.05495	5.2
69.03408	0.9
69.07050	3.4
69.40014	4.7
69.40446	3.2
70.95852	3.6
71.04980	1.3
72.93781	1.4
77.03899	1.8
79.05482	8.1
81.03391	1.2
81.07041	7.3
83.04971	1.6
83.08604	1.1
85.06548	1.0
86.09676	0.7
88.96897	0.8
91.05461	14.2
93.06445	1.0
93.07030	19.2
94.46684	0.8
95.04946	16.7
95.08591	3.3
97.06509	1.2
97.10179	0.9
99.04453	0.9
105.03377	100.0
105.04517	3.0
105.07012	23.7
105.07720	1.2
105.48309	0.7
106.03715	2.7
107.04945	0.9
107.08578	51.9
109.06498	5.5
109.10149	4.6
111.08060	0.9
111.98433	1.8
113.08241	4.4
113.96365	0.9
115.05424	0.8
119.04924	1.8
119.08552	7.5
121.06499	5.3
123.04406	7.3
123.08048	1.1
123.11694	2.6
125.05972	4.5
127.03879	2.0
129.99509	1.9
131.08568	2.0
132.95825	3.3
133.06459	1.1
133.10109	59.2
134.10449	1.6
135.08035	2.0
135.11674	45.6
136.12019	0.9
137.05960	6.1
137.08211	1.8
137.09583	3.9
141.05426	1.0
143.08559	1.2
146.07246	1.4
150.96858	8.9
151.03891	2.1
151.11166	4.8
152.07085	1.2
155.09261	3.9
155.97386	2.3
161.09593	25.8
162.09856	0.8
173.98431	5.2
179.07260	4.0
179.10645	75.5
180.11003	2.1
197.11699	43.1
197.17285	1.5
198.18506	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	197.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03940	4.2
55.01854	1.0
55.05504	1.4
56.96529	0.2
57.03421	1.4
57.07061	0.8
59.04983	0.8
65.03912	0.3
67.05501	2.2
69.03426	0.6
69.07043	0.6
70.06573	0.3
70.95847	1.2
71.30627	0.2
71.69428	0.4
72.93771	1.2
73.02898	0.5
75.37690	0.2
77.03912	1.1
79.05479	5.8
81.03393	0.7
81.07046	1.9
82.87165	0.2
83.04963	0.6
83.08606	0.5
84.04491	0.2
84.08112	0.3
84.14754	0.3
85.02869	0.3
85.06522	0.3
86.06018	0.4
88.96854	0.4
91.05462	4.9
93.07026	6.7
94.07829	0.3
95.04948	11.0
95.05956	0.4
95.08587	1.0
96.05605	0.2
97.02872	0.3
97.06500	0.4
98.07085	0.2
105.03371	100.0
105.04505	2.5
105.07004	8.6
105.07720	0.5
106.03706	1.1
107.04939	0.4
107.08570	18.4
109.06497	2.3
109.10117	2.0
110.07179	0.3
111.08086	0.3
111.98470	1.3
112.07522	0.3
113.05990	0.6
113.08200	1.7
115.05388	0.2
117.06991	0.4
119.04909	0.9
119.08548	2.5
121.06494	1.7
121.10148	0.4
123.04401	4.9
123.08038	0.6
123.11684	0.6
125.05985	1.3
127.03904	0.7
128.06288	0.3
129.99493	0.8
131.08507	0.6
132.95828	2.3
133.06393	0.3
133.10103	18.7
135.08005	0.6
135.11665	13.8
137.05957	2.7
137.08208	0.4
137.09576	1.4
141.05382	0.4
143.08574	0.5
146.07234	0.7
150.96854	4.9
151.03841	1.6
151.07491	0.4
151.11208	1.9
155.09222	0.9
155.97374	1.8
161.08247	0.4
161.09586	8.7
173.98462	3.9
179.07100	3.2
179.10632	26.1
180.11012	0.6
184.07974	0.2
197.00194	0.3
197.10353	0.7
197.11702	16.1
197.17235	0.5
198.11861	0.3
198.18524	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	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03161	0.3
53.03928	0.6
54.65754	0.3
55.01858	2.3
55.93518	0.3
56.05016	0.3
57.07047	0.4
59.06108	0.5
65.03928	2.1
67.05486	2.6
68.05000	0.3
68.99770	0.5
69.07057	0.5
70.06570	0.4
70.95842	2.0
71.05012	0.4
71.06100	0.3
71.68913	0.6
72.93783	1.3
73.02907	20.1
79.05481	0.3
81.07035	0.8
83.08629	0.4
84.04483	0.5
84.08107	0.3
85.02885	0.4
86.09702	0.6
91.05472	3.0
93.03377	0.6
93.07045	0.7
95.04958	2.1
95.06074	0.4
95.08581	0.4
96.05608	0.4
105.03375	0.4
105.07001	0.7
107.04947	0.3
107.08587	1.5
108.02071	1.9
109.02876	0.8
109.06480	0.5
109.10148	0.3
110.03641	2.7
111.04415	2.1
111.98463	1.5
112.01534	0.4
113.08233	2.8
113.96342	0.3
114.06627	0.3
114.80753	0.3
117.03399	0.4
119.04928	2.0
121.06443	0.2
123.08099	0.4
125.05969	13.8
129.99501	1.6
132.95798	2.1
133.10117	1.3
135.11707	0.8
136.01537	0.4
137.05965	0.9
137.08206	0.6
137.09602	0.4
138.06567	0.3
141.05438	3.8
144.61784	0.3
144.83003	0.3
147.04440	0.4
149.05948	3.0
150.96877	6.0
151.03885	100.0
151.04951	6.9
151.07423	3.3
152.04222	1.8
155.09261	1.3
155.97388	2.4
161.09615	0.6
168.97920	0.3
173.98480	3.6
179.07005	18.1
179.09303	0.7
179.10443	1.9
180.07445	0.4
197.00151	0.3
197.04361	0.4
197.06175	0.4
197.08078	4.5
197.10011	0.5
197.11725	1.2
197.17361	0.3
198.18489	6.4
205.26367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75251	0.5
55.05500	1.1
56.05024	6.5
56.96546	2.2
57.03418	0.6
57.07067	0.8
58.99854	1.0
59.06100	0.8
60.28959	0.4
67.05473	1.2
68.05005	0.8
69.03407	1.3
69.07056	1.2
70.06590	2.8
70.11159	1.4
70.11555	0.9
70.95859	2.4
71.04958	0.8
71.06089	1.4
72.04496	0.7
72.08117	0.7
72.93761	1.3
77.00881	1.1
79.05489	0.9
81.03395	0.6
81.07042	1.2
82.99824	0.9
83.06061	0.9
83.08596	1.0
88.96862	0.9
89.55428	0.5
91.05453	0.8
93.06992	0.9
95.01933	0.6
95.04971	1.2
95.06078	1.7
95.08570	1.5
96.05594	1.6
96.08080	0.7
97.02875	2.2
97.03869	0.5
97.06509	1.1
98.97555	1.5
100.02488	2.3
101.00856	5.5
101.07101	0.6
102.02248	0.7
103.02406	0.9
105.03387	0.6
105.07000	1.2
107.08575	2.1
109.02882	0.5
109.06542	0.7
111.98462	2.2
113.08229	11.1
114.04013	2.2
116.98611	2.1
118.03504	3.0
119.01899	40.2
119.08542	0.6
120.02027	1.1
120.03222	0.7
121.01620	1.4
121.03414	0.8
122.07204	0.6
128.01955	0.6
129.03961	0.8
129.99471	1.9
130.03442	1.3
131.01871	1.6
132.02112	0.8
132.05048	33.6
132.95833	2.9
133.03455	1.8
133.05118	0.7
133.10077	3.1
134.02908	0.8
134.99651	3.6
135.11661	1.8
136.04536	1.9
137.02933	23.1
137.08168	3.7
138.03088	1.1
139.02681	1.0
142.03479	2.8
143.03033	0.5
144.03223	0.6
145.03441	4.7
147.03764	8.9
147.04935	0.9
148.01457	0.5
148.02718	0.6
148.04469	0.9
150.06093	30.9
150.96880	7.7
151.02641	0.5
151.04529	1.1
151.06261	1.0
153.00807	0.5
153.05096	0.5
155.01909	0.9
155.03040	2.1
155.06682	1.6
155.09264	4.4
155.97418	1.9
156.00235	1.0
156.03194	0.8
156.05011	7.4
156.97441	0.7
157.03378	1.2
159.06108	0.7
160.04500	2.2
161.09584	1.1
163.04509	1.9
165.04814	5.8
169.03482	1.0
171.04929	0.8
172.04599	0.6
173.01166	0.9
173.02904	5.9
173.04129	4.4
173.07709	2.1
173.98468	5.6
174.00812	1.1
174.03081	3.4
174.06097	100.0
174.98622	1.3
175.02867	0.5
175.04500	1.0
175.06169	3.3
176.03992	1.2
177.00883	1.8
178.05484	0.7
179.06950	0.7
179.09212	2.7
179.10681	3.1
187.04474	2.7
188.04070	1.4
191.03899	2.7
191.05173	2.3
192.01979	0.8
192.04214	1.6
192.07138	33.5
193.05536	0.7
193.07343	1.5
197.00652	1.0
197.02698	1.0
197.04242	2.1
197.05911	1.0
197.06213	0.6
197.07732	9.2
197.10236	1.3
197.11717	1.5
198.06071	0.6
198.07864	0.9
198.18529	4.9
215.01663	1.6
215.05295	1.6
215.07185	1.2
215.09006	0.8
216.05353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16845	0.3
55.01854	0.9
55.05489	0.5
56.96562	2.7
57.03162	0.4
57.03429	7.5
58.03769	0.4
58.99859	3.8
61.02614	0.4
61.02917	7.8
65.31117	0.3
67.05476	0.6
68.98277	0.5
69.03425	2.1
70.06575	0.3
70.99854	2.5
71.01325	0.6
71.04957	0.5
71.48715	0.6
73.01431	0.4
73.02908	2.0
77.00896	4.7
78.00967	0.3
81.01903	0.3
81.07023	0.4
82.01438	0.8
82.99841	0.6
85.01379	0.7
85.02880	3.4
86.99323	0.4
87.00792	1.6
87.02842	0.3
88.99145	0.3
89.00886	2.2
91.02418	1.8
91.80312	0.3
93.07024	0.7
95.01358	0.7
95.01940	1.9
95.04935	0.4
95.08620	0.6
97.02888	1.0
98.97558	0.6
99.04436	0.4
100.02461	5.7
101.00861	18.1
101.02525	1.9
102.00928	0.8
102.02266	0.7
103.01334	0.5
103.02426	3.2
105.00341	0.6
105.07009	0.4
107.08591	1.0
109.03475	1.0
109.06511	0.4
110.02103	0.7
110.52155	0.4
111.02953	0.5
111.52969	0.5
113.00854	1.3
113.02376	1.3
115.01308	0.6
115.02402	2.2
116.02423	0.4
117.01999	0.3
117.53033	0.4
118.01861	0.5
118.02702	0.5
118.03509	4.9
119.01900	100.0
120.01981	4.6
120.03312	0.5
121.01617	1.4
121.03456	3.0
124.01764	0.6
124.95438	0.4
125.02702	0.5
126.03980	0.4
126.98770	1.1
127.02399	0.5
128.02304	0.4
129.00281	0.3
129.03984	1.3
131.01886	9.5
132.01944	1.4
132.05025	1.1
132.95752	0.3
133.01671	0.4
133.02383	3.3
133.03445	3.9
133.10161	0.8
133.52534	0.4
134.03575	0.8
135.03189	0.6
135.05034	0.4
135.11729	0.5
137.02933	29.3
138.01598	0.3
138.03015	1.6
139.02444	0.8
142.02934	6.9
142.53043	1.5
142.96432	0.8
143.01871	1.3
144.02032	0.5
144.05031	0.9
144.53171	0.5
144.99794	10.3
145.01587	0.4
145.03441	1.7
145.99942	1.1
146.01355	1.0
146.03531	0.7
146.99509	0.5
147.01355	3.5
147.04950	1.8
148.01794	0.3
148.02905	1.5
148.53044	0.4
149.02936	3.2
150.06181	0.7
150.96820	0.6
151.04594	0.4
153.53728	0.7
154.03456	1.4
155.01884	1.3
156.01988	0.5
156.05087	0.5
157.03456	1.7
158.03171	0.4
159.01392	1.2
160.04515	0.7
160.97552	0.9
161.02924	2.6
161.09506	0.5
162.02866	0.6
163.00868	2.6
163.02609	0.5
163.04491	0.6
165.02448	0.8
167.01894	0.5
167.03975	0.4
168.99797	2.8
169.99997	0.4
170.02963	4.1
171.01370	1.0
171.05098	0.6
172.04597	0.7
172.99316	2.3
173.00935	0.5
173.02867	2.1
173.99576	1.5
174.03151	1.5
174.06145	2.2
174.99345	0.4
175.00868	0.7
175.02614	0.3
175.04562	0.4
177.02437	3.2
178.02441	0.4
179.04086	0.3
179.10666	1.4
185.02991	0.9
185.75119	0.3
187.00853	7.3
187.04454	0.9
188.01028	0.6
189.00735	0.5
189.02437	1.0
191.00356	2.7
191.02078	0.5
191.03987	1.4
192.00500	2.2
192.04126	0.4
192.07120	0.4
193.00150	1.0
193.01878	0.8
195.03464	0.5
197.01053	1.6
197.02977	0.8
197.11642	0.7
198.18564	0.6
201.02490	0.9
203.04080	0.3
205.01953	2.7
212.98782	0.5
215.00288	0.9
215.02083	1.0
215.03946	0.6
219.03539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.15350	1.0
53.03936	5.1
55.01851	3.9
55.05504	20.1
57.03437	5.4
57.07065	2.5
65.03916	3.7
65.17761	1.0
67.05494	60.9
69.03396	1.8
69.07059	15.6
70.01368	6.0
71.01341	2.5
71.04968	8.1
79.05023	2.5
79.05481	47.2
81.02939	1.5
81.03403	20.1
81.07042	100.0
82.07377	1.8
83.04514	1.5
83.04970	19.0
83.08604	10.2
85.02903	1.9
85.06530	5.3
87.04448	1.2
91.04923	2.3
91.05467	34.0
92.05778	1.5
92.78316	1.0
93.03424	1.0
93.07029	63.7
95.04951	11.0
95.08593	41.5
95.09202	2.2
96.08904	1.0
97.06512	15.0
99.04424	1.1
99.08075	2.5
105.07012	14.5
107.04942	3.1
107.08577	29.2
108.08923	1.3
109.06511	7.0
109.10137	4.7
111.08054	7.4
113.05969	1.7
113.09646	2.3
115.05421	1.3
117.07014	14.7
119.08565	3.9
121.06486	9.7
121.10114	11.1
123.08080	1.7
125.06059	1.1
125.07072	0.9
131.08563	15.4
133.10114	17.3
135.08051	7.6
135.11671	38.6
137.06023	1.1
139.07495	3.0
145.02802	1.2
147.11607	1.4
149.09601	1.9
149.13232	20.6
151.11154	3.5
153.09055	1.8
159.11674	18.2
163.11076	1.2
165.06989	1.6
177.01755	1.1
177.05504	2.3
177.12706	12.1
180.09326	2.8
195.02872	5.8
195.06503	2.5
195.08543	1.2
195.11693	4.6
195.13768	28.9
195.15604	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	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	4.6
55.01860	4.0
55.05500	17.8
57.03426	6.5
57.07064	1.8
65.03918	3.4
66.28331	0.9
67.05492	62.4
68.99778	1.5
69.03416	3.4
69.06693	1.3
69.07054	18.5
70.06604	1.4
71.01340	2.8
71.04974	6.7
71.19023	2.0
71.19365	1.6
79.05478	46.7
81.03405	17.1
81.07040	100.0
82.07372	1.5
83.04962	15.1
83.08604	11.4
85.02879	1.8
85.06533	5.5
89.03902	3.0
89.06004	1.6
91.05460	41.4
91.06040	2.1
93.07027	65.8
94.07355	1.2
95.04957	10.6
95.08588	37.6
97.06509	12.9
97.07089	1.3
97.10146	1.5
98.06004	1.1
99.08073	1.9
103.05422	1.3
105.07014	13.4
107.04932	7.3
107.08571	29.1
109.06494	7.7
109.10150	3.7
111.04443	1.5
111.08069	6.0
113.05965	2.0
113.96426	0.8
116.06190	1.2
117.03361	3.1
117.06992	10.9
119.08570	3.3
121.06491	8.4
121.10134	12.0
123.07256	1.0
123.08046	2.8
123.11687	1.7
125.05961	2.1
129.06952	1.9
131.08543	16.5
133.06508	1.5
133.10103	27.5
135.04366	2.2
135.08047	5.0
135.10629	1.8
135.11665	33.9
136.11986	0.9
139.03923	1.1
139.07498	1.3
144.09271	1.1
145.02821	7.5
148.97321	1.2
149.05989	3.5
149.09637	3.7
149.13223	18.7
151.11157	3.5
152.06227	1.1
153.05447	1.2
153.09102	2.9
159.11650	15.6
160.11971	1.0
162.46718	0.9
163.03824	4.8
165.06970	1.4
167.07053	1.1
172.98808	1.3
177.05449	7.6
177.09041	1.1
177.12729	12.9
180.09270	1.6
195.02835	7.7
195.06496	2.7
195.08202	1.7
195.10097	2.2
195.11626	2.8
195.13705	18.5
195.15311	1.9
196.09616	1.6
196.16988	1.0
207.62503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	8.5
55.01854	17.5
55.05492	24.7
57.03429	50.2
57.82799	5.7
60.24334	5.5
65.03939	12.2
67.05502	68.2
69.03403	5.8
69.07058	60.4
70.06576	8.1
70.76013	16.9
70.76341	6.9
71.04980	10.5
73.26464	7.1
73.66046	5.8
79.05489	65.3
81.03391	12.2
81.07049	100.0
83.04945	20.1
83.08619	12.5
85.06511	20.1
89.03893	14.2
91.05474	38.0
93.07025	96.6
95.04953	21.2
95.08587	53.8
97.06501	27.3
102.49801	5.7
105.07026	28.3
107.04945	30.6
107.08575	57.5
109.06499	20.5
109.10093	8.6
109.98946	6.2
111.08055	15.8
117.03348	22.4
117.07034	7.2
119.08542	14.9
121.06477	21.2
121.10126	23.0
123.08054	98.7
125.05949	14.4
131.08549	24.1
133.10115	15.3
134.03616	9.3
135.04456	10.3
135.08023	11.0
135.11684	41.0
145.02826	28.7
148.97346	7.7
149.05956	16.3
149.13245	20.1
150.09155	7.5
153.09032	10.8
159.11685	18.0
163.03833	25.2
165.07021	9.8
167.08389	9.5
177.05441	41.0
177.09035	8.2
177.12755	30.7
180.09352	7.6
195.02873	35.2
195.06546	16.7
195.11621	19.9
195.13750	18.1
196.09718	8.6
196.16936	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	195.1375
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03944	7.6
55.01856	6.2
55.05501	17.1
56.96544	1.6
57.03429	6.6
57.07052	2.8
64.74382	1.7
65.03925	5.8
67.05489	87.0
68.05005	1.6
68.05809	2.2
68.96289	2.1
68.99754	2.9
69.03413	4.7
69.07053	18.0
69.35221	20.1
70.06573	3.1
71.04989	10.4
71.72944	1.5
73.02869	1.8
77.03898	1.8
79.05474	49.9
80.04994	2.6
81.03400	6.8
81.07037	100.0
83.01274	1.6
83.04962	10.6
83.08601	14.9
84.08147	2.2
85.02886	2.3
85.06518	4.2
85.48666	1.6
86.46612	1.6
89.03902	8.6
89.06023	4.5
91.05457	30.4
91.05970	2.8
92.02589	1.9
93.07023	68.7
95.04934	13.2
95.07998	3.2
95.08588	50.4
95.09195	3.2
97.06496	18.2
97.10097	4.0
98.06052	1.8
99.04450	3.2
99.08094	3.1
103.05487	3.1
105.04569	1.5
105.06998	13.2
106.04140	1.7
107.04934	22.0
107.08570	37.6
109.06502	11.8
109.10158	5.2
111.04442	3.3
111.08063	9.0
113.05962	1.7
115.05432	1.8
117.03334	14.9
117.03954	1.4
117.07009	16.4
119.04906	1.7
119.08552	4.8
121.02832	2.1
121.06491	9.0
121.10099	14.0
123.08060	3.1
125.09600	2.3
131.08534	15.4
133.06447	3.5
133.10100	19.0
134.03648	2.8
135.04385	9.1
135.07094	2.6
135.08032	10.2
135.08911	1.6
135.11671	49.0
137.06001	2.7
137.09589	2.1
139.11172	1.9
145.02826	28.6
145.03937	2.8
148.97354	2.7
149.05948	10.7
149.09589	8.1
149.13225	28.2
149.14311	2.8
149.97153	2.7
151.11162	5.7
152.04706	1.4
153.05461	1.7
153.09068	3.7
159.11661	26.7
163.03868	12.7
165.05548	2.0
165.06953	3.2
167.07089	2.5
167.08583	2.6
168.10063	1.7
171.98875	2.4
177.05440	36.8
177.09013	3.7
177.12727	21.6
177.16336	3.0
178.05948	2.1
178.08578	2.5
180.07903	1.9
180.09418	2.3
186.05499	1.9
195.02841	16.6
195.06583	7.8
195.08105	3.1
195.10101	4.7
195.11659	5.9
195.13786	24.3
195.15459	2.7
196.16939	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	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03929	4.3
55.01857	3.6
55.05500	18.7
57.03432	6.4
57.07053	1.6
65.03925	3.0
67.05489	70.2
69.03410	6.0
69.07054	18.1
69.98982	1.7
69.99389	4.0
71.01339	2.5
71.04972	6.1
72.88153	0.8
73.02908	1.2
79.05478	45.6
81.03402	24.2
81.07039	100.0
82.07396	1.9
83.04966	17.9
83.08611	10.5
85.02867	1.7
85.06538	4.4
89.05986	1.5
90.25201	0.9
91.05020	0.5
91.05460	35.9
93.07024	68.4
95.04942	10.5
95.08002	1.9
95.08588	33.6
95.09198	1.8
97.06508	13.3
97.10148	2.0
99.04482	1.9
99.08081	2.7
105.04527	1.3
105.07011	13.3
107.04932	2.9
107.08573	27.1
109.06526	3.5
109.10152	3.7
111.08060	6.2
113.06027	1.0
115.05447	1.6
117.06982	12.9
119.08575	3.2
121.06478	9.4
121.10123	10.4
123.08053	1.0
125.06004	1.0
127.78944	0.9
129.06958	1.2
130.07767	1.1
131.08546	14.5
131.09460	1.4
133.10103	19.3
135.08040	3.8
135.11658	27.5
135.12640	2.0
149.09590	1.9
149.13237	18.1
151.11180	3.1
153.36572	0.9
155.81477	1.1
159.11656	16.8
167.08517	1.4
177.12735	11.7
191.03464	1.0
195.02840	1.8
195.11845	1.8
195.13762	16.5
195.15517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.12672	0.8
51.02361	1.1
52.20276	0.7
53.03942	4.4
55.01866	5.5
55.05500	20.9
57.03432	7.6
57.07055	1.0
65.03919	3.5
67.05493	71.6
69.03411	2.2
69.07055	19.8
71.01337	2.6
71.04982	8.4
73.02907	0.9
77.03933	0.9
79.05481	48.4
80.05789	1.1
81.03403	21.2
81.07042	100.0
83.04964	19.1
83.08606	12.1
85.02885	3.3
85.06517	3.9
91.05466	35.0
93.07028	69.7
95.04957	10.5
95.08590	36.7
95.09198	2.0
97.06517	15.8
97.10130	1.1
99.08065	3.5
103.05431	1.1
105.04533	1.2
105.07005	14.3
107.04931	2.4
107.08575	31.2
109.06493	3.8
109.10128	4.3
111.08073	6.9
115.05406	1.0
117.06997	13.1
119.08571	3.9
121.06498	5.8
121.10131	10.6
123.08032	1.4
123.11673	1.4
123.98624	1.0
129.06955	1.4
130.60973	0.9
131.08548	15.8
133.10114	18.6
135.08064	5.1
135.11667	32.5
139.07555	1.0
139.11073	0.9
147.11636	1.4
149.09604	1.9
149.13229	20.0
149.50488	0.7
151.11206	1.9
159.11670	16.1
159.82864	1.0
177.12729	10.9
195.02850	1.5
195.11882	1.6
195.13776	18.6
196.14221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02361	0.8
51.90061	0.7
53.03937	3.9
55.01862	2.6
55.05503	14.9
56.61353	0.7
57.03432	4.7
57.07061	1.8
59.04970	0.7
65.03931	4.1
66.12508	0.7
67.05495	62.5
68.05824	1.3
69.03418	2.3
69.07056	13.7
70.24082	3.5
71.01360	0.8
71.04978	6.0
79.05482	36.9
81.03406	10.6
81.07042	100.0
82.03716	0.7
82.07382	2.5
83.04964	11.8
83.08594	6.2
85.02885	2.5
85.06519	3.7
89.06024	0.9
90.54175	0.8
91.05465	25.7
91.06050	1.4
92.81158	0.8
93.07028	62.1
95.04952	7.7
95.08590	42.8
95.17545	0.8
97.06520	11.2
97.10162	2.0
99.08080	1.4
105.04479	0.8
105.07018	9.7
107.04944	1.8
107.08575	24.9
109.06500	3.5
109.10148	2.2
110.52422	0.8
111.08068	4.4
115.05489	1.0
117.03375	0.8
117.06992	10.3
119.08574	3.4
121.06475	5.7
121.10130	9.4
123.11723	1.1
131.08540	11.7
133.06647	0.8
133.10110	13.3
133.11035	1.3
134.10480	0.9
135.04379	0.9
135.08046	3.9
135.11673	33.7
136.12022	1.2
139.07520	0.9
144.09335	0.8
145.02879	2.2
149.05949	1.3
149.09608	2.0
149.13229	17.7
149.97279	0.9
151.11104	1.0
153.09068	1.1
153.12817	0.7
157.10091	0.8
159.11674	14.5
165.06981	1.8
177.05455	2.0
177.12717	10.7
195.02859	5.6
195.08307	1.0
195.10056	0.9
195.11693	2.7
195.13815	11.6
195.17468	1.3
196.17017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	4.7
55.01853	3.7
55.05503	20.9
57.03426	6.0
57.07064	1.9
65.03918	3.4
67.05492	69.6
69.03408	1.9
69.07059	17.8
70.02740	3.8
70.03153	2.1
70.07372	0.8
71.01324	2.0
71.04977	6.8
79.05479	47.9
81.03404	26.2
81.07043	100.0
82.07367	1.8
83.04967	18.3
83.08596	9.7
85.02876	1.2
85.06514	5.8
91.05466	37.3
93.07028	65.5
95.04951	9.9
95.08588	35.3
97.06506	15.3
97.10165	1.0
99.08129	1.1
105.07010	12.9
107.04939	2.8
107.08575	26.7
109.06492	3.3
109.10136	4.1
111.08066	6.5
113.09554	1.0
115.05378	1.1
117.07010	13.0
119.08557	4.4
121.06494	8.6
121.10124	14.8
123.11682	1.3
131.08557	16.6
133.10109	19.5
135.08031	5.1
135.11662	32.1
139.11224	1.2
144.09264	1.6
145.10074	1.2
149.13248	20.4
151.11174	3.3
159.11676	14.3
163.11122	1.1
177.05301	1.2
177.12758	12.0
195.02928	1.3
195.06390	0.9
195.11929	1.9
195.13788	17.4
195.15585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	5.3
55.01847	3.4
55.05500	21.8
57.03429	7.9
57.03662	1.6
57.07047	1.6
65.03930	4.1
67.05489	65.9
67.90544	1.2
69.03429	2.1
69.07056	13.7
69.90057	5.5
69.90481	3.0
71.01340	1.6
71.04975	9.7
79.05476	61.0
80.05777	1.5
81.03405	16.1
81.07039	100.0
82.07355	1.6
83.04960	33.7
83.08621	10.1
85.06525	5.3
89.05982	1.3
90.25356	1.3
91.05463	33.7
93.07025	76.6
94.07384	1.6
95.04950	13.9
95.08584	43.3
97.06507	15.8
99.08073	1.4
103.05403	1.4
105.06996	15.1
107.04923	1.8
107.08571	28.9
109.06501	18.0
109.10123	4.3
111.08059	5.7
115.05428	1.2
117.06999	14.9
119.08537	4.0
121.06506	6.6
121.10119	10.5
123.08043	2.4
123.11653	1.5
131.08557	18.6
133.10094	17.8
135.08008	6.4
135.11659	29.8
149.09575	2.7
149.13219	15.3
151.11119	1.8
159.11650	22.5
165.07091	2.5
177.05518	1.4
177.12708	11.2
178.13028	1.5
180.09273	2.3
195.11707	3.9
195.13786	22.0
195.15446	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	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02347	1.5
53.03926	4.7
55.01853	5.6
55.05272	1.5
55.05507	19.4
56.96559	6.0
57.03436	6.4
57.07055	4.1
65.03912	3.8
66.10023	1.4
67.05494	72.3
68.99754	1.5
69.03384	2.1
69.07056	21.9
71.01353	2.8
71.04987	6.5
71.70553	2.3
79.05024	2.6
79.05482	52.7
81.03400	22.3
81.07043	100.0
83.04966	20.7
83.08599	11.8
85.02880	2.4
85.06503	6.9
89.06005	3.6
91.05463	42.9
93.07032	73.1
94.07323	1.7
95.04954	13.1
95.08591	42.1
97.02328	1.4
97.06519	17.8
97.10178	1.8
99.04414	1.2
99.08064	2.9
103.05404	1.6
105.07016	14.2
107.04919	4.0
107.08575	28.8
109.06515	2.7
109.10138	6.6
111.04420	2.2
111.08067	8.2
115.05385	1.5
117.07008	15.3
119.08568	7.2
121.06493	11.3
121.10131	16.4
123.08030	2.5
123.11662	2.0
125.09562	1.7
129.06982	1.5
131.08549	16.2
133.10095	20.1
135.04385	1.7
135.08028	5.8
135.11668	31.4
137.06004	1.8
139.07512	2.3
144.09247	1.4
145.02908	6.1
147.11705	1.4
148.97290	1.5
149.05914	2.0
149.09605	1.8
149.13243	18.1
149.97252	1.3
151.11127	1.8
153.09071	2.6
159.11685	18.0
163.03833	2.7
165.06987	5.9
166.07794	1.6
167.07100	1.7
167.08557	5.5
168.94006	1.3
177.05429	4.7
177.09122	1.8
177.12720	14.6
180.09291	4.0
180.52808	1.3
195.02888	12.1
195.06561	3.1
195.08258	1.6
195.10123	1.5
195.11617	10.8
195.13773	19.0
195.15610	2.7
196.16913	1.9
207.00978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03928	1.9
55.01853	3.3
55.05502	8.2
56.96542	2.9
57.03428	37.6
57.07066	1.8
58.03751	0.8
65.03936	1.4
67.05497	23.5
67.55176	0.7
68.99771	1.0
69.03412	1.2
69.07063	7.2
69.92818	0.7
70.06538	1.1
70.68718	2.9
71.04964	1.9
75.04464	1.9
79.05022	1.1
79.05483	19.3
81.03410	6.1
81.07046	27.9
83.04981	5.2
83.08582	2.4
85.06531	8.8
89.03908	2.1
89.06020	2.1
91.05458	10.4
93.03381	1.2
93.07028	28.9
95.04956	11.7
95.08591	28.9
97.06522	6.0
99.08053	1.9
101.06046	0.8
103.05460	1.3
105.04486	0.8
105.07023	8.8
107.04945	4.3
107.08574	13.2
109.06522	4.2
109.10130	1.6
110.06071	0.8
111.04407	1.8
111.08067	5.7
117.03373	2.2
117.06995	4.0
119.08562	2.7
121.06471	4.1
121.10118	7.1
123.08050	100.0
124.08367	2.3
125.05980	1.1
131.08542	5.2
133.06450	1.0
133.10098	3.3
135.04410	2.6
135.08022	4.3
135.11684	10.8
137.09616	1.8
139.07533	1.0
139.11180	3.5
145.02806	4.4
148.97379	1.8
149.05963	2.5
149.09607	1.8
149.13261	6.0
150.09087	0.9
151.11223	0.8
153.09062	1.8
153.97855	1.0
159.11670	6.1
163.03867	4.3
165.07008	1.6
167.07040	1.1
171.98926	1.0
177.05458	6.7
177.09021	1.7
177.12703	8.0
177.16397	1.0
180.09357	1.1
195.02936	4.6
195.04477	0.7
195.06459	1.9
195.08069	2.1
195.10066	1.8
195.11647	3.2
195.13808	7.8
195.15131	0.8
196.16951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	5.2
55.01868	4.7
55.02098	0.8
55.05504	17.5
56.96553	1.6
57.03416	7.2
57.07059	2.2
59.04986	0.9
65.03927	3.6
67.05497	63.8
69.03422	2.0
69.07063	16.6
70.17960	0.8
71.01342	2.3
71.04993	7.5
71.71530	1.5
73.02919	2.2
79.05483	47.7
80.05827	1.2
81.03408	13.6
81.07047	100.0
82.07401	1.6
83.04969	23.9
83.08599	10.3
85.02898	1.4
85.06539	4.6
87.04491	0.9
89.06004	2.4
91.05469	33.5
91.06035	1.9
93.03330	1.0
93.07034	69.5
95.04950	10.9
95.08595	39.8
97.06517	14.7
97.10146	1.6
99.04453	1.9
99.08096	2.6
103.05450	1.3
105.04446	1.0
105.07021	12.7
107.04942	3.7
107.08584	25.1
109.06492	8.0
109.10143	4.8
111.04453	1.4
111.08054	6.6
117.07005	13.1
119.08580	5.1
121.06478	7.4
121.10122	11.4
123.08072	1.9
124.04915	1.0
125.05988	1.3
125.09636	1.2
129.06979	1.7
131.08554	15.5
133.10118	19.2
135.04364	1.1
135.08043	5.7
135.11681	31.5
136.12059	1.6
137.09491	1.0
139.07509	1.3
141.59557	0.8
144.09346	1.0
145.02802	1.4
147.11668	1.9
148.97404	1.1
149.06018	1.5
149.09653	3.3
149.13245	19.4
149.97256	0.9
151.11165	2.1
159.11678	19.1
163.03917	2.1
165.07063	1.5
167.08485	1.1
174.51097	0.9
177.05489	3.5
177.08960	1.0
177.12727	15.6
180.09325	2.1
195.02843	6.0
195.06529	2.0
195.08257	0.9
195.10190	1.2
195.11726	3.4
195.13776	22.7
195.15561	1.9
196.06137	1.0
196.09599	1.0
196.16977	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	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	6.0
54.27433	1.0
55.01850	4.6
55.05502	20.9
56.96542	2.5
57.03429	6.2
57.07052	4.2
65.03918	4.2
67.05492	73.4
68.05817	1.3
69.03401	2.3
69.07057	20.7
70.67255	3.1
71.01326	3.2
71.04984	6.9
73.02879	1.6
73.21135	1.0
76.46214	1.0
79.05479	45.7
81.03394	15.1
81.07038	100.0
82.07366	1.7
83.04963	13.3
83.08596	10.9
85.02876	1.9
85.06517	3.8
89.03870	1.6
89.06001	1.6
91.05463	38.8
93.07027	69.2
95.04956	11.0
95.08585	38.6
97.06511	15.8
97.10103	1.0
99.08076	3.1
103.05502	1.3
105.07004	14.7
105.95866	1.3
107.04937	2.4
107.08572	32.4
109.06483	3.5
109.10119	4.1
111.08024	5.6
115.05421	2.1
117.03359	1.7
117.07000	15.1
119.08564	4.3
121.06447	6.7
121.10114	10.3
123.07988	2.0
123.11665	2.4
128.97849	1.1
129.06993	1.4
131.08549	15.3
132.73524	1.1
133.10098	24.8
135.08041	5.3
135.11664	35.0
136.11996	1.4
144.09352	1.3
145.02795	2.0
148.97278	1.2
149.02229	1.4
149.09636	2.5
149.13216	19.3
149.97166	1.3
151.11147	4.9
153.09134	1.4
159.11687	18.6
163.03911	2.4
165.06964	2.5
167.08733	1.2
176.09578	1.7
177.05438	4.5
177.12706	13.1
180.09300	2.6
195.02850	6.3
195.06578	1.4
195.08292	2.1
195.11639	5.0
195.13765	17.5
195.15486	1.9
196.16907	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	195.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57561	0.3
53.03946	0.8
55.01861	1.2
55.05502	3.1
56.96561	0.7
57.03432	1.0
57.07066	2.1
57.51192	0.5
65.03934	0.6
67.05499	6.1
68.99780	56.0
69.03420	2.7
69.07061	4.8
69.40611	4.8
70.06594	0.8
71.01344	0.5
71.04980	1.3
72.08150	0.5
77.15422	0.4
79.05482	6.4
81.03393	1.4
81.07042	8.5
83.04972	4.9
83.08599	2.4
84.08096	0.8
85.02879	0.7
85.06542	0.6
85.10168	19.2
89.03901	2.1
89.06009	1.0
91.05466	4.9
93.07026	6.2
95.04952	2.5
95.08595	3.1
97.06517	4.3
97.10127	0.9
97.32735	0.3
103.05449	1.1
105.07018	2.6
107.04936	6.6
107.08577	14.9
109.02817	0.4
109.06503	1.8
109.10151	2.7
110.07174	0.6
111.04431	3.5
111.08074	2.6
117.03347	3.6
117.07008	1.3
119.08589	0.6
121.02852	0.6
121.06468	1.8
121.10146	2.2
123.04482	0.7
123.08025	0.5
123.11649	0.6
125.05994	0.5
125.09614	33.3
126.09885	0.7
130.96278	0.5
131.08514	1.5
133.02864	0.5
133.10092	1.2
134.03609	1.0
135.04396	2.5
135.08032	4.9
135.11679	3.4
137.05981	2.2
137.09570	0.8
139.03920	0.5
139.07535	0.7
145.02838	6.5
148.97322	1.2
149.05968	2.5
149.09596	3.8
149.13226	1.5
149.97131	0.7
150.03081	0.5
151.07503	0.5
151.11258	0.4
152.04723	0.5
153.09084	100.0
154.06210	0.6
154.09427	1.5
155.07021	1.7
159.08087	0.7
159.11676	0.9
163.03877	4.0
163.07561	0.7
165.07016	0.9
167.07019	1.1
167.08440	0.7
171.98883	0.8
177.05443	7.9
177.09050	2.3
177.12727	1.2
177.16338	1.0
180.09320	1.0
186.05336	0.6
195.02840	4.5
195.06429	2.5
195.08270	0.9
195.10114	15.7
195.11597	1.3
195.13789	1.5
195.15480	0.6
196.09502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03924	1.4
53.26054	0.9
55.01856	1.3
55.05494	3.0
56.96559	2.2
63.02372	1.2
65.03939	1.4
67.05482	2.4
68.04984	1.1
69.03409	1.7
69.07052	2.3
69.15185	0.8
69.96178	4.2
70.06561	1.5
71.06828	0.8
71.69189	2.0
71.94088	1.7
72.55634	0.8
75.32820	0.9
76.18128	0.9
78.04673	1.1
79.05482	5.6
80.05033	1.1
80.05781	0.9
81.03404	2.1
81.07047	4.6
83.04961	1.7
83.06092	1.5
83.08603	1.3
84.08138	1.3
85.02870	2.2
85.06537	0.8
86.06046	1.0
89.03901	29.6
89.06007	2.5
91.05454	6.8
93.07014	8.1
95.04969	5.3
95.06085	1.2
95.08585	2.9
97.02872	1.5
97.06454	1.4
98.06059	0.9
98.97585	1.5
103.05446	3.3
105.07021	3.9
106.04150	2.3
107.04937	8.3
107.08575	4.6
108.05603	1.1
109.06515	1.6
109.07640	0.9
109.98919	1.0
111.04420	3.0
111.08035	1.4
116.98594	1.4
117.03358	55.1
119.08599	1.2
120.17133	0.9
121.06494	5.3
121.10124	3.8
123.08024	1.4
125.05963	2.6
125.09566	1.0
130.04939	0.9
130.96300	1.0
131.08601	2.1
131.96123	5.3
134.03613	9.7
134.99605	1.2
135.04405	12.9
135.07095	1.4
135.07956	4.3
135.11668	2.8
137.05965	1.3
137.08069	0.9
137.09593	1.5
138.06618	1.0
139.03886	1.1
139.07541	1.1
145.02820	82.3
146.03189	3.1
148.97333	3.6
149.05952	26.9
149.09630	2.8
149.13216	1.2
149.97186	17.5
150.06500	0.9
153.05447	2.4
153.09058	1.0
153.98009	0.9
154.97711	4.0
159.11708	1.2
162.03152	2.5
163.03873	10.9
165.06903	1.0
167.06990	1.6
167.08446	0.9
167.10637	0.9
167.98224	3.1
172.98779	9.5
177.05438	100.0
177.08995	2.5
177.12726	1.4
178.05789	3.7
178.08501	1.2
186.05511	3.9
195.02859	11.0
195.04657	1.2
195.06505	5.8
195.08287	2.7
195.10141	2.9
195.11681	1.5
195.13843	1.6
195.15706	2.4
196.09700	1.6
196.16977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0285
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
51.02386	0.3
53.00322	0.3
53.03939	1.5
55.01864	2.0
55.05504	0.7
56.05028	0.3
57.03428	39.5
57.07054	0.4
58.03797	0.3
65.03928	2.9
67.01876	0.6
67.05497	0.9
68.99782	6.7
69.03391	1.2
69.07069	0.5
70.06593	0.4
71.04970	0.6
71.69106	0.3
71.69485	0.3
72.85664	0.2
79.01837	0.3
79.05505	1.5
81.03406	13.7
81.07052	1.2
82.06604	0.4
83.01328	2.1
83.04958	0.8
83.06103	0.4
83.08614	0.8
85.02892	81.2
86.03237	0.6
89.03907	1.9
89.06023	0.3
91.05460	1.3
93.03416	1.2
93.07041	1.5
94.06586	0.3
95.04962	1.5
95.06056	0.4
95.08590	0.7
97.02876	7.7
97.06532	0.7
99.04433	0.7
99.05545	0.2
103.03943	0.6
105.06990	0.5
106.04147	0.3
107.01303	4.2
107.04958	1.1
107.08562	0.8
109.02865	10.1
109.06502	0.6
110.03654	0.4
111.00789	3.6
111.04408	0.8
111.05599	0.4
117.03355	3.5
117.06959	0.3
119.08557	0.3
121.02851	8.7
121.06500	0.8
121.10129	0.8
123.08040	0.3
125.02332	14.0
125.06006	0.4
126.02686	0.4
127.03907	1.9
129.01852	0.4
129.93857	0.3
130.96193	0.4
131.08595	0.4
134.03630	0.4
135.00787	0.7
135.04390	0.9
135.08034	0.9
135.11658	0.7
136.08737	0.4
137.09528	0.3
138.06638	0.4
139.03940	1.3
139.04890	0.2
139.07611	0.4
145.02818	5.7
145.03915	0.4
148.97360	0.5
149.01202	0.5
149.02310	5.3
149.05946	1.9
149.09630	1.0
150.10199	0.3
153.01808	6.0
163.03889	0.9
163.07495	0.4
165.06961	0.4
167.03381	4.4
167.07063	0.4
171.02863	13.2
177.01814	4.9
177.03935	0.5
177.05438	8.0
177.09038	0.9
177.12624	0.3
195.02861	100.0
195.13853	0.6
195.15877	0.5
196.03221	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	193.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01870	5.0
55.05501	13.6
57.03424	3.9
57.07064	4.4
59.04983	1.1
65.03929	2.2
67.05494	19.6
69.03419	10.5
69.07059	9.8
70.06562	0.8
71.04974	3.9
71.19153	0.6
71.31922	1.2
79.05483	22.4
79.05927	1.3
81.03408	26.9
81.03884	1.5
81.07046	22.3
83.04970	15.8
83.08605	9.9
85.06532	2.7
87.04457	1.1
89.03886	0.7
90.04671	1.2
91.05463	17.9
93.07031	14.5
95.04327	0.9
95.04956	16.1
95.08595	28.7
97.02892	1.0
97.06511	2.6
97.10134	1.5
98.06065	0.9
99.08098	1.7
103.05458	15.2
103.06099	1.4
104.06241	2.2
105.03368	1.4
105.07014	100.0
106.06555	0.8
106.07347	3.0
107.04940	4.0
107.08578	22.2
108.05678	1.1
108.08917	0.8
109.06495	13.8
109.10141	38.3
110.06055	0.7
111.04451	0.9
111.08063	5.4
115.05436	19.7
117.06985	2.5
118.04132	9.2
119.04904	1.2
119.08561	33.9
121.06486	2.2
121.10119	14.4
122.07227	1.2
123.04443	1.1
123.08053	23.2
123.11679	6.0
125.09612	1.2
129.06982	2.8
131.04890	3.4
131.08537	2.2
132.05708	4.3
133.02855	5.5
133.06470	74.0
133.10103	23.2
133.11136	0.8
134.06799	3.3
134.10426	1.0
135.08026	2.0
135.11667	36.7
136.11996	1.7
137.05946	4.0
137.09593	16.2
137.10646	1.1
137.13161	1.0
138.10364	3.0
142.07790	1.3
143.04971	1.4
143.06018	5.2
145.10127	0.8
146.97447	0.8
147.04395	1.6
147.08035	2.8
147.11638	7.5
148.11119	0.9
149.02313	2.3
149.05910	1.8
149.09557	1.3
149.13232	8.4
150.01306	1.3
150.03043	1.0
150.06804	0.9
151.07527	0.9
151.11172	6.5
151.14778	4.3
157.10088	2.3
160.05162	1.2
161.05960	68.7
162.06300	3.2
165.05453	2.7
165.09073	1.0
165.12720	1.5
165.16393	1.6
166.08554	1.3
167.50589	0.7
175.03864	1.0
175.11224	3.8
175.14796	23.8
176.15117	0.8
178.01009	1.4
178.02559	4.1
178.06224	2.2
193.03215	1.5
193.04936	19.3
193.08560	32.5
193.09895	1.4
193.12221	7.5
193.15846	37.7
194.05281	0.9
194.07898	1.2
194.15379	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	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.06087	0.6
55.01870	3.6
55.05506	2.7
56.96554	0.7
57.03422	0.7
57.07086	0.7
65.03933	1.4
66.04720	0.8
67.05495	6.7
69.03430	1.1
69.07061	2.6
69.41604	3.4
69.42038	3.7
70.06594	0.7
71.04980	10.8
74.94798	0.6
77.03912	0.9
78.04711	0.7
78.54405	0.6
79.05482	23.5
81.03410	4.9
81.07045	8.2
82.39018	0.5
83.04969	1.5
83.08607	1.1
85.06588	0.6
87.08109	0.8
90.04718	0.8
91.05466	14.1
91.06032	0.9
93.07037	8.3
95.04950	7.0
95.08592	8.2
97.06548	0.7
98.21407	1.1
103.05463	10.1
104.06252	4.6
105.07014	100.0
106.07340	2.5
107.04926	2.0
107.08578	69.7
108.04461	0.6
108.08902	1.1
109.06504	5.2
109.10119	5.0
111.08070	0.7
115.05436	14.7
117.07040	0.9
118.04164	6.7
119.04905	1.1
119.06126	1.0
119.08563	12.5
121.06477	1.0
121.07619	1.1
121.10114	4.4
123.08041	3.8
123.11711	1.8
129.06970	1.3
131.04890	4.0
131.08557	1.6
132.05731	4.0
133.02846	2.5
133.06473	63.8
133.10104	13.9
134.06818	2.7
135.08046	1.0
135.11674	18.1
136.12051	0.7
137.05954	1.7
137.09584	5.6
143.04971	1.1
143.05969	3.7
146.97412	1.1
147.04396	1.3
147.08026	0.8
147.11664	4.3
149.02295	1.2
149.05945	2.2
149.09656	1.0
149.13219	0.8
151.11153	2.3
160.05212	1.8
160.60387	0.6
161.05962	51.7
162.06329	2.2
165.05443	1.0
165.09055	0.8
175.03937	0.9
175.11183	1.8
175.14801	17.4
175.26593	0.7
176.15141	0.7
178.02570	1.7
178.06184	2.3
193.04958	9.6
193.08566	60.9
193.12212	5.4
193.15852	12.9
194.08926	2.1
194.11752	1.2
194.15274	1.5
202.63373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.75129	0.5
53.03930	2.2
55.01863	4.8
55.05502	10.7
56.23002	0.5
56.96560	0.5
57.03425	1.9
57.07064	2.4
58.87951	0.5
59.04981	1.5
59.64306	0.4
62.32776	0.5
65.03935	1.9
66.04704	1.0
66.77722	0.4
67.05137	1.1
67.05492	17.8
69.03413	6.1
69.07052	8.2
71.04966	2.6
74.29631	0.5
77.03925	0.9
78.04690	0.6
79.05475	18.8
79.05930	1.1
80.04989	0.9
81.03400	29.2
81.07038	15.4
82.07394	0.4
83.04961	10.7
83.08596	7.3
85.06520	2.1
89.03919	0.6
90.04650	0.9
91.05461	16.4
93.07019	11.4
93.87962	0.5
94.04148	0.7
95.04948	16.2
95.08585	22.2
96.08893	0.6
97.02863	0.6
97.06519	2.1
97.10130	1.0
99.08054	1.2
103.05451	13.5
104.06267	3.0
105.03378	0.9
105.07008	100.0
106.07372	2.6
107.04929	4.1
107.08578	17.6
108.08907	0.6
109.06502	8.7
109.10133	28.9
111.04431	1.3
111.08074	4.4
115.05432	21.3
117.06979	1.7
118.04140	9.0
118.04969	0.8
119.04922	1.9
119.06050	0.5
119.08556	21.1
121.06496	1.0
121.07560	0.7
121.10113	11.9
122.07190	0.8
123.04422	1.2
123.08046	17.3
123.11685	4.6
129.06926	2.9
131.04915	3.6
131.08539	3.3
132.05673	2.1
133.02812	3.3
133.06465	79.8
133.10095	20.0
134.06842	2.8
135.08020	0.8
135.11667	23.7
137.05959	2.9
137.09579	11.6
138.10364	2.2
142.07716	1.0
143.04947	1.1
143.06006	5.2
145.10068	0.6
146.97441	1.0
147.04359	1.0
147.08002	1.9
147.11641	5.6
149.02289	1.1
149.05939	1.8
149.09561	1.4
149.13226	6.5
150.05562	0.6
150.06779	1.0
151.07564	1.0
151.11143	5.5
151.14827	3.4
157.10085	2.2
159.74127	0.6
160.05136	1.2
161.05949	72.8
162.06308	2.3
165.05408	1.1
165.09102	0.8
165.12738	1.0
165.16380	1.3
166.08568	1.3
169.99057	0.6
172.83511	0.5
175.03943	0.7
175.11169	3.5
175.14783	14.7
176.07037	0.6
178.02586	3.0
178.06212	1.8
193.04926	12.3
193.08556	37.2
193.12155	6.6
193.15848	27.2
194.05302	0.5
194.08916	0.9
194.15413	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	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.94279	1.4
53.03926	4.2
53.33722	1.6
55.01847	4.7
55.05500	29.0
57.03421	4.3
57.07070	8.9
59.04970	2.7
65.03960	1.6
67.05141	2.5
67.05494	34.8
69.03413	16.4
69.07053	24.8
69.18156	1.5
71.04981	5.0
71.08643	2.2
71.25254	3.9
79.05480	17.9
81.03396	6.1
81.07040	42.9
83.04962	36.0
83.08607	15.9
85.06528	8.1
91.05466	19.7
92.05831	1.6
93.07028	30.2
95.04966	8.7
95.08587	74.9
95.09202	3.6
97.06512	2.8
97.10140	4.4
99.08060	4.4
103.05428	12.5
104.06230	4.2
105.04494	1.6
105.07011	100.0
106.07355	2.0
107.04935	1.6
107.08577	56.2
108.08907	2.0
109.06492	28.9
109.10136	95.5
110.10437	2.4
111.08058	12.9
115.05435	15.2
117.06928	2.8
118.04143	9.7
119.08553	67.3
121.10121	39.3
122.07372	1.7
123.08048	56.8
123.11696	16.1
125.09598	3.0
131.04906	4.5
131.08516	3.7
132.05672	5.1
133.02817	6.5
133.06471	67.1
133.10109	59.6
133.10835	1.1
134.06801	1.9
134.10405	2.2
135.11667	90.5
136.12019	2.2
137.09590	42.2
138.10326	6.2
143.06013	3.7
145.10205	1.9
147.08002	2.7
147.11682	9.2
149.05930	2.5
149.13232	20.2
151.11128	14.4
151.14798	12.9
160.30750	1.8
161.05952	52.8
165.08977	1.9
165.12721	1.9
165.16394	5.0
175.11209	1.6
175.14793	57.2
178.02570	6.7
178.06152	2.5
178.81271	1.5
193.04971	19.8
193.06932	2.6
193.08559	47.3
193.12215	7.0
193.15848	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.88196	0.4
53.00290	0.4
53.03941	1.5
55.01854	3.4
55.05497	3.3
56.96529	0.6
57.03432	0.5
57.07059	0.9
58.15934	0.4
58.55844	0.4
59.04987	0.6
65.03931	1.8
67.05499	4.9
69.03397	0.5
69.07065	2.9
70.06567	0.7
71.04979	8.8
79.05481	24.4
81.03414	6.2
81.07048	8.4
83.04960	1.0
83.08602	1.2
85.06528	1.2
87.08127	0.5
89.45158	0.4
90.04701	0.5
91.05463	13.4
93.07029	8.7
95.04959	6.0
95.08588	7.7
97.06531	1.3
99.08067	0.9
103.05447	11.7
104.06253	5.2
105.03384	0.8
105.07011	100.0
106.07337	2.9
107.04927	1.8
107.08572	62.0
108.04511	0.5
108.08904	1.0
109.06498	3.9
109.10140	4.4
109.34509	0.4
111.04475	0.6
111.08070	1.0
115.05434	15.6
117.07001	1.1
118.04147	7.7
119.04979	0.7
119.08562	12.1
121.02833	0.6
121.06499	0.9
121.07572	0.5
121.10136	3.5
122.03632	0.6
123.08053	2.4
123.11699	1.3
129.07002	1.1
129.12143	0.5
131.04903	4.1
131.08569	1.4
132.05688	4.3
133.02837	2.6
133.06468	65.1
133.10109	12.7
134.06827	2.6
135.08107	0.5
135.11673	13.6
137.05952	2.0
137.09596	3.3
137.85454	0.5
142.07832	0.6
143.04962	0.9
143.06029	4.2
146.97440	1.0
147.04373	1.2
147.08052	1.1
147.11662	3.7
149.02356	1.4
149.05949	2.4
149.09570	0.6
151.11121	1.6
157.10100	0.7
157.71967	0.5
160.05180	1.8
161.05959	53.8
162.06302	2.1
165.05449	1.1
165.09122	0.9
175.07599	0.6
175.11176	1.7
175.14799	15.4
178.02563	2.0
178.06239	3.5
193.04936	9.5
193.08566	59.9
193.12186	4.3
193.15819	11.7
194.09111	2.6
194.11754	1.1
194.15356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02372	1.2
53.03920	1.2
54.43623	1.1
55.05501	10.7
56.96566	1.4
57.07069	2.3
58.98562	1.1
59.04971	1.7
65.03914	1.3
67.05490	9.1
69.07061	25.4
69.47353	2.6
69.47747	10.9
71.04977	17.9
79.05492	6.0
81.07043	20.9
83.08601	3.7
85.06538	11.2
90.27592	1.3
91.05457	8.1
93.07027	24.0
95.04951	35.0
95.08581	19.6
95.09125	2.0
97.06493	3.3
97.10147	8.9
99.08087	5.2
105.07027	10.7
107.08577	31.2
108.90861	1.1
109.06498	100.0
109.10143	14.1
110.06776	1.3
111.08047	4.8
111.11694	3.6
119.08559	27.1
121.10117	8.7
123.08028	6.0
123.11679	18.6
131.08475	1.2
133.10107	21.7
135.11664	28.5
137.03813	1.1
137.09593	13.8
147.11626	4.2
149.13222	7.1
151.11150	4.7
151.14861	1.7
175.14790	35.9
188.56041	1.1
193.04912	1.7
193.15862	47.3
193.45798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03927	3.3
54.81881	1.3
55.01854	3.2
55.05496	8.2
56.04988	1.4
56.96531	2.0
57.03422	1.9
57.07054	3.3
57.79469	1.2
59.04988	10.2
65.03931	1.6
65.72262	1.4
67.05495	8.7
69.03409	6.4
69.07050	6.5
69.48438	10.8
70.06564	2.5
70.87978	1.4
71.04983	2.1
77.03925	1.4
79.05476	15.8
80.05000	2.4
81.03398	3.4
81.06604	1.8
81.07045	24.1
83.04964	19.9
84.08098	2.1
85.06546	1.4
91.04920	2.3
91.05460	34.5
91.06027	1.7
93.07030	33.4
94.06539	1.4
95.04937	10.2
95.08584	7.4
97.06512	1.7
99.04396	2.3
103.05495	6.4
105.03367	2.6
105.04537	1.6
105.07011	100.0
107.04948	2.4
107.08577	34.2
109.06505	16.7
109.07603	1.7
109.10133	3.3
110.07031	1.4
111.08051	2.6
112.11241	1.5
115.05414	5.2
117.03361	1.6
117.06992	11.6
119.04917	4.9
119.08562	75.3
121.06511	6.5
121.07588	5.0
121.10111	5.6
122.03629	5.4
123.08060	7.0
123.11666	2.4
125.06005	1.4
125.69482	1.3
129.06975	5.5
130.07761	4.8
131.04922	1.5
131.08571	7.7
132.09325	2.6
133.02831	34.8
133.06477	21.3
133.10103	49.6
133.18182	1.3
134.06892	1.6
134.10875	2.3
135.08052	11.2
135.11665	38.3
137.05952	17.6
137.09589	3.5
137.13150	2.4
141.06944	2.3
142.07747	16.2
143.08508	1.9
143.66617	1.5
145.06467	3.5
145.10097	63.0
146.07172	2.2
146.97400	1.8
147.04370	3.1
147.08061	6.5
147.11656	60.5
149.05951	4.8
149.09569	1.6
150.03099	4.8
150.10313	1.4
151.07469	2.9
151.11137	8.3
157.10101	20.1
160.08813	9.6
161.05957	12.9
163.07542	1.7
163.11147	4.6
165.05460	7.2
165.09113	1.5
165.12726	3.9
175.03812	1.5
175.11162	39.7
176.11604	1.8
178.02582	24.4
193.04945	87.9
193.08528	4.8
193.12201	71.7
193.15878	3.9
194.05307	1.5
194.15382	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	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	4.6
55.01866	3.9
55.05502	9.9
56.69772	0.5
57.03436	2.8
57.07067	0.7
60.25458	0.5
65.03941	2.5
65.86385	0.5
66.17649	0.5
67.05495	26.5
67.44834	0.6
69.03427	3.7
69.07054	3.7
71.01339	0.9
71.04986	2.3
71.71668	0.7
75.22396	0.5
79.05021	1.2
79.05481	18.8
81.03404	100.0
81.07042	14.2
83.04964	6.1
83.08604	11.7
85.02883	0.5
85.06515	1.1
91.05463	24.1
93.00117	0.5
93.07031	10.9
95.01306	0.6
95.04955	41.6
95.08603	4.5
97.02879	2.5
97.06512	1.9
97.10141	1.1
103.05451	2.3
105.07013	23.5
107.04934	9.3
107.08583	4.9
109.06513	5.4
109.10130	1.8
111.04413	2.8
111.08051	2.9
115.05437	3.7
117.06985	2.0
118.04108	0.6
119.04923	1.4
119.08561	12.9
121.06487	1.9
121.10129	3.5
123.04408	2.2
123.08069	1.7
123.11695	1.0
125.11080	0.6
128.06171	1.0
129.06984	8.3
130.05492	0.5
131.04951	0.6
131.08548	7.3
132.05714	0.9
133.02835	2.1
133.06471	10.5
133.10103	8.2
135.08029	1.6
137.05951	2.1
137.09604	1.8
142.07782	2.8
143.06041	0.6
145.10109	0.8
146.97403	0.8
147.08034	4.6
147.11658	6.6
149.02299	0.9
149.09598	5.7
151.07535	0.7
151.11113	1.4
155.08383	0.6
157.10110	6.4
160.08855	0.6
161.05957	6.1
165.05431	1.2
165.12740	1.3
175.11179	7.3
175.14781	1.6
176.03380	0.5
178.02576	2.1
178.07797	0.6
193.04948	10.5
193.06778	0.8
193.08424	4.5
193.10277	1.1
193.12204	17.9
193.13994	1.2
193.15877	2.2
193.17566	0.6
194.08168	0.9
194.15411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03932	2.1
55.01860	5.0
55.05500	1.2
57.03419	0.8
57.07064	0.5
64.53940	0.5
65.03931	0.9
66.04721	0.9
67.05482	3.6
67.57504	0.5
69.03423	1.1
69.07059	0.8
70.05762	1.2
70.06177	1.6
70.06596	1.0
71.04990	0.6
77.03898	0.5
79.05478	16.9
81.03403	7.7
81.07036	2.9
83.04954	0.7
83.08601	1.2
90.04665	1.5
91.05460	11.6
93.07007	2.9
95.04953	5.3
95.08578	1.3
97.06583	0.6
98.21494	0.5
103.05449	16.9
104.06224	1.8
105.03371	1.0
105.07011	100.0
106.02903	1.7
106.07353	2.0
107.04931	2.5
107.08569	2.8
109.02851	0.7
109.06488	2.0
109.10120	1.1
115.04626	1.1
115.05439	20.3
116.05761	0.6
117.07001	0.6
118.04137	13.3
119.04920	1.6
119.08580	3.7
121.06480	1.2
121.10125	1.0
121.38227	0.5
122.07196	0.7
123.04427	0.9
123.08002	0.8
124.05151	0.6
129.06950	1.4
131.04913	4.7
131.08525	1.2
132.05684	2.5
133.02818	1.8
133.06467	86.0
133.10072	3.8
134.06816	1.4
135.04359	0.8
135.08040	1.7
135.11662	1.6
137.05977	2.7
137.09576	1.1
143.04890	1.4
143.06023	5.1
146.97404	0.7
147.04396	1.4
147.08025	1.6
147.11673	2.7
149.02298	0.7
149.05934	2.2
149.09576	1.5
150.03090	0.6
150.06691	1.8
151.07457	0.6
151.11148	0.7
157.10133	1.1
160.05183	0.8
161.05951	78.8
162.06299	2.0
165.05498	1.2
165.09079	2.2
175.03906	0.8
175.11163	2.1
175.14760	1.1
178.00800	0.8
178.02542	1.3
178.06206	2.1
193.03172	1.4
193.04909	7.0
193.08554	36.1
193.12138	4.2
193.15826	1.4
194.08873	0.7
194.15356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02369	0.3
53.03936	1.3
55.01867	2.2
55.05496	1.3
56.96568	0.3
57.03426	0.5
57.07058	0.7
65.03922	1.3
67.05491	3.2
69.03409	1.1
69.07042	0.6
70.06587	0.4
71.04972	0.7
77.03929	0.7
79.05479	6.3
81.03403	10.0
81.07040	2.3
83.01353	0.3
83.04964	1.0
83.08618	1.4
83.54806	0.2
89.03893	1.2
90.04694	0.4
91.05463	4.9
91.36874	0.2
93.07035	1.8
94.04156	0.9
94.74506	0.3
95.04951	4.7
95.08590	1.0
97.06501	0.6
98.21453	0.7
100.15634	0.3
103.05453	5.1
104.06260	0.7
105.03383	1.7
105.07011	30.9
106.07362	0.5
107.04927	1.7
107.08572	0.9
109.06526	1.7
109.10142	0.8
111.04409	0.3
111.08072	0.6
115.05439	5.6
117.03351	0.7
117.06997	0.4
118.04144	3.3
119.01929	0.8
119.04959	0.7
119.08547	2.5
121.02834	0.5
121.06506	0.8
121.10122	0.8
122.03633	5.3
123.04398	0.5
123.08039	0.4
123.11720	0.3
129.06979	1.1
131.04898	1.6
131.08560	1.2
132.05695	0.8
133.02831	41.3
133.06465	26.7
133.10095	2.6
134.03224	0.8
134.06984	0.4
135.08087	0.6
135.11656	0.4
137.05948	11.9
137.09581	0.7
142.07742	0.4
143.01851	0.4
143.04982	0.5
143.06021	1.5
147.04391	1.1
147.07996	0.9
147.11671	1.8
149.02313	2.1
149.05957	3.5
149.09599	0.4
150.03087	4.1
150.06810	0.3
151.07469	0.4
151.11172	0.6
157.10123	0.8
160.05121	0.6
161.05949	23.4
162.06294	0.6
165.05460	4.9
165.09116	0.5
165.12624	0.3
175.07556	0.6
175.11073	1.3
175.14940	0.6
178.02579	25.2
179.02940	0.4
193.04936	100.0
193.08546	13.5
193.12074	2.5
193.15854	1.3
194.05266	2.6
201.06079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0492
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03929	1.1
54.15670	0.4
55.01860	1.1
55.05495	1.7
56.96539	1.4
57.03419	0.4
57.07057	1.2
59.04989	3.2
65.03934	0.9
67.05486	2.0
68.05041	0.5
68.99780	0.4
69.03405	1.7
69.07061	2.0
70.06567	0.9
71.04971	0.6
71.43877	0.4
71.69148	0.7
77.03898	0.7
78.04726	0.4
79.05470	4.1
81.03399	1.3
81.07033	5.3
83.04967	3.3
84.08113	0.6
85.06513	0.5
89.03907	0.9
91.05458	7.0
93.07034	5.5
94.04144	0.7
95.04948	2.3
95.08575	2.2
97.06520	0.8
97.07635	0.6
99.04450	0.6
99.08090	0.5
103.05441	2.2
105.03366	2.4
105.07012	23.0
106.06593	0.6
107.04919	1.1
107.06051	0.5
107.08575	8.8
108.04452	0.4
109.06500	3.4
109.07619	1.3
109.10120	1.3
109.16846	0.4
111.09161	0.7
111.52479	0.4
112.11232	0.5
115.05450	2.2
117.03374	0.3
117.07010	2.4
118.04118	0.9
118.41175	0.5
119.04911	1.7
119.05759	0.4
119.08562	13.5
121.02802	0.4
121.06510	1.1
121.07600	2.4
121.10133	1.3
122.03629	6.2
123.04417	0.9
123.08055	1.9
123.11692	0.7
129.06981	1.0
130.07738	1.1
131.04906	0.5
131.08537	1.0
133.02827	41.6
133.06471	8.0
133.07442	0.3
133.09171	0.7
133.10117	10.6
134.03191	0.5
134.07123	0.6
134.10835	0.8
135.04373	0.6
135.08049	2.4
135.09006	0.5
135.11668	6.6
137.04926	0.8
137.05959	12.4
137.09567	1.1
141.06969	0.4
142.07707	2.6
145.06433	0.6
145.10086	10.8
146.97411	0.6
147.04362	1.6
147.08040	1.9
147.09052	0.4
147.11670	10.9
149.02290	0.7
149.05942	3.3
149.09575	0.9
150.03096	4.1
150.10257	0.8
151.07469	0.7
151.11128	1.3
152.06985	0.5
157.10103	3.5
160.05135	0.4
160.08794	1.5
161.05954	6.4
163.11192	1.0
165.05452	4.8
165.09029	0.7
165.12738	0.8
166.09734	0.4
175.03879	0.6
175.11147	6.9
175.14819	0.6
176.11877	0.6
178.02580	24.6
178.84656	0.4
179.02992	0.7
193.04935	100.0
193.09805	1.5
193.12196	14.2
193.15770	1.9
194.05276	2.5
194.08066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02366	0.3
53.03938	0.6
55.01860	0.8
55.05494	1.0
56.96555	0.3
57.03428	0.3
57.07072	0.3
59.04988	1.5
59.55853	0.2
65.03938	0.6
67.05494	1.5
69.03416	1.2
69.07052	0.9
70.06583	1.2
70.30028	1.2
77.03919	0.5
79.05479	3.6
81.03414	1.0
81.07045	2.6
83.04964	1.5
83.08600	0.3
85.02911	0.3
87.05554	0.4
89.03900	1.1
91.05471	4.4
93.07033	2.8
94.04169	1.2
95.04963	2.2
95.06094	0.4
95.08588	1.1
97.06516	0.4
97.07648	0.3
103.05463	3.1
105.03387	1.6
105.07014	21.6
106.07310	0.3
107.04945	0.7
107.06820	0.3
107.08578	3.0
109.06500	1.7
109.07607	0.4
109.10136	0.5
110.08419	0.3
111.08064	0.3
112.48374	0.2
115.05447	4.0
117.03387	0.8
117.07010	1.1
118.04146	2.2
119.04926	1.1
119.08561	6.0
121.06492	0.7
121.07607	0.3
121.10153	0.9
122.03626	6.6
123.08032	0.8
123.11715	0.5
129.06996	0.3
130.07748	0.5
131.04906	0.7
131.08531	0.5
132.05626	0.3
133.02831	42.3
133.06470	13.3
133.07484	0.6
133.10101	4.4
134.03217	1.0
134.07025	0.3
135.04356	0.4
135.08080	1.3
135.09021	0.3
135.11679	3.4
136.07623	0.3
137.05952	13.9
137.09608	0.5
142.07745	1.0
143.04895	0.5
143.06013	1.0
145.10106	4.8
146.97481	0.3
147.04404	0.7
147.08025	0.9
147.11659	4.6
148.08679	0.6
149.02316	0.4
149.05971	4.0
150.03098	4.8
151.03783	0.3
151.07545	0.4
151.11156	0.9
157.10034	1.3
160.08804	0.9
161.02344	0.7
161.05959	13.7
163.03773	0.3
165.05452	5.0
165.09103	0.3
165.12737	0.6
175.03951	0.7
175.07535	0.5
175.11131	3.3
175.14748	0.5
176.11839	0.4
178.02582	27.3
179.03018	0.4
193.04938	100.0
193.12183	6.1
193.15916	1.0
194.05318	2.1
194.08092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02372	0.4
53.03925	0.4
55.02959	0.3
55.05496	0.4
66.04707	0.4
67.05490	1.0
69.07064	0.4
71.71676	0.3
71.92535	0.3
77.03925	0.4
79.05467	1.5
81.03398	0.7
81.07035	1.5
83.04939	0.2
89.03893	0.9
91.05472	2.1
93.07020	1.1
94.04169	1.0
95.04942	0.9
95.08586	0.8
97.06470	0.2
105.03388	1.4
105.07009	1.8
107.04961	0.4
107.08527	0.4
109.06483	0.7
109.10103	0.5
115.05415	0.3
117.03365	0.6
119.08558	1.6
122.03636	5.1
123.93268	0.2
131.08513	0.4
133.02829	44.6
133.10109	1.3
134.03111	0.7
137.05957	11.4
147.11652	1.1
147.27161	0.2
149.05969	3.1
150.03110	4.6
151.11160	0.3
157.10030	0.3
161.02348	0.7
161.05922	0.6
165.05440	4.4
175.11116	0.6
175.14752	0.8
178.02585	25.3
179.02950	0.5
193.04938	100.0
193.12155	0.9
193.15848	0.9
194.05246	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03927	3.2
55.01855	3.6
55.05488	6.9
56.96540	3.3
57.03424	4.0
57.07059	4.1
58.86845	1.6
67.05197	2.0
67.05500	29.8
69.03414	7.5
69.07055	9.6
69.78085	2.0
70.53461	3.7
70.53815	4.8
71.04984	34.0
78.80013	1.7
79.05483	23.5
81.07048	20.9
83.04961	5.5
83.08596	2.5
85.06545	13.5
91.05466	35.6
93.07040	32.3
95.04949	13.2
95.08598	19.8
97.06522	12.6
102.04678	3.4
103.05457	46.5
105.03387	3.1
105.07016	53.4
107.04941	8.9
107.08578	76.6
109.06509	20.1
109.10144	61.5
111.08041	3.3
115.05438	7.8
116.06226	2.6
117.06989	11.2
117.68262	1.9
118.04146	14.3
119.04922	4.6
119.08582	20.4
121.06489	15.0
121.10130	74.2
123.07229	3.4
123.08047	30.7
128.86467	1.7
129.06973	5.4
130.04115	8.1
130.07747	2.1
131.04916	34.1
131.08549	50.2
132.05713	3.7
133.02840	6.8
133.06444	5.5
133.10103	46.9
135.07034	3.5
135.08035	49.7
135.11641	12.4
141.38206	1.7
143.08524	6.4
145.06451	6.0
145.10098	30.5
146.03601	3.2
147.04405	4.4
147.08043	3.8
147.11658	21.4
148.05162	19.7
149.05937	3.7
149.09599	12.2
149.13254	15.6
150.10309	2.0
158.10925	9.6
160.05066	2.4
161.09532	3.4
163.07526	35.9
163.11127	4.4
163.14825	2.0
173.05919	6.1
173.09618	5.6
173.13245	47.3
176.04655	9.6
191.03337	4.8
191.06976	32.7
191.10672	15.0
191.14291	100.0
191.17860	8.8
192.10133	2.4
213.88643	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	1.7
54.14327	1.4
55.01856	2.4
55.05502	11.9
57.07063	2.8
59.04969	1.5
67.05493	9.2
67.72684	1.3
69.03416	26.6
69.07043	15.2
69.92432	8.2
71.04965	4.5
73.61740	1.2
79.05468	12.3
79.29793	1.3
80.05002	1.3
81.07028	9.5
83.04953	10.1
83.08607	16.8
83.31693	1.3
85.06515	1.8
89.26724	1.6
91.04912	2.1
91.05457	22.1
93.07027	24.8
95.04955	9.0
95.08587	15.6
97.06488	6.1
98.21555	1.3
102.04655	3.4
103.04845	1.8
103.05455	26.3
104.59177	1.3
105.03336	1.6
105.06332	2.1
105.07011	28.5
107.04923	4.8
107.08569	53.2
109.06492	6.9
109.10130	6.9
111.08038	2.2
115.05426	3.9
116.06213	2.1
117.07006	8.1
118.04139	9.0
119.04916	2.0
119.06098	1.8
119.08544	18.9
120.05728	2.1
121.06489	15.8
121.10123	48.1
123.08047	7.6
129.06982	6.3
130.04158	6.6
130.07771	2.8
131.04915	20.5
131.08542	35.2
133.02829	3.7
133.06448	3.4
133.07452	1.6
133.10107	23.8
135.08037	23.5
135.11664	11.7
137.09578	2.2
143.08537	11.9
144.09299	3.8
145.06442	4.1
145.10091	23.0
146.03577	2.3
147.04317	3.0
147.08017	4.1
147.11661	13.5
148.05153	11.0
148.08768	2.3
149.05821	1.6
149.09592	11.6
149.13211	13.3
158.10873	18.0
160.05069	1.9
162.10324	1.5
163.07495	17.9
163.11148	4.3
163.14790	16.4
173.05927	3.0
173.09589	2.6
173.13235	63.6
174.13548	1.9
176.04695	8.3
191.03352	2.6
191.06906	18.5
191.08257	2.6
191.10638	4.3
191.14267	100.0
191.17868	2.5
192.14584	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.90413	0.8
53.03930	1.6
55.01861	1.7
55.05503	8.1
57.03424	2.6
57.07059	4.0
57.56949	0.8
65.03921	1.7
65.58008	0.9
67.05492	8.4
69.03418	20.1
69.07050	13.3
70.04404	5.6
71.04983	7.4
79.05488	12.9
81.07056	6.3
83.04579	0.8
83.04981	9.2
83.08610	13.7
85.06522	2.6
86.56716	0.9
86.57305	0.8
91.05463	17.4
93.07033	16.7
95.04945	3.7
95.08580	8.7
97.06509	4.0
103.05453	1.5
105.06329	1.7
105.07011	24.4
107.03277	0.9
107.04941	6.3
107.08575	74.6
108.08858	1.2
109.06516	8.0
109.10161	5.5
111.08064	1.6
115.05431	2.8
117.06989	5.9
119.06027	1.2
119.08561	18.5
121.06491	10.5
121.10120	37.1
122.10437	1.2
123.08047	5.7
125.70181	0.9
129.06981	3.0
130.07750	1.5
131.08539	25.3
133.06522	1.5
133.10101	19.4
135.08034	30.1
135.11688	5.1
137.09595	1.4
143.08533	8.2
143.77240	1.0
144.09329	2.7
145.10107	13.7
147.08035	2.3
147.11665	21.4
148.08723	1.2
149.09583	10.2
149.13232	20.7
158.10890	15.2
160.05020	2.6
161.09613	1.9
163.14783	10.9
173.13234	42.7
174.13640	1.4
191.14281	100.0
192.14619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.8
55.01860	1.6
55.05488	5.5
57.03422	1.1
57.07064	1.9
59.04972	1.3
65.03922	2.4
67.05493	33.4
69.03401	3.7
69.07050	9.0
69.61543	7.5
71.04980	44.0
79.05475	16.4
81.03391	1.0
81.06606	1.1
81.07045	15.4
83.04958	4.1
83.08585	3.3
85.06530	18.2
86.21887	0.8
91.05463	28.1
93.07029	23.1
95.04942	15.5
95.08585	16.6
97.06509	14.7
103.05440	10.0
105.03378	1.5
105.07008	58.1
106.07832	1.2
107.04922	2.9
107.08572	84.1
108.08874	1.0
109.06503	21.7
109.10136	80.7
110.10444	1.8
111.08076	5.8
115.05434	3.2
116.06200	1.9
116.68501	0.8
117.06998	7.1
118.04123	3.6
119.04912	1.3
119.08557	18.7
121.06492	12.3
121.10123	86.0
122.10452	1.2
123.08044	30.9
123.11642	0.9
128.06139	0.9
129.06935	3.4
129.07846	0.8
130.07751	1.6
131.04898	6.8
131.08543	54.2
132.08862	2.1
133.02876	1.0
133.06416	2.1
133.07521	0.8
133.10104	38.8
135.08025	46.9
135.11601	4.2
143.08490	5.7
144.09305	2.7
145.06419	1.7
145.10107	17.7
147.08009	2.9
147.11665	26.6
148.05130	4.3
148.08792	2.5
149.01167	1.1
149.09599	9.4
149.13214	17.5
158.10889	10.2
160.05029	1.0
161.09599	2.6
163.07503	6.5
163.11151	3.3
163.14792	1.9
173.05998	2.2
173.09676	2.0
173.13240	53.1
174.13548	2.5
176.04660	1.8
191.03331	1.1
191.06969	6.9
191.10645	3.6
191.14273	100.0
192.14580	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33223	1.1
53.03930	6.2
53.12859	1.2
55.01854	3.6
55.05499	19.1
56.96557	1.9
57.03396	1.2
57.07052	4.8
59.04995	1.4
65.03902	4.3
67.05137	2.6
67.05488	40.5
68.31795	1.1
69.03414	31.2
69.07053	16.6
70.71159	4.6
71.04963	3.2
77.03896	2.3
79.05477	83.2
81.03397	3.0
81.07041	72.6
83.04971	17.2
83.08172	1.2
83.08578	7.6
85.06506	3.6
86.25992	1.2
90.94834	1.8
91.05457	41.4
93.07025	62.8
95.04950	15.9
95.07999	2.1
95.08589	31.0
97.06498	5.1
97.10133	3.3
102.04661	4.1
103.05449	38.4
105.03368	4.2
105.07011	40.6
107.04939	39.1
107.06068	1.7
107.08571	100.0
109.06528	9.5
109.10131	37.9
110.07261	2.7
110.10419	1.4
111.08054	2.4
115.05425	7.4
116.06226	1.8
117.06990	8.2
118.04161	11.7
118.06554	2.2
119.04936	3.1
119.06036	1.6
119.08568	15.7
120.08038	1.9
121.06485	15.4
121.10116	79.7
122.07237	3.5
122.10416	1.6
123.08039	4.9
123.11675	3.7
129.06943	4.2
130.04121	6.3
131.04900	27.6
131.08539	28.9
132.05594	2.8
133.02838	5.9
133.06470	3.8
133.07489	1.9
133.10104	69.7
134.10474	2.4
135.08029	24.3
135.11653	32.2
135.55649	1.3
136.08771	1.9
137.09575	17.8
143.08553	8.9
145.06461	5.2
145.10091	18.5
146.03598	2.3
146.05988	3.0
147.04372	4.2
147.08005	1.9
147.11630	9.1
148.05159	16.9
148.07552	1.9
148.08704	1.5
149.05931	3.0
149.08527	1.4
149.09615	9.6
149.13219	20.2
155.25455	1.4
158.10884	10.1
159.04387	1.7
159.08067	3.0
160.05074	5.3
161.05890	2.1
161.09637	2.5
163.07515	23.7
163.11130	4.5
163.14758	3.7
173.05951	5.5
173.09595	5.5
173.13226	28.7
176.04710	9.1
191.03372	6.3
191.06952	27.1
191.10612	17.8
191.14281	80.3
191.17909	21.4
192.06473	4.0
192.10141	2.2
192.17453	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	8.8
55.01854	2.0
55.05493	8.9
57.03424	9.8
57.07055	4.4
57.60101	1.3
58.31441	1.4
67.05492	13.4
69.03409	15.1
69.07053	13.2
69.57901	11.2
71.04984	17.2
79.05476	20.8
81.07036	12.1
83.04945	6.4
83.08598	8.3
85.06528	3.2
91.05461	30.0
91.34880	1.4
93.07023	26.3
95.04955	7.6
95.08600	16.4
97.06507	11.3
102.04660	1.7
103.05456	20.7
105.07010	57.4
107.04944	8.7
107.08577	50.9
107.09205	0.9
107.09329	1.8
109.06500	7.9
109.10110	9.4
115.05426	5.7
117.06999	12.0
118.04105	6.3
119.04870	2.6
119.08558	40.6
120.08060	7.3
121.06490	16.8
121.10117	41.4
123.08034	5.9
123.11731	2.1
129.06961	5.1
130.04118	4.2
130.07690	2.2
131.04903	17.4
131.08548	48.7
132.05637	3.3
133.02866	3.5
133.06514	2.5
133.10110	56.8
135.08038	26.1
135.11659	10.5
143.08540	15.3
144.09311	4.7
145.06424	3.6
145.10095	27.0
146.06027	1.8
147.04381	2.1
147.08028	3.7
147.11664	42.2
148.05167	11.7
148.08714	3.1
149.01088	1.9
149.05992	3.6
149.09576	33.2
149.13206	15.4
158.10912	20.9
159.08072	1.9
160.05080	5.2
161.09712	1.6
163.03850	1.9
163.07545	15.3
163.11148	4.7
163.14793	13.1
173.05968	3.0
173.09618	2.6
173.13232	77.2
176.04657	8.2
176.11919	2.5
191.03371	3.1
191.06947	20.1
191.08543	2.8
191.10553	10.5
191.14273	100.0
192.14604	2.8
192.17374	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	191.07
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02352	1.0
53.03920	2.6
65.03915	0.9
65.40218	0.8
66.04702	2.4
67.05480	1.5
68.99766	1.0
69.03423	2.1
70.66533	1.8
70.66933	2.3
70.87358	0.9
71.05000	1.2
77.03928	0.9
77.65262	0.9
79.05490	5.8
80.37812	0.9
81.07026	0.9
89.03937	1.0
90.04684	3.2
91.05465	10.0
92.06242	1.5
93.07030	1.6
95.04967	4.6
95.08576	1.9
102.04661	6.6
103.05452	100.0
105.03384	10.4
105.04486	1.2
105.07023	11.2
106.74660	0.8
107.04946	6.5
107.08575	2.3
115.05441	5.8
115.18385	0.9
117.03324	1.6
117.06989	3.6
118.04141	29.3
118.04975	1.6
119.04941	9.1
120.05708	5.4
121.10135	2.5
130.04126	7.7
131.04907	63.3
131.08542	1.6
132.05721	6.7
132.47360	0.9
133.02827	22.7
133.06444	6.6
133.10095	2.1
135.08032	7.3
145.06471	3.2
145.10060	1.0
146.03577	8.7
147.04356	2.7
147.11650	1.3
147.29802	1.1
148.05167	57.2
149.05826	1.7
149.09601	1.8
158.10846	1.0
161.05931	1.6
163.07518	79.7
163.14830	1.0
164.04712	1.2
164.07898	1.3
173.05943	6.1
173.13196	2.3
176.04663	9.7
191.07002	52.7
191.10626	2.0
191.14351	6.3
192.07228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
50.39957	2.3
51.02365	2.0
53.03941	3.5
53.44595	1.8
55.01842	4.8
55.05489	4.1
56.04993	2.3
56.96555	24.8
57.03414	7.5
57.07048	3.2
58.06557	2.9
61.02908	4.8
65.03925	2.7
66.04682	6.4
67.05481	4.8
69.03428	12.3
69.07030	6.1
69.80177	12.2
70.06574	2.3
71.01312	2.5
71.04950	2.9
72.08142	2.5
72.10835	1.8
72.93766	5.0
73.02883	7.9
74.06048	3.8
79.05482	11.9
81.03387	3.3
81.07043	4.2
83.04936	3.1
83.08602	2.8
84.08105	3.7
85.02893	10.9
87.04471	1.9
89.03873	3.1
90.04644	5.6
90.94793	3.5
91.05482	16.4
93.07008	5.6
95.01296	2.5
95.04930	8.6
95.08577	5.5
97.02842	7.9
98.21452	2.9
98.97581	12.0
102.04007	2.9
102.04666	41.6
103.03939	3.2
103.05455	81.1
105.03348	5.0
105.06993	16.3
107.04914	12.2
107.08583	14.1
109.02886	3.0
109.06466	2.4
109.07633	3.4
109.10117	6.7
110.01160	2.4
110.07157	2.8
110.97543	4.3
115.05392	9.6
116.98613	9.9
117.01971	2.7
117.06995	16.2
118.04140	85.1
118.06491	2.2
119.00165	3.1
119.01763	9.5
119.04899	7.9
119.08540	6.8
120.05652	4.9
120.08069	10.0
121.02828	5.2
121.06441	4.2
121.10107	11.4
123.08044	2.6
127.03842	3.0
128.02290	3.5
128.06244	2.3
128.98566	8.0
130.04126	80.3
131.00105	3.2
131.04915	75.5
131.08601	11.7
132.05269	2.3
132.95825	2.7
133.02773	12.3
133.06454	3.8
133.07460	2.8
133.10141	10.7
134.99611	9.7
135.04350	4.3
135.08029	14.0
135.08890	2.5
135.11624	4.6
137.05923	8.3
145.06441	10.8
145.10126	10.0
146.02518	2.2
146.03607	16.0
146.06027	3.4
146.99643	10.4
147.04378	23.9
147.07939	3.0
148.05167	24.5
148.08691	3.4
149.01199	15.1
149.09567	5.0
149.96115	2.5
150.00725	2.4
150.10194	3.0
150.96884	15.4
158.03552	7.0
158.10928	3.4
158.99568	3.2
160.05054	3.5
161.01186	3.0
163.03848	4.8
163.06015	3.7
163.07492	9.2
163.11134	5.2
165.00740	3.9
167.02196	6.7
167.05489	8.6
167.97137	4.3
173.05959	19.9
173.09581	5.2
173.13219	9.0
174.05463	3.7
176.04666	97.9
177.00624	5.7
177.05005	3.5
185.27179	2.3
189.00653	6.1
190.98785	2.1
191.03442	20.8
191.05478	6.7
191.06972	100.0
191.10509	9.8
191.12822	3.9
191.14307	30.3
192.07304	1.9
201.00687	4.0
209.00098	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	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.23257	0.2
66.65123	0.2
70.42831	0.2
89.03881	1.0
116.04957	3.5
134.05997	0.3
144.04407	0.4
144.07994	0.2
145.05153	0.2
158.51881	0.2
162.05475	100.0
163.05817	2.3
164.05916	0.2
190.04962	30.8
191.05307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1257
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99063	0.6
51.32249	0.5
53.03910	0.5
57.07065	23.7
59.99096	4.0
62.99076	0.5
65.03938	0.8
67.05482	0.8
69.03386	0.5
70.16856	2.3
78.00139	40.4
79.05473	1.0
81.07030	0.7
84.08111	0.8
86.09171	0.7
86.09696	10.9
88.02151	0.5
91.05450	2.2
92.01698	1.1
93.07008	1.3
95.04943	1.3
95.08579	0.8
96.04435	0.5
98.20705	0.5
102.04684	0.6
102.05479	0.5
103.05437	3.0
105.07001	2.1
107.04916	1.4
107.08570	1.9
109.06484	0.7
109.10123	1.3
113.94930	0.5
115.05415	0.6
116.05275	0.9
117.06989	0.9
118.04129	1.1
119.08532	1.1
120.08068	0.7
120.08887	0.6
121.02843	0.9
121.10093	1.5
130.04167	0.6
131.04933	2.3
131.08545	1.3
133.10085	1.1
134.06328	42.2
135.06659	0.5
135.08005	1.5
145.06454	0.6
145.10068	1.3
146.05974	0.6
147.04379	1.7
147.06714	0.9
147.07883	0.5
147.11684	1.0
148.05127	1.5
148.07834	3.5
149.02356	2.3
149.05933	0.6
149.08311	0.5
149.09560	1.1
162.05464	1.6
162.09056	0.7
163.07501	2.2
172.06938	0.5
173.05928	0.7
173.09586	0.7
173.13290	0.6
176.04686	1.0
190.04863	1.7
190.06181	1.8
190.08852	3.5
190.12569	100.0
191.03383	0.7
191.07045	3.0
191.08595	0.5
191.10677	1.6
191.12839	2.3
191.14264	2.3
192.96036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01865	7.5
55.05495	3.0
56.05550	1.0
58.20552	0.8
61.29900	0.8
62.07441	0.8
65.03917	1.1
66.79169	0.8
67.05143	1.0
67.05492	17.1
68.05807	0.9
69.03402	1.8
69.07059	6.1
69.54960	8.4
79.05481	16.8
79.64664	0.8
81.07047	12.2
83.04946	3.2
83.08647	1.1
85.06532	1.0
91.05462	64.2
92.05801	1.2
93.07028	13.0
95.04955	5.5
95.08589	5.5
97.06493	3.5
102.79838	0.9
103.05436	2.5
104.72011	0.9
105.03381	1.2
105.07013	42.3
107.04934	3.4
107.08572	5.9
109.06487	3.3
109.10101	1.4
111.04382	0.9
115.05431	4.9
117.06993	15.0
119.08559	22.8
119.66496	1.0
121.06477	4.1
121.10100	1.7
123.08034	1.0
125.05976	0.9
128.06190	10.6
129.06981	33.9
130.07758	2.5
131.08559	5.3
133.05557	1.1
133.06494	4.4
133.10112	18.1
135.08014	2.4
141.06912	1.6
142.05037	0.8
142.07767	1.5
143.08543	22.4
145.06450	1.8
145.10100	30.6
146.07207	1.4
147.08018	9.5
147.11653	12.5
149.02258	1.3
156.09334	5.4
159.07997	1.9
159.11644	2.0
161.05899	1.2
161.09578	5.2
161.13255	15.1
169.10043	0.9
171.11659	51.7
172.12076	1.3
174.10370	2.1
189.04195	1.7
189.09111	3.5
189.12704	100.0
189.16310	3.2
190.04820	1.3
190.08644	2.0
190.12987	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89385	1.0
54.18768	1.0
55.01847	1.2
55.05484	1.5
57.01554	0.9
57.03424	1.2
65.66764	1.2
65.92999	0.9
69.03417	5.9
69.07046	1.0
69.72331	1.0
70.67702	2.2
70.68101	3.0
71.04966	1.1
71.57192	0.9
72.08109	1.3
79.05488	2.1
86.00629	2.1
86.09673	1.1
91.05467	6.2
93.07037	2.1
98.31090	0.9
103.05436	1.3
105.07021	13.0
107.08563	2.2
115.05431	3.2
117.06986	6.5
119.04892	1.7
119.08559	23.5
121.06499	1.3
121.10131	1.5
128.06169	5.4
129.06998	7.4
130.07771	6.9
131.04932	1.5
131.08548	7.0
133.05493	1.1
133.06444	3.1
133.10121	7.0
135.08038	1.0
141.06963	13.8
141.14143	1.0
142.07654	1.1
143.08546	9.4
144.09323	4.3
145.06491	2.9
145.10086	23.6
146.10719	1.5
147.08034	8.0
147.11658	14.5
148.97249	1.1
155.08504	4.0
156.09320	78.8
157.06503	2.3
157.09644	2.0
159.08029	7.2
159.11667	18.7
160.08818	1.3
161.09569	1.9
161.13237	2.4
162.05347	1.1
162.92924	1.1
171.11662	88.0
172.12035	3.4
174.06734	3.2
174.10381	11.1
189.04478	3.5
189.09093	5.5
189.12711	100.0
190.13005	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48668	0.6
53.03935	1.3
53.90278	0.6
55.01866	7.7
55.05498	3.7
57.03441	0.8
65.03937	1.3
67.05497	16.0
69.07063	6.5
70.73317	2.0
71.48859	0.6
77.03912	0.6
79.05483	18.8
81.07047	12.6
83.04965	1.9
83.08597	1.4
85.06524	1.7
91.05468	100.0
92.05794	1.3
92.25301	0.6
93.07033	9.9
95.04971	3.8
95.08589	4.6
97.06528	5.0
103.05455	2.7
105.07016	36.2
106.07351	1.2
107.04944	6.3
107.08578	4.8
109.06525	2.1
111.08083	0.9
115.05454	2.7
117.06189	0.7
117.07007	13.0
119.04936	0.9
119.08562	20.4
121.06488	4.7
121.10156	1.2
123.08069	1.3
128.06198	5.8
129.06989	39.4
130.07733	2.9
131.08563	5.0
132.21231	0.6
133.06505	2.9
133.09171	1.2
133.10115	16.5
135.08037	0.8
140.30724	0.6
141.07036	1.3
142.07759	1.0
143.08545	19.6
144.09059	0.8
145.06494	1.0
145.10100	27.2
147.08038	10.5
147.11671	12.2
156.09326	3.8
159.11699	1.7
161.09630	3.2
161.13251	14.6
169.10147	1.4
171.11671	55.5
172.12030	2.2
189.12718	98.4
189.16338	2.5
190.12988	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	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52799	1.0
54.94384	1.0
55.01860	1.2
55.05494	2.8
56.96560	1.4
58.06569	1.0
59.04979	1.3
64.93880	1.0
67.05476	2.0
69.03416	6.4
69.07043	4.1
69.47765	3.8
69.48186	5.5
70.50125	1.0
79.05466	3.6
81.07030	3.7
83.04952	2.5
86.09660	1.9
91.05465	10.3
93.07030	3.1
95.04957	1.2
95.08575	2.1
97.06446	1.1
98.20648	1.9
103.05392	1.1
103.27493	1.0
105.07017	29.8
107.08560	3.6
109.06487	2.8
115.05418	2.7
117.06232	1.1
117.06976	5.4
119.04895	3.9
119.07737	2.1
119.08564	34.1
121.06477	1.8
121.10117	2.4
128.06169	7.3
129.06972	8.1
130.07718	3.5
131.08542	9.4
133.06447	5.7
133.10112	14.8
135.08067	1.7
141.06973	8.4
141.61798	0.9
142.07765	1.9
143.08533	11.7
144.09308	2.2
145.06444	2.9
145.10106	18.8
146.07188	1.4
146.10852	3.4
147.08058	11.1
147.11659	16.2
155.08511	2.5
156.09323	59.5
157.06436	2.6
157.09679	1.9
159.08015	10.1
159.11678	11.9
160.08789	4.3
161.05946	1.4
161.09578	5.1
161.13229	12.0
171.11665	66.1
172.11986	2.6
174.06720	5.3
174.10379	17.7
189.04370	2.6
189.09129	10.6
189.12714	100.0
189.16287	8.8
190.13039	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	188.0915
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
55.05501	0.7
56.05034	2.0
57.03427	1.5
59.05000	2.8
60.04514	1.8
61.02916	8.2
67.05503	0.4
68.05045	0.4
69.03397	1.0
69.48542	1.4
69.48972	1.7
70.02948	3.2
71.04993	1.7
72.04488	0.4
72.08148	0.5
75.04467	0.6
81.16866	0.3
82.06571	3.5
83.04969	3.9
84.04491	100.0
85.02891	19.5
85.04830	1.2
86.06062	0.9
87.04456	5.8
96.04521	0.5
98.06032	0.6
98.93228	0.3
100.07610	2.1
102.05491	0.6
110.06023	3.2
111.04419	1.7
112.03936	0.4
115.05444	0.4
116.05750	2.4
126.05508	5.0
128.07040	5.2
129.05464	0.9
131.04924	1.0
131.08594	0.4
132.05240	3.2
144.05264	1.5
146.05962	0.4
146.08060	0.6
156.09332	0.6
158.32784	0.3
170.08092	0.6
188.04227	10.0
188.07616	0.7
188.09167	8.1
189.09351	0.4
189.12726	0.6
200.82985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03932	0.3
55.01867	1.8
55.05491	1.3
56.05016	0.8
56.53611	0.3
56.96556	16.0
57.03434	1.7
58.06578	0.4
58.96140	0.7
59.04983	0.6
59.06122	0.4
60.04515	0.5
60.95845	0.5
61.02905	1.1
63.12807	0.3
67.05493	0.6
68.05047	0.3
68.99800	0.7
69.03414	1.9
69.07054	1.2
69.78663	2.1
70.06578	2.1
70.98105	0.9
71.01319	1.0
71.04989	0.4
71.95238	0.5
72.07759	0.6
72.08141	7.7
73.02901	1.5
74.06059	0.4
74.07185	0.3
74.97599	1.3
75.04408	0.3
79.05472	0.7
81.03399	0.8
81.07033	0.5
83.04968	0.6
83.06102	0.7
84.04474	0.8
84.08124	2.3
84.96033	0.8
85.02897	1.4
85.04826	0.7
86.00628	0.5
86.06053	0.7
86.09691	100.0
87.04472	0.7
87.10033	1.2
88.99164	0.8
91.00488	0.8
91.05468	1.4
93.07034	0.5
95.04984	0.5
97.02879	1.4
98.01330	0.5
98.97562	4.9
100.07610	0.4
100.99139	0.3
101.02361	1.3
102.05535	0.6
103.02433	1.5
105.07011	1.8
106.01008	0.4
107.00179	0.6
107.08557	0.5
110.01243	0.5
110.97551	0.5
111.00809	0.9
112.01038	1.3
112.03918	0.4
113.02449	0.5
113.98677	0.4
114.05428	0.4
115.03921	1.0
115.05435	0.8
116.00194	0.4
116.98596	6.0
117.07000	0.6
118.08668	0.3
119.00153	0.7
119.01875	2.9
119.08585	1.3
120.00749	0.6
120.08115	0.4
121.01541	2.6
121.03493	1.0
127.01470	0.6
128.02321	0.6
128.06221	0.9
128.07068	0.4
128.98579	0.9
129.01837	1.2
129.07109	0.3
129.10161	0.4
130.04971	0.5
130.08633	1.2
131.04944	0.3
131.08594	0.5
131.99678	0.7
133.06499	0.4
133.10123	1.0
134.03058	0.5
134.99638	6.8
135.00597	0.6
137.03008	0.5
139.00273	0.7
139.51505	0.7
140.00066	0.4
143.08577	1.2
144.06474	0.5
144.98074	0.5
145.03439	0.7
145.10120	0.5
146.06020	0.4
146.07175	0.4
146.99614	1.7
147.01405	1.1
147.03052	0.5
147.07979	0.7
147.11655	0.7
147.99107	0.5
149.01212	1.0
149.09497	0.6
150.00719	1.0
153.00722	1.2
156.03310	0.4
156.09354	0.8
157.01361	1.7
158.01196	0.4
158.99626	0.6
161.01204	1.2
161.02977	0.6
161.04776	0.6
161.05919	0.6
161.09695	0.4
162.05446	1.8
162.99142	0.6
163.02756	0.5
163.04495	0.5
164.02348	0.5
165.00731	1.3
165.02472	0.6
166.00220	1.6
168.05391	0.8
169.04405	0.4
171.08211	0.4
171.11687	0.9
172.13304	0.7
173.02948	0.3
174.04347	0.4
174.99077	0.4
175.02475	0.4
177.00737	0.9
177.04199	0.4
183.01709	0.4
184.01216	0.7
184.51254	0.9
185.02943	1.0
186.04335	0.5
189.00656	0.5
189.02245	0.5
189.04105	0.6
189.05540	0.9
189.09140	1.0
189.12552	2.1
189.16220	0.4
190.04977	1.0
190.08653	0.5
200.27856	0.4
204.05446	0.5
205.00182	0.4
207.01761	0.8
207.03563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05507	0.7
56.05025	2.8
56.96552	0.3
57.03422	1.4
59.04989	2.6
60.04502	1.5
61.02613	0.5
61.02916	8.9
67.05477	0.3
68.05011	0.6
69.03417	1.2
70.02944	2.9
70.06553	0.4
70.95607	0.3
70.95948	0.7
71.04973	1.6
72.04514	0.5
72.08135	0.5
73.02902	0.3
75.04478	0.9
76.84408	0.3
82.06578	3.3
83.04959	4.8
84.04491	100.0
84.30210	0.3
85.02891	20.1
85.04832	1.0
86.06057	1.0
87.04454	6.7
91.05461	0.6
95.04939	0.3
96.04446	0.3
98.06041	0.5
100.07603	2.0
102.05513	0.3
103.05445	1.2
105.06992	0.4
110.06018	3.5
111.04424	1.7
112.61411	0.3
115.05436	0.6
116.05774	2.6
118.06555	1.7
119.08521	0.4
120.08082	3.4
125.56451	0.2
126.05494	4.8
128.06161	0.5
128.07063	5.1
129.05475	0.9
131.04912	1.0
132.05244	3.5
144.05241	1.8
144.06245	0.3
146.06078	0.5
146.08101	0.9
147.06642	0.3
160.07579	0.3
160.09749	0.3
161.13116	0.4
170.08104	1.1
171.11681	0.6
174.10567	0.4
188.04233	9.6
188.07520	0.5
188.09155	8.0
188.10889	0.4
189.09198	0.4
189.12752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05497	1.0
55.87077	0.2
56.05031	2.2
57.03415	1.2
59.04992	2.4
60.04511	1.2
61.02919	9.2
67.04245	0.4
67.05479	0.4
68.05022	0.6
69.03416	1.4
70.02945	2.9
71.01350	0.3
71.04987	1.8
71.70005	0.4
72.04506	0.4
72.08148	0.7
73.02918	0.3
73.80694	0.3
74.06064	0.4
75.04472	0.8
82.06560	3.3
83.04970	4.9
84.04491	100.0
85.02891	20.5
85.04829	1.2
86.06039	0.8
86.09684	0.3
87.04456	5.4
91.05476	0.5
96.04488	0.5
98.06055	0.9
100.07620	2.3
102.05569	0.3
105.07020	0.9
107.82563	0.2
110.04749	0.3
110.06014	3.0
111.04421	1.6
112.03986	0.3
115.05460	0.8
116.05766	1.8
118.74158	0.3
119.08582	0.7
126.05495	4.5
128.06195	0.5
128.07053	6.1
129.05455	1.3
129.06990	0.7
131.04883	0.7
131.08566	0.4
132.05229	2.9
133.10144	0.5
140.12106	0.3
144.05295	1.1
145.10059	0.4
146.08133	0.7
146.10443	0.5
147.11679	0.5
156.09309	0.5
157.06451	0.6
160.09717	0.4
161.05943	0.6
161.09656	0.4
170.08145	0.9
173.08401	0.3
174.06744	0.5
174.10371	0.3
175.03899	0.3
188.04233	7.4
188.07802	0.7
188.09207	7.6
188.10854	0.7
188.15234	0.4
189.05551	0.3
189.09142	1.2
189.12660	1.3
189.16440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
60.04528	0.4
71.31882	0.7
84.04490	4.5
85.02918	0.6
86.06047	0.5
86.32077	0.4
87.04488	0.6
91.05465	4.4
103.05428	0.4
107.37824	0.5
115.05441	6.6
116.05785	1.9
117.05780	2.0
117.06996	4.9
118.06527	74.6
119.06871	1.7
128.04999	0.4
128.07088	0.7
131.04909	0.5
132.05247	3.0
132.08118	0.4
142.06493	5.6
143.07292	11.4
144.04396	1.1
144.08070	24.8
145.06500	1.3
145.08405	0.6
146.05991	100.0
147.06326	2.9
155.06044	0.6
160.07535	1.2
170.05978	9.4
185.21222	0.5
188.04286	9.1
188.07027	18.4
204.46341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.02348	0.7
53.03931	1.2
55.01874	1.1
55.05495	1.9
57.07058	5.2
58.22921	0.6
63.46730	0.6
63.55290	0.5
67.05492	9.1
69.03407	0.9
69.07057	2.5
69.18777	0.5
69.62860	0.5
77.20206	0.6
79.05477	7.2
81.03413	1.7
81.07041	6.5
83.08595	1.2
84.04465	0.9
85.02880	1.0
88.02192	1.5
91.05458	20.8
93.07030	4.8
95.04946	4.6
95.08591	2.7
98.21465	2.4
103.05445	2.5
105.07007	27.4
106.07330	0.8
107.04917	4.1
107.08565	3.6
109.10120	1.1
115.05430	24.7
116.06193	1.8
117.06161	1.3
117.06988	23.3
119.04848	0.7
119.08554	20.7
121.10107	1.6
121.82685	0.6
128.06207	4.2
129.06978	13.3
130.07768	9.4
131.04903	30.0
131.08537	51.2
132.05243	0.8
132.08899	1.5
133.06490	0.9
133.10124	3.2
141.06926	4.9
142.07782	6.7
143.04887	11.5
143.08536	12.4
144.05269	0.7
144.09312	10.3
145.06468	7.1
145.10091	100.0
146.07204	1.0
146.10410	3.0
153.06908	1.3
154.07771	4.4
155.08363	0.6
157.10095	10.9
158.07246	2.0
158.10876	3.9
159.04381	1.7
159.08073	5.3
159.11659	38.1
169.10107	7.6
172.08788	2.6
172.12416	4.6
176.26889	0.7
184.65054	0.7
187.03867	67.0
187.11169	27.3
187.14778	71.8
188.04170	2.9
188.11487	1.5
188.15099	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	186.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.07246	0.2
55.01864	0.5
55.05495	0.4
55.13645	0.1
56.05023	0.3
56.96554	100.0
57.03422	0.3
57.07058	0.2
58.06590	0.3
60.95832	0.1
61.02923	0.3
67.05486	0.2
67.64464	0.1
68.99786	0.2
69.03416	0.7
70.06577	0.6
70.98106	7.2
71.01340	0.3
71.04973	0.5
71.95259	1.2
72.08128	0.5
74.06084	0.1
74.97594	6.2
79.05521	0.2
81.03404	0.7
81.07030	0.2
82.06567	0.2
83.08628	0.2
84.04496	0.8
84.08118	1.4
84.96017	4.6
85.02892	0.6
86.06034	0.2
86.09676	0.4
86.97575	0.8
87.04433	0.2
88.02184	0.5
88.99146	5.6
91.05436	0.2
92.98615	1.0
95.04936	0.2
97.02878	0.4
97.99158	0.9
98.97560	2.4
99.00790	0.1
99.04456	0.2
100.07604	0.2
100.99126	1.7
101.00854	0.2
102.02312	0.2
102.97052	0.7
103.05470	0.3
104.98652	0.2
105.03378	0.2
107.00173	2.9
107.00835	0.2
109.02889	0.2
109.06528	0.2
110.52528	0.3
110.97544	1.4
111.00297	0.2
112.01036	0.2
112.95461	0.3
113.05977	0.2
114.25882	0.2
115.05434	6.9
116.00218	0.3
116.98608	2.1
117.07003	0.2
119.00162	1.9
119.00972	0.2
119.01135	0.2
119.01898	1.6
120.00780	0.1
120.98106	0.4
121.01638	1.0
122.01983	0.2
125.01205	0.5
126.97015	0.5
127.01530	0.2
127.03921	0.3
127.04872	0.2
127.08631	0.2
127.12309	0.4
127.98873	0.6
128.02304	0.3
128.07092	0.3
128.98593	3.9
129.10236	0.2
130.01773	0.2
130.08656	0.2
130.96516	1.0
131.04907	9.9
132.05226	0.2
133.01709	0.9
133.03430	0.6
134.99628	1.9
135.05089	0.2
137.01285	0.2
137.02914	0.5
139.02650	0.2
140.03183	0.2
141.06966	0.2
142.08604	0.7
143.00107	0.2
143.03700	0.3
143.04892	4.0
144.98055	7.4
145.03485	0.2
145.10147	0.3
146.91837	0.2
146.99623	5.1
147.01352	0.2
148.97554	3.8
148.99425	0.6
150.99086	0.2
151.02763	0.3
151.04497	0.3
153.00734	0.4
155.04634	0.3
158.99599	0.3
159.04333	0.8
159.11600	0.3
160.50194	0.2
161.01244	0.9
162.04330	0.2
162.99118	17.6
163.02751	0.5
165.00674	2.2
166.98621	2.3
169.09737	0.2
170.01164	0.4
170.11768	1.1
171.99165	0.2
173.00804	1.0
177.00659	0.4
179.02240	0.4
180.60391	0.2
181.00163	8.9
183.01793	0.2
186.00748	0.9
187.03870	20.8
187.11028	0.8
187.14394	0.6
188.04227	0.7
190.98679	0.2
199.01195	1.1
204.01833	0.5
205.00179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02203	0.3
52.20041	0.4
56.96555	3.6
57.03444	0.6
58.92155	0.4
61.02919	0.5
62.10317	0.4
70.92242	0.9
71.26622	0.4
75.13681	0.4
80.94947	1.0
82.99819	1.1
83.29727	0.5
85.02873	0.8
89.01507	0.4
98.97586	2.0
100.02448	1.0
100.08888	0.4
101.00857	17.4
101.95037	0.6
102.00943	0.9
102.02191	0.7
115.02423	0.8
116.98601	1.6
117.03991	0.4
118.03513	0.6
119.01896	100.0
120.01969	3.9
121.01622	0.6
121.97562	1.0
122.07136	0.5
124.02428	1.0
124.93900	0.5
131.01872	0.8
133.01596	1.7
133.03450	0.8
134.99625	0.5
136.04533	0.5
137.02931	37.4
138.02992	2.0
142.03476	23.4
143.01865	1.5
143.03624	2.5
144.04962	1.1
146.99586	0.9
156.03241	0.6
160.04533	7.7
160.96045	0.6
161.02933	10.9
161.04633	2.2
162.03011	0.6
162.04288	0.4
165.05080	0.8
165.96605	0.8
166.08609	0.5
166.98083	0.4
170.01157	0.7
175.04581	0.4
179.02347	0.8
179.03979	12.4
179.05490	0.7
182.56180	0.4
183.97592	0.5
184.04568	3.2
184.06076	0.7
184.09596	0.9
202.05595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1534
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.00302	2.3
53.03938	2.8
55.01855	4.5
55.05501	22.7
56.96557	2.6
57.03420	13.0
57.07059	9.0
59.04993	3.7
65.03922	3.4
67.05495	32.9
69.03398	4.7
69.07059	36.2
70.06585	4.3
70.94877	5.0
70.95251	4.7
71.04981	82.7
71.08610	2.5
72.08133	2.7
73.06526	10.5
74.72344	2.0
79.05482	24.9
81.07042	88.7
83.04949	5.0
83.08601	22.2
84.04478	5.4
85.02903	9.6
85.06521	14.0
86.06038	2.9
86.09695	25.9
87.04461	2.8
91.05463	13.4
93.06433	3.3
93.07029	66.3
95.04932	5.9
95.08592	100.0
97.06524	10.5
97.10142	3.6
98.06047	5.2
99.08080	54.6
102.96851	2.9
105.07017	6.4
107.08572	71.9
109.06396	2.9
109.10144	37.3
110.03647	4.0
111.04452	3.5
111.08051	9.9
112.07568	3.8
114.05504	15.5
121.00838	2.9
121.10121	41.7
123.08069	3.7
123.11684	32.0
123.53275	2.5
125.05957	13.4
125.07082	2.9
125.09615	6.1
126.05493	9.5
127.03909	2.7
128.06195	3.3
129.06976	7.0
137.13228	7.3
138.98975	2.4
139.03885	6.1
139.07555	3.5
139.11177	5.4
140.07054	6.2
142.07779	8.8
143.08519	7.0
149.13239	81.5
153.05492	11.1
154.06201	5.6
155.14319	4.3
156.09299	2.5
157.10066	5.9
157.13322	2.8
158.08174	2.9
163.01807	3.7
167.07011	4.0
167.14293	30.4
181.02827	15.6
185.04405	5.0
185.05983	4.5
185.08044	6.2
185.13319	8.1
185.15332	63.6
186.05402	2.3
186.07617	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	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20453	0.2
69.74240	1.6
69.74665	0.5
82.99812	0.7
84.04503	0.3
98.20720	0.6
100.02442	0.4
101.00861	15.2
102.00938	0.7
102.32201	0.3
118.03500	0.4
119.01900	100.0
120.02000	4.9
121.01615	0.4
121.02386	0.3
124.02440	1.1
137.02939	37.2
138.03038	1.3
139.03464	0.3
142.03479	23.1
143.01894	0.5
143.03648	1.8
158.06639	0.3
160.04541	8.2
161.02946	8.1
161.04633	2.7
162.04254	0.3
165.05101	0.7
178.05562	0.5
179.03995	12.6
179.05664	0.9
180.04175	0.4
184.04541	0.5
184.06152	0.3
202.05565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97261	0.5
53.03942	0.7
55.01860	2.7
55.05492	1.8
56.05030	1.7
56.96557	42.5
57.03422	7.5
59.06109	0.9
60.04498	0.8
61.02916	5.2
65.03921	1.7
65.92612	2.2
67.05476	1.7
68.04997	2.0
69.03423	7.8
69.07044	1.0
69.84086	3.2
70.03748	0.7
70.06584	5.4
70.98111	2.7
71.01338	1.5
71.04976	1.5
71.95270	0.9
72.04496	0.7
72.08145	1.0
73.02902	10.0
74.00223	0.6
74.03262	0.9
74.97596	2.7
75.01006	0.7
77.00766	1.2
80.00230	0.8
80.04993	1.3
80.94952	3.4
81.01050	0.8
81.03407	3.3
81.07034	0.8
81.99995	0.9
82.06564	2.1
82.99895	0.5
83.00768	4.3
83.04960	0.8
83.06078	1.5
84.04494	2.0
84.08112	1.5
84.96014	2.6
85.02892	10.1
86.03698	1.0
86.06048	1.7
86.09686	2.1
87.04446	1.4
88.99141	1.7
89.00765	2.0
90.01542	2.1
90.94797	0.7
91.00498	3.0
92.01273	4.5
92.05000	1.4
93.07002	0.6
94.06551	1.8
95.00723	0.8
95.04969	0.9
95.06053	0.9
96.01514	2.0
96.04475	3.1
96.05295	1.1
96.08103	1.0
97.02872	6.4
97.07653	1.5
97.96802	0.8
98.01273	5.2
98.06042	1.2
98.21312	1.4
98.95979	0.8
98.97568	18.7
98.98283	0.9
98.98499	0.9
99.04437	1.5
100.01026	1.8
100.03915	0.8
100.99120	1.9
101.00850	10.2
101.95025	6.6
102.96873	1.1
103.00507	2.2
104.04935	0.7
105.02029	0.9
105.03372	0.9
106.03705	1.1
107.00201	0.7
107.01802	4.7
107.04938	0.8
107.51958	0.8
109.00478	1.2
109.02860	1.2
109.07602	1.3
110.01260	6.6
110.06034	3.5
110.07137	0.8
110.09686	1.2
110.51453	0.7
110.97558	3.2
111.04462	0.7
112.00997	8.2
112.07558	1.8
112.99091	0.7
114.05499	1.4
115.00552	1.1
115.97811	0.6
116.98610	16.2
116.99390	1.3
117.02003	0.7
118.01004	5.2
118.03511	1.0
119.00121	2.1
119.01887	100.0
119.51939	1.1
119.96038	3.2
120.01997	5.7
120.04437	1.9
120.08087	1.2
120.97925	1.0
121.01536	7.5
121.97557	5.0
122.05985	0.7
123.04405	1.7
123.51753	1.0
124.00977	5.0
124.02428	1.0
124.03940	1.0
124.04759	0.9
124.07555	2.8
124.08617	1.2
124.93861	2.1
124.99984	0.9
125.07111	1.1
126.05463	0.9
127.01514	2.2
127.03912	1.9
128.02301	23.3
128.07088	0.6
128.52507	0.7
128.98581	6.7
129.51793	0.6
130.52545	2.4
131.00122	0.7
131.01837	1.7
132.52293	1.0
133.01524	8.5
133.03471	1.3
134.01208	0.6
134.99626	10.9
135.51788	0.7
136.01015	1.1
136.01990	1.1
137.02919	55.0
137.53316	1.2
137.97067	4.4
138.03055	2.1
138.05479	7.2
138.09126	3.8
138.52277	0.9
138.98933	1.2
139.00597	1.0
139.01520	5.9
139.03931	1.1
139.08591	0.8
139.51700	0.7
139.53081	2.3
140.00166	0.8
140.03369	0.9
140.07101	1.3
142.02141	1.3
142.03470	21.4
142.08604	1.0
142.94930	1.9
143.00165	2.9
143.01924	1.0
143.03639	1.4
144.04927	1.4
144.52357	0.8
144.98073	4.9
145.01523	4.3
145.03438	0.6
146.99640	6.6
147.04430	0.9
148.02013	3.0
148.03905	58.3
148.07520	1.2
148.97639	0.7
149.01064	0.7
149.02980	0.8
149.04144	1.4
152.07036	1.2
153.00705	1.0
154.02017	4.8
155.98149	2.4
156.52301	0.9
158.01259	1.4
158.06705	0.8
158.99651	2.8
159.52785	0.7
160.03152	1.0
160.04535	9.3
160.96016	2.4
160.98724	1.0
161.01207	6.4
161.02933	8.0
161.04247	1.5
161.04889	1.6
162.03101	1.2
162.99107	8.7
163.02623	3.1
165.00642	1.7
165.05081	1.4
165.96518	2.3
166.04971	75.2
166.08534	3.8
167.05388	1.3
167.08144	0.9
170.99664	1.6
173.01260	1.0
174.53297	0.6
177.00638	3.1
179.02272	2.0
179.03996	10.7
179.05501	1.5
181.00168	3.2
183.97641	3.3
184.02946	1.3
184.04521	2.2
184.06041	9.1
184.07568	1.4
184.09604	13.2
186.99196	1.0
189.00679	2.1
191.02332	0.7
199.01178	0.9
200.02425	0.7
201.00768	1.6
202.05609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03936	1.1
55.01857	1.8
55.05270	0.8
55.05503	9.5
57.03429	1.3
57.07064	3.5
58.02955	37.8
58.29167	0.7
59.04952	0.5
67.05498	23.5
69.03407	0.9
69.07060	69.8
70.06592	3.9
70.07388	1.0
72.08150	0.6
74.06066	1.1
79.05476	7.5
81.07044	23.7
82.06575	0.8
83.04955	2.2
83.08608	8.3
84.08137	10.7
86.06045	1.1
90.32185	0.5
91.05468	6.4
93.07027	11.7
94.06532	0.7
95.04952	4.2
95.08585	7.6
97.06516	4.6
98.06024	2.4
98.09665	3.5
98.98460	1.6
100.07609	7.2
101.80538	0.6
103.05302	0.6
105.03381	1.8
105.07014	14.2
107.08582	17.6
108.08864	0.6
109.06490	2.8
109.10144	50.3
110.09732	0.7
110.10445	1.4
112.07610	2.9
114.09148	15.9
119.08561	2.1
121.10127	3.1
123.11709	7.7
123.47340	0.6
124.11169	1.0
126.09146	12.5
126.12776	1.6
128.10712	1.2
131.08658	0.7
133.10117	32.5
134.10446	0.9
134.99622	0.7
135.11673	20.8
136.07587	0.7
136.12021	0.7
137.13190	0.7
138.12762	24.9
140.10669	1.3
140.14313	1.0
141.06934	0.7
147.11690	6.0
151.11165	9.8
152.11555	0.9
153.12730	13.9
154.15900	1.7
155.08572	0.7
164.14305	2.8
165.12741	3.2
182.00978	1.0
182.08115	1.6
182.15388	100.0
183.11632	1.2
183.15764	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	183.1377
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03946	10.2
55.01863	5.4
55.05502	16.5
56.05019	2.9
56.96545	2.9
57.03415	4.6
57.07064	22.7
59.04989	16.7
59.06107	4.9
64.42858	1.4
65.03922	4.3
67.05497	21.5
69.03414	5.3
69.07057	60.1
70.06568	4.1
70.96319	1.9
71.01344	45.4
71.04980	55.1
71.08622	5.0
71.69928	2.0
71.70349	1.7
75.90046	1.5
77.03952	2.0
79.05480	16.2
80.01524	1.4
81.03387	6.7
81.04507	1.9
81.07045	47.5
83.04984	1.6
83.06124	2.0
83.08612	25.7
84.83286	1.6
85.02888	4.0
85.06535	10.2
86.06071	2.8
91.05480	10.1
93.07026	7.2
95.04955	50.0
95.08590	35.4
96.04475	1.7
97.02878	3.3
97.06517	100.0
97.10139	2.9
98.06059	1.9
98.98457	37.2
99.04441	84.7
99.05486	3.6
99.08102	3.8
99.44756	1.6
101.06003	13.5
101.94997	8.5
105.03381	54.5
105.04490	4.3
105.07024	8.9
107.04939	3.0
107.07905	3.1
107.08582	36.2
109.02873	1.8
109.06489	14.6
109.10120	8.0
110.07167	1.7
111.08052	2.1
111.09199	1.9
111.11710	20.1
113.05966	2.7
113.09607	6.3
115.05406	3.6
117.06922	1.7
119.01907	3.3
119.08543	4.8
119.96040	3.3
121.06469	1.7
121.10124	16.8
123.04420	37.2
123.08050	10.0
123.11686	52.9
124.07565	1.9
124.08704	3.8
125.06009	2.0
125.07094	3.9
125.09632	9.7
127.01522	6.0
127.07577	1.9
137.05956	4.7
137.09587	5.0
137.13257	18.0
137.97070	4.2
138.09091	2.6
139.11157	4.5
140.04678	15.5
140.08078	1.7
141.05382	1.9
141.06911	5.1
141.12717	7.1
142.03464	2.9
142.07813	2.3
144.83130	1.7
147.11671	7.5
149.21736	1.6
153.06961	9.9
155.04692	1.7
155.07018	8.3
155.08530	14.9
155.98146	2.1
156.13838	3.0
160.04504	2.2
165.05481	4.4
165.07060	2.4
165.09068	2.7
165.12732	12.7
167.08586	2.4
168.09308	17.2
180.64914	1.6
183.06442	7.1
183.08057	10.3
183.09915	2.4
183.11652	22.7
183.13791	32.0
184.07640	2.0
184.09686	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	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03930	0.8
53.28817	0.2
55.01863	0.5
55.05487	0.7
56.05016	0.6
56.96299	0.4
56.96556	4.8
57.03425	0.7
58.06580	0.3
59.06112	0.8
59.23644	0.2
61.02906	0.3
61.41716	0.2
63.92927	0.9
65.03923	0.8
67.05487	1.5
68.05022	1.0
69.03409	1.0
69.07048	0.4
70.06574	0.8
71.04977	0.4
71.68983	0.4
72.04490	0.4
72.08160	0.4
73.02903	1.0
74.02424	1.3
78.95264	1.6
79.05476	1.0
80.04997	1.1
80.05820	0.3
81.03406	0.9
81.04502	0.4
81.07064	1.2
82.06548	0.7
83.04951	0.6
83.06084	0.8
83.08620	0.4
84.04487	0.4
84.08130	0.6
84.96043	0.5
85.02886	1.1
86.06048	0.4
86.08465	0.3
91.05463	34.9
92.05824	0.6
93.05819	0.3
93.07035	0.8
94.06552	1.5
94.07328	0.3
95.04953	6.7
95.06072	0.8
95.08610	0.4
96.04495	0.5
96.08112	0.3
97.02875	0.9
97.07636	0.6
98.06023	0.8
98.97575	2.4
98.98429	1.8
99.04435	0.4
99.05566	0.4
99.97886	0.3
101.00830	0.4
102.05531	0.3
103.05460	1.2
105.03394	3.2
107.04897	1.3
108.04469	0.4
108.08106	1.3
109.02844	0.4
109.06538	2.6
109.07621	0.9
110.06040	0.6
111.04447	0.4
111.05543	0.6
111.09178	0.4
112.03964	0.5
112.07612	0.4
113.02403	0.3
113.07118	0.3
116.98619	2.6
117.98898	0.7
118.03523	0.3
118.06519	2.6
119.01905	2.0
119.04923	34.4
119.97874	1.7
120.05269	1.1
120.08083	0.7
121.06483	0.8
121.07587	0.3
122.06004	1.0
122.07069	0.8
122.94187	0.8
123.04412	14.5
123.05396	0.7
123.09140	0.3
124.03963	0.4
124.04831	0.3
124.07640	0.6
124.08678	0.7
125.07110	0.7
127.01569	0.3
128.98592	0.5
131.01903	0.7
134.01244	0.4
134.99660	3.0
135.99985	0.6
136.07552	100.0
137.02963	0.6
137.05917	0.9
137.07030	0.6
137.07941	2.4
138.05489	0.3
138.09096	0.3
139.03931	0.3
140.04631	0.5
140.07103	0.3
140.08160	0.9
140.95256	0.7
141.01878	0.6
141.06618	0.3
142.03500	1.5
143.01869	0.4
146.05986	0.4
146.99603	0.7
147.04376	7.7
149.02950	0.3
150.05466	1.3
152.07053	0.4
153.05475	0.4
153.06903	0.5
154.01115	0.3
154.04916	0.3
154.08617	1.0
155.01898	0.3
155.08409	0.5
157.97969	0.4
158.01212	0.4
158.02956	0.3
158.96260	1.9
158.99632	0.6
160.04514	1.5
161.01257	0.5
161.02907	0.5
163.96790	1.3
164.06989	2.0
164.08083	0.5
164.10570	0.3
165.05446	6.7
165.06766	0.4
166.09795	0.4
166.98604	0.5
168.09322	0.5
173.02924	0.5
176.03932	0.4
177.00691	1.9
178.05563	0.6
181.97839	1.7
182.00945	1.0
182.03061	0.3
182.04541	1.1
182.08029	5.5
182.11523	0.5
183.06424	0.3
183.08072	0.3
183.10023	0.3
183.11552	0.6
185.02966	0.5
189.00716	0.4
203.03937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.49722	0.8
53.03938	1.5
55.01872	1.1
55.05492	1.9
56.96541	0.9
57.06802	1.5
57.07064	22.2
59.04984	2.9
60.64443	0.8
65.24393	0.7
67.05473	2.6
69.03411	2.0
69.07069	4.8
70.06544	2.5
70.06958	2.1
79.05477	10.7
81.03412	7.4
81.07052	4.5
83.04966	48.7
83.08573	0.7
84.05306	0.8
85.06516	1.0
91.05443	4.6
93.07029	9.3
95.04958	16.2
95.08598	1.2
97.06520	27.0
98.06905	0.8
98.97557	3.0
100.20863	0.8
105.07012	5.5
107.04935	2.7
107.08574	12.9
109.06516	0.9
109.10153	0.8
116.98599	2.6
117.07011	1.9
119.08559	3.9
121.06471	2.4
121.10132	14.0
123.08076	0.9
125.05972	65.7
126.06277	1.7
129.06847	0.9
130.07768	2.0
134.99617	4.3
135.04414	1.1
135.07993	1.2
135.11649	7.1
136.07555	1.2
136.90956	0.8
145.10100	10.6
153.00682	1.3
158.01212	1.3
162.09012	0.8
163.03922	1.6
163.11157	100.0
164.11493	3.2
165.06947	1.4
166.07732	2.3
167.35262	0.8
181.04938	2.5
181.06454	1.8
181.10089	4.8
181.12207	32.4
182.05794	3.0
182.08060	1.0
182.12544	1.2
199.02228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01863	1.7
55.05509	3.2
55.82353	0.8
57.03437	1.1
57.07066	23.1
59.04992	2.1
60.22029	0.7
60.45466	0.7
67.05502	2.5
69.03426	1.9
69.07053	3.9
71.16478	1.8
79.05483	9.1
81.03408	7.6
81.07053	6.0
82.98948	0.7
83.04967	46.2
83.08612	1.0
85.06545	1.1
91.05472	4.6
93.07026	9.2
95.04956	17.2
95.08595	1.8
97.06519	25.6
98.06837	0.8
98.97581	2.8
105.06998	6.2
107.04944	2.6
107.08572	12.4
109.06517	1.0
111.04426	0.9
111.08076	1.1
116.98608	3.2
117.07005	3.0
119.08565	3.2
121.06473	3.6
121.10130	12.2
123.08052	1.2
125.05971	66.5
130.07721	1.7
134.99622	5.2
135.04433	1.5
135.08051	1.8
135.11681	7.3
139.03902	0.9
143.08514	1.0
145.10107	12.2
153.00667	1.1
153.06975	0.8
158.01218	1.7
163.03923	2.1
163.11157	100.0
164.11513	3.2
166.07729	2.0
166.98727	0.8
175.19102	0.7
181.04915	3.5
181.06323	1.0
181.10109	1.9
181.12204	31.5
182.05791	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03930	9.2
55.01857	6.7
55.05500	29.9
56.96542	14.2
57.03430	19.4
57.07052	5.7
59.04985	3.1
65.03925	3.7
66.77151	2.5
67.05494	96.8
69.03416	6.5
69.07054	31.8
71.01347	26.0
71.04974	6.6
71.18947	6.7
71.95251	3.9
73.90782	2.5
79.05483	100.0
80.05823	4.2
81.03404	52.9
81.06611	4.5
81.07047	65.3
83.04965	57.9
83.08599	10.8
85.02883	5.1
85.06525	6.2
91.05470	54.6
93.07034	98.8
94.07343	4.5
95.04939	24.0
95.08591	27.5
97.06520	26.5
97.10113	2.7
98.97561	73.4
99.08087	6.0
105.04456	4.1
105.07016	18.5
107.04918	12.9
107.08575	53.8
109.06491	5.6
109.10147	10.4
111.08049	4.1
116.98608	75.4
117.07022	15.0
119.08559	28.1
121.06499	12.3
121.10120	58.8
125.05965	14.2
130.07680	3.4
133.10104	3.6
134.99631	64.2
135.04393	6.1
135.08018	9.2
135.08983	2.5
135.11665	72.0
137.09586	6.5
140.00166	10.6
145.10114	29.1
153.00687	16.4
158.01210	13.2
163.11159	46.6
165.07008	3.6
166.07726	5.9
174.93344	2.6
181.04913	10.2
181.06387	3.4
181.09984	6.5
181.12172	38.3
182.08150	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	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22608	0.8
53.03935	1.4
55.01843	1.9
55.05485	3.6
57.03410	1.3
57.07071	23.0
58.21064	0.8
59.04974	2.9
66.93591	0.8
67.05483	3.0
69.03394	1.7
69.07053	4.2
70.19551	1.4
70.19952	2.2
77.87886	0.8
79.05482	12.5
80.20011	0.8
81.03400	6.9
81.07040	6.3
83.04971	50.4
91.05472	4.9
93.07040	10.0
95.04399	1.3
95.04961	17.5
95.08618	1.6
97.06519	25.7
98.97569	4.1
103.05451	1.0
105.07028	5.6
107.04932	3.9
107.08588	10.3
109.06487	1.2
111.04457	1.2
116.98597	4.6
117.06976	2.0
119.08534	4.2
121.06460	3.7
121.10135	14.6
123.08044	1.0
125.05978	65.4
126.06314	1.7
130.07762	2.5
134.99640	8.1
135.04373	2.4
135.07997	2.2
135.11674	6.5
145.10101	11.4
153.00653	2.0
158.01210	1.6
163.03792	1.2
163.11160	100.0
164.11446	2.6
166.07704	1.2
169.76088	0.9
181.04929	4.0
181.10143	3.0
181.12196	32.0
182.05774	2.6
182.08124	2.1
182.12489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.55303	1.1
53.03941	5.9
55.01855	5.4
55.05502	28.6
56.96549	3.2
57.03199	1.5
57.03431	18.3
57.07060	3.6
65.03925	2.7
67.05495	100.0
68.05832	1.2
69.03414	3.6
69.07059	27.9
69.47230	12.8
71.00983	1.6
71.01344	25.9
71.04984	9.1
79.05482	99.4
80.05823	1.4
81.03407	48.1
81.07044	58.7
82.03770	1.5
83.04966	51.2
83.08611	10.7
85.02874	1.9
85.06530	4.7
91.05466	45.7
92.54597	1.2
93.07032	91.5
94.07358	1.7
94.64864	1.1
95.04961	16.5
95.08585	20.6
97.05941	2.3
97.06519	26.3
97.10159	4.6
97.54915	1.3
98.97581	12.6
99.04411	3.0
99.08093	5.6
103.05475	1.9
105.07011	12.2
107.04949	14.3
107.08579	45.9
109.06479	4.2
109.10120	8.3
111.08051	4.3
113.67637	1.1
116.98626	14.4
117.06999	18.4
119.08569	25.0
121.06493	15.9
121.10123	43.5
122.10432	1.3
123.08050	1.7
123.25347	1.3
125.05982	3.9
130.07797	2.0
133.10135	5.0
134.99643	11.5
135.08037	4.5
135.11676	67.5
136.11938	2.0
137.09576	9.4
138.09863	1.5
145.10094	26.1
154.08452	1.3
158.01274	1.3
163.03978	1.2
163.11162	27.4
168.59065	1.3
181.04913	2.1
181.12202	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.98014	1.2
53.03930	3.5
55.01863	2.1
55.05507	41.6
56.96549	4.0
57.03418	2.9
57.07068	17.8
65.03950	1.7
67.05500	13.5
69.03419	2.7
69.07075	6.6
70.22791	1.9
70.23207	4.5
71.04967	1.8
72.86317	1.2
79.05489	13.3
81.07046	16.3
83.04973	20.9
83.08610	3.6
85.06525	5.6
91.05470	13.2
93.07031	27.7
95.04946	7.7
95.08599	23.8
97.06525	16.5
98.20822	2.0
98.97566	23.5
105.07001	10.3
107.04892	1.8
107.08579	37.8
109.06499	9.0
109.10143	3.1
111.04430	100.0
111.08049	6.6
113.06011	5.2
116.98601	28.9
117.06992	3.7
119.08577	3.7
120.98879	1.2
121.06522	6.0
121.10133	11.6
122.07285	3.0
125.05978	51.4
126.06298	1.4
127.07539	3.9
130.07764	5.6
134.99646	21.5
135.04413	1.5
135.08031	23.7
135.11684	28.3
135.12616	1.1
137.09554	1.5
137.13243	1.4
138.06744	3.0
139.07553	3.0
139.11218	1.2
140.00226	2.3
141.64009	1.3
145.10104	21.6
147.23361	1.2
152.06137	1.5
153.00714	4.6
153.12703	5.7
158.01257	3.7
163.03844	1.3
163.11168	25.6
165.06953	2.3
166.07744	2.3
181.04951	4.2
181.10132	4.2
181.12204	40.6
181.15790	2.0
182.08156	1.5
204.67349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03920	5.7
55.01866	10.4
55.05243	1.8
55.05500	29.8
56.96308	2.6
56.96558	39.6
57.03419	4.0
57.07063	9.2
60.47062	1.7
65.03908	3.7
67.05153	1.8
67.05489	32.4
69.03403	6.3
69.07052	16.9
69.59794	1.7
71.03305	4.7
71.04959	5.0
71.95243	4.0
73.02883	4.0
74.54430	1.5
79.05029	3.0
79.05479	59.0
80.05778	2.1
81.03391	6.5
81.07048	35.1
83.04966	19.3
83.08620	9.9
85.06517	2.6
91.05471	21.9
93.07030	83.7
94.07318	2.7
95.04951	17.0
95.08588	66.3
97.02871	4.0
97.06512	15.0
98.97565	89.9
99.04443	2.6
103.05460	3.3
105.07014	14.2
107.04940	22.1
107.08572	54.4
109.06476	5.6
109.10116	4.6
111.04443	9.2
111.08032	4.6
115.05432	2.0
116.98603	100.0
117.07018	12.1
119.08547	15.5
121.06485	16.7
121.10126	33.5
123.08031	2.6
125.04214	2.9
125.05980	19.3
130.07753	4.5
133.10054	2.7
134.99634	99.4
135.04388	4.4
135.08032	7.4
135.11667	65.0
136.07523	3.2
137.09615	1.7
139.03835	3.9
139.07481	6.5
140.00192	8.7
142.04541	2.3
143.08522	1.7
145.06924	1.6
145.10098	36.2
153.00673	21.8
153.05452	2.9
158.01222	19.0
163.03842	3.1
163.11160	80.0
164.11453	2.1
166.07732	2.7
176.02235	3.3
181.01579	3.0
181.03133	18.5
181.04915	11.2
181.06366	3.3
181.08568	3.5
181.10583	1.8
181.12195	53.7
181.13803	2.8
182.08105	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03933	0.4
55.01854	0.9
55.05498	2.2
56.96537	0.6
57.03406	0.4
57.07044	1.5
59.04989	2.9
60.68108	0.4
67.05493	3.2
69.03416	2.4
69.07055	4.0
70.36824	0.8
70.37219	1.0
73.02908	0.6
79.05481	7.2
81.07042	7.4
83.04944	1.3
83.08589	0.8
87.04476	0.6
91.05465	2.8
93.07029	19.2
95.04942	1.5
95.08590	14.1
96.08910	0.5
97.06522	1.8
98.97562	5.3
105.06983	3.2
107.04934	1.3
107.08576	33.7
108.08907	1.0
109.06492	1.1
109.10122	2.1
111.04408	1.7
111.08059	1.5
116.98611	4.9
117.06989	1.1
119.08552	4.2
121.05697	0.5
121.06493	4.4
121.10124	18.2
122.10413	0.5
123.08062	4.0
125.05989	3.2
130.07767	0.7
134.99677	2.7
135.11673	42.6
136.12018	1.5
137.09561	0.6
137.13222	1.5
139.07510	9.1
145.10098	11.1
153.12674	2.6
163.11156	25.8
164.11491	1.1
181.12202	100.0
182.12529	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	181.122
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.91153	1.4
53.03935	1.7
55.01856	3.3
55.05495	8.4
56.96555	8.9
57.03417	1.6
57.07055	5.4
66.19335	1.2
67.05500	10.6
69.03404	2.7
69.07043	6.6
70.12764	1.1
70.27676	4.6
71.04970	2.5
71.95255	2.3
73.03679	1.1
79.05481	9.6
81.03397	1.8
81.05840	1.2
81.07039	8.6
83.04958	10.3
83.08607	2.4
85.06529	1.5
91.05457	11.2
93.07024	32.3
95.04960	6.8
95.08584	16.5
97.06510	19.6
98.97568	40.8
99.04474	1.8
105.07003	5.6
107.04932	1.8
107.08569	21.6
109.06485	4.2
109.10117	3.4
111.04432	5.8
111.08069	12.9
116.98602	48.0
117.06989	3.0
119.08539	3.4
121.02843	2.0
121.06492	3.8
121.10110	4.9
123.04427	1.4
125.05970	71.9
125.09573	2.6
126.06236	1.5
130.07765	2.3
134.99641	40.0
135.04401	3.2
135.08014	6.5
135.10750	1.9
135.11679	24.5
136.07527	3.3
136.12022	1.4
138.06717	9.4
139.03882	1.5
139.07552	1.6
140.00145	5.2
145.10066	10.6
153.00621	6.1
153.09085	1.2
153.12709	6.8
154.08553	2.6
158.01222	5.5
163.09792	1.5
163.11171	24.4
164.07103	1.8
164.11501	1.8
166.07710	2.3
171.09703	1.1
181.04903	4.9
181.08679	1.9
181.09772	2.6
181.12201	100.0
181.15741	4.2
182.08101	2.8
182.12558	3.8
195.20578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0856
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
50.01601	0.9
51.02390	1.5
53.03936	11.4
55.01859	14.5
55.05492	3.1
56.96556	7.2
57.03427	4.8
57.07051	3.8
59.04967	1.4
59.06104	1.8
59.56998	1.0
60.04522	0.9
61.62844	0.8
65.03928	9.9
67.05493	5.2
68.05000	0.9
69.03409	2.6
69.07042	3.0
70.84004	3.2
70.84372	1.0
71.01344	8.5
71.04961	3.0
75.04464	10.9
77.03899	1.9
78.04692	5.9
78.95164	0.8
79.05479	18.4
81.02982	0.9
81.03404	3.4
81.04539	0.9
81.07053	6.4
82.04189	1.1
82.06592	1.1
83.04972	10.2
83.06059	1.7
83.08633	1.4
85.02870	3.0
85.06534	1.1
85.07639	0.8
89.03889	1.6
89.06033	0.9
91.05466	57.6
93.03389	12.0
93.07030	36.1
94.07365	1.1
95.04951	29.6
95.06058	2.1
95.08591	2.5
97.02867	4.3
97.06515	11.9
97.07562	1.1
98.97564	28.9
99.05569	1.9
99.97863	1.0
103.05450	31.1
105.03360	2.5
105.04486	3.1
105.06997	6.7
106.04158	20.9
107.04945	13.5
107.08568	7.2
108.05717	1.2
109.02876	1.0
109.06487	7.5
110.03664	1.7
110.07250	1.7
111.04409	5.3
111.08080	4.3
113.02406	0.9
115.05444	1.0
116.31757	0.9
116.98602	39.8
117.03349	1.1
117.06966	2.1
119.04910	3.9
119.08525	2.5
120.05696	1.2
121.02854	1.3
121.06487	100.0
121.10127	9.7
122.07112	3.8
123.04412	3.3
123.05553	1.9
123.08039	3.4
124.05081	1.6
124.08628	1.6
125.02343	11.9
125.05981	16.2
131.04900	2.5
131.05972	1.1
133.02805	1.0
134.03625	9.8
134.99637	42.3
135.04405	5.1
135.08041	8.6
135.11646	4.8
136.07607	2.1
136.08633	1.9
137.05945	9.7
137.06905	1.4
137.09566	1.0
138.03111	2.3
138.06720	6.6
139.03885	2.6
139.07538	5.3
139.09708	2.7
140.00165	2.7
140.04654	32.4
140.08159	2.6
141.05057	1.1
145.10091	3.5
148.05205	6.2
149.05957	61.6
151.03876	1.8
152.08330	2.3
152.39647	0.8
153.00710	7.8
153.05452	16.8
153.06750	1.3
153.09074	17.0
158.01215	4.0
163.03873	3.8
163.07506	11.9
163.08698	1.2
163.11143	20.8
164.07022	1.6
165.07002	1.0
166.06206	4.1
166.98608	1.2
167.07030	1.2
181.05040	9.6
181.06657	2.0
181.08575	44.9
181.10713	2.7
181.12053	7.2
182.08064	2.6
182.11790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	5.2
55.01865	8.5
55.05501	35.0
57.03423	3.2
57.07063	2.4
59.04989	0.8
64.84606	0.7
65.03930	3.5
67.05492	100.0
68.05825	1.5
69.03419	1.5
69.07056	15.4
69.60601	0.6
71.04987	3.0
77.03894	1.0
79.05479	64.2
81.03405	22.9
81.03883	1.3
81.07041	89.9
82.07384	1.8
83.04965	36.6
83.08604	16.8
83.09081	1.3
85.06532	2.7
90.62386	0.6
91.05463	51.9
92.05770	1.1
93.07028	41.9
94.07356	1.2
95.04946	12.9
95.05502	0.9
95.08588	74.7
96.08902	1.8
97.06515	33.9
97.10158	2.7
98.21421	1.3
99.08059	3.2
105.07014	27.3
107.04949	0.8
107.08569	10.6
109.06503	7.0
109.10130	13.3
111.08058	9.7
113.09612	7.2
115.66276	0.6
117.07014	2.4
119.04933	1.5
119.08556	34.5
121.10141	6.4
123.08067	4.0
131.08560	1.5
133.10104	20.6
135.11679	8.2
137.09598	2.3
137.13155	1.0
147.04346	1.2
159.11694	1.5
161.05951	0.9
161.09637	1.0
161.13220	16.3
179.03351	3.2
179.06396	0.8
179.14278	50.2
180.06586	1.1
180.14642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02365	1.0
53.03935	5.7
55.01858	11.1
55.05502	30.2
57.03420	3.8
57.07067	2.4
61.45959	0.9
65.03923	3.5
67.05492	100.0
67.90969	0.9
68.05818	2.0
69.03398	2.8
69.06697	1.3
69.07056	18.6
70.05988	5.5
71.04977	4.2
76.37174	1.0
76.61813	1.0
79.05480	68.4
80.05849	1.7
81.03404	26.1
81.07042	97.3
82.07396	1.7
83.04966	37.6
83.08607	14.7
85.06543	2.8
89.36355	1.1
91.05465	61.4
92.05790	1.5
93.07029	49.3
94.07398	1.2
95.04943	14.0
95.08589	85.0
95.39193	1.0
96.05260	1.0
96.08921	1.2
97.06517	32.9
97.10137	3.8
98.98467	1.6
99.08055	3.0
105.07015	35.3
107.08575	13.1
108.04459	1.2
109.06508	8.8
109.10128	14.8
111.08087	10.2
113.09636	6.9
117.06986	2.8
119.04929	4.6
119.08556	39.8
121.06437	1.2
121.10099	6.5
123.04417	3.5
123.08089	5.9
123.11678	1.7
133.02817	1.7
133.06459	3.4
133.09184	1.8
133.10112	26.3
135.11659	8.7
137.05966	1.5
137.08586	1.0
137.09592	3.4
147.04347	5.9
151.03867	2.6
151.07497	1.3
151.11147	2.1
152.06982	1.3
161.05959	3.2
161.09546	1.8
161.13239	19.5
162.09125	1.8
178.07776	1.2
179.03326	12.7
179.06528	5.1
179.08339	2.3
179.10677	4.9
179.14291	62.1
180.06523	2.8
180.10187	1.8
180.14687	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.21557	0.5
51.36641	0.6
53.03944	5.1
54.03966	0.6
55.01867	7.0
55.05503	29.6
57.03420	3.6
57.07060	1.6
59.04997	1.3
65.03931	4.0
67.05494	100.0
68.05827	1.3
69.03422	1.8
69.07057	15.8
71.04982	2.7
71.32713	1.6
73.05652	0.6
79.05481	67.1
80.05828	1.1
81.03407	22.4
81.07042	91.0
82.07399	1.4
83.04967	35.5
83.08606	15.8
84.28944	0.5
85.06508	3.7
91.05465	50.7
92.05786	0.9
93.07031	42.8
95.04955	12.5
95.05551	0.4
95.08591	72.4
96.08945	1.5
97.06516	33.3
97.10152	3.2
98.06837	0.6
99.08069	2.5
103.05376	0.7
105.04564	0.8
105.07018	27.4
107.08576	10.8
109.06508	7.2
109.10145	11.7
109.11776	0.6
111.08066	9.0
113.09629	7.8
117.06999	2.5
119.04938	0.8
119.08561	32.4
120.08862	1.1
121.10121	6.4
123.08064	3.4
131.08559	1.4
133.10115	18.5
134.10461	0.8
135.11661	5.9
137.09572	2.3
137.13258	0.7
147.04344	1.0
159.11687	1.5
160.45868	0.6
161.13242	16.4
175.64745	0.6
179.03333	2.7
179.06529	0.9
179.14284	49.8
180.14592	1.6
186.36008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.96678	1.0
53.03933	3.9
55.01852	4.0
55.05503	18.7
57.03433	6.2
57.07051	4.3
65.03933	2.2
67.05495	88.8
68.05816	1.7
69.03429	6.9
69.07058	14.1
71.03311	3.0
71.04984	7.6
79.05487	22.2
81.03401	3.7
81.07046	66.7
83.04957	5.4
83.08614	5.0
85.06509	1.8
85.10157	1.4
91.05470	18.7
93.06441	1.5
93.07028	26.2
95.04957	18.4
95.08594	100.0
96.08933	1.7
97.06509	4.1
105.07018	18.9
107.04936	2.3
107.08585	13.1
109.06510	11.6
109.10140	44.8
110.10500	1.1
111.08079	2.8
112.23749	0.9
117.07027	1.5
119.04884	2.6
119.08574	22.6
121.06530	1.3
121.10125	5.4
123.04401	2.5
123.08054	20.0
123.11698	1.7
133.06511	1.5
133.10118	9.5
135.11653	6.8
137.05952	1.3
137.09587	21.6
137.13211	2.8
146.03551	1.0
147.04454	1.7
151.11159	1.4
151.14819	8.7
161.05980	1.7
161.09602	1.8
161.13239	7.6
179.03288	5.3
179.06587	1.4
179.08342	1.7
179.10640	2.7
179.14290	50.8
180.14648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	1.5
55.01854	4.2
55.05503	7.9
55.30867	0.6
56.96560	1.3
57.03432	5.0
57.07062	1.3
59.60387	0.5
65.03938	1.3
67.05494	41.9
69.03417	1.9
69.07059	9.6
69.20309	0.6
70.19022	2.9
70.80506	0.6
71.05001	2.8
76.02230	0.9
79.05482	26.9
80.05824	0.7
81.03420	1.5
81.07043	100.0
82.07391	1.7
83.04967	5.6
83.08602	3.6
85.06533	5.7
91.05465	25.6
93.07030	25.7
93.52789	0.6
94.07366	0.7
95.04942	6.1
95.08591	66.5
96.08936	1.9
97.06517	17.0
97.10158	0.7
99.08078	15.9
99.08711	1.2
103.20299	0.5
105.03351	0.7
105.07014	28.0
107.04930	1.5
107.08578	12.0
108.04476	1.1
109.02871	0.9
109.06501	6.8
109.10133	5.8
111.08076	4.5
112.07626	1.0
113.09641	1.3
115.05479	0.9
117.07000	1.6
119.04929	2.9
119.08560	35.6
119.73933	0.6
121.06487	1.6
121.10122	8.4
122.06085	0.6
123.04408	2.3
123.08041	7.3
124.07587	0.7
132.09285	0.6
133.02823	1.4
133.06454	1.6
133.10109	27.2
134.05988	1.1
135.04343	0.8
135.11678	17.2
136.05159	1.2
136.09818	0.7
137.05952	0.6
137.09584	3.4
138.06734	1.1
147.04396	3.9
148.08835	0.9
149.05939	0.8
151.07500	7.8
151.11153	0.9
151.14752	1.3
152.07042	1.1
159.11687	1.2
161.05962	2.1
161.09605	2.1
161.13235	60.5
162.13548	2.4
164.08282	1.2
179.03371	7.0
179.06555	3.3
179.08311	1.1
179.10773	3.8
179.14284	72.6
180.06516	1.2
180.10124	1.0
180.14647	3.0
184.75127	0.7
199.55272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.24353	1.0
53.03935	1.8
55.01854	4.6
55.05510	10.3
56.96574	1.5
57.03431	7.4
57.07047	1.6
65.03933	2.0
67.05493	43.8
69.03405	3.4
69.07056	12.7
71.04974	4.2
71.14955	3.1
73.45418	1.1
77.03875	1.3
79.05483	31.9
79.84045	1.1
81.07045	100.0
83.04983	7.7
83.08609	4.4
85.06522	9.1
91.04925	1.7
91.05470	31.9
91.06042	1.9
93.07032	38.7
95.04946	5.9
95.08592	79.0
96.08932	1.7
97.06512	17.2
99.08087	11.2
102.99255	1.0
105.07012	38.5
107.08585	20.1
108.04439	1.2
109.06506	6.8
109.10134	7.4
111.08064	5.1
117.07005	2.3
119.04934	2.6
119.08561	59.9
121.10128	17.4
123.08064	10.1
123.11664	1.3
133.02859	1.1
133.10107	31.7
134.10521	1.4
135.11676	34.3
137.09589	5.1
137.13245	2.4
138.83260	1.2
147.04358	3.9
151.07562	1.0
151.11188	3.3
161.05939	2.2
161.13232	93.0
162.13580	2.1
179.03407	5.3
179.06487	3.2
179.14288	94.0
180.10104	1.4
180.14589	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	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.39714	0.3
59.35938	0.3
68.59093	0.3
70.87687	1.0
81.07032	0.3
91.05470	0.8
92.05013	0.5
93.05804	0.3
93.07011	0.6
94.06567	0.3
95.06064	0.4
98.21457	0.4
105.07006	0.6
107.08569	0.3
115.05447	0.6
117.07008	2.0
118.06525	9.1
119.07309	9.6
125.83797	0.3
129.83171	0.3
132.08115	0.9
134.09631	65.3
135.09982	2.4
147.58339	0.4
150.55363	0.3
151.73448	0.3
160.11168	0.7
162.09073	2.1
163.09889	1.0
178.12238	100.0
179.03319	0.7
179.12624	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	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.07564	1.0
53.03938	2.7
53.53052	1.0
55.01853	4.2
55.05270	1.7
55.05503	19.2
57.03425	5.4
57.07072	8.0
59.04975	1.5
65.03930	3.1
67.05494	54.1
69.03407	3.7
69.07055	11.5
69.44202	4.7
69.44630	7.3
71.04964	4.4
79.05482	24.0
80.87730	1.0
81.03417	1.8
81.07045	100.0
82.07380	1.1
83.04953	3.6
83.08616	5.5
85.06522	3.1
85.10155	2.1
91.05473	14.3
91.96212	1.0
93.07035	26.0
93.77100	1.2
95.04956	20.5
95.08594	76.7
97.06503	6.6
102.76003	1.1
103.46812	1.1
103.67184	1.1
105.07015	23.9
107.08574	13.5
109.06497	19.9
109.10143	22.7
111.08083	1.9
117.07001	1.5
119.04914	1.6
119.08569	17.9
121.10118	7.9
123.08064	20.5
133.06442	1.5
133.10159	7.6
135.11690	6.0
137.09618	7.8
137.13246	1.4
138.37642	1.1
147.04375	2.3
151.11176	1.7
151.14796	5.5
156.86266	1.0
161.09514	1.1
161.13235	12.2
164.04008	1.2
179.03336	5.3
179.06439	2.3
179.08330	1.2
179.10689	3.6
179.14293	37.1
180.14565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03928	2.1
55.01870	4.3
55.05264	0.8
55.05500	4.9
57.03411	2.5
65.03918	1.7
66.11871	0.7
67.05496	23.9
69.07059	8.3
71.70256	1.1
79.05482	39.5
80.05800	0.8
81.03393	2.4
81.07042	40.7
83.04965	5.9
83.08593	3.9
83.89907	0.8
85.06523	1.1
88.02197	1.3
89.03880	1.6
91.05466	39.2
92.05807	0.9
93.07028	56.3
94.07366	1.6
95.04955	11.3
95.08590	12.7
97.06521	11.3
98.98449	17.7
103.05447	2.1
105.07006	24.6
106.07336	0.8
107.04929	5.8
107.08578	25.1
109.06498	5.5
109.10101	1.2
111.08064	4.5
115.05441	2.2
117.03336	3.1
117.07008	26.7
119.08553	5.4
121.02885	0.8
121.06489	5.1
121.10125	20.2
129.06975	2.2
130.07796	1.3
131.04887	1.2
131.08549	32.7
133.06581	1.1
133.10112	35.1
134.71086	0.9
135.04370	0.9
135.08023	8.5
135.11656	11.3
144.09357	2.2
145.02823	3.1
149.02339	5.3
149.05959	3.1
149.09630	4.0
149.13229	15.8
157.10120	1.8
157.95436	0.9
159.07980	1.2
159.11674	42.5
160.07526	1.0
160.12048	1.5
163.03870	1.0
177.05447	5.4
177.09181	2.7
177.12720	100.0
178.08647	2.6
178.13100	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	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
52.66030	0.6
53.03943	4.7
55.01875	2.9
55.05510	5.4
56.96581	0.7
57.03433	1.6
57.07065	0.8
63.84856	0.5
65.03925	1.7
67.05497	35.6
68.05828	0.7
69.07051	6.9
71.71535	1.1
77.03918	1.8
77.91092	0.6
78.04691	0.7
79.05485	53.6
80.05791	0.7
81.03411	1.5
81.07044	44.6
82.07362	0.9
83.04965	3.0
83.08607	11.7
85.06516	1.0
88.02260	0.9
89.03915	2.0
91.05469	50.2
92.05811	1.6
93.07033	100.0
94.07363	1.8
95.04958	15.3
95.08594	12.2
97.06514	12.1
98.98455	17.4
99.08052	2.9
103.05455	1.7
105.04507	1.4
105.07018	16.9
107.04933	3.4
107.08581	16.3
109.06507	6.3
109.10130	2.1
111.08075	2.0
115.05441	1.3
116.99472	0.8
117.03356	3.5
117.07003	23.8
117.28065	0.6
119.08566	2.7
121.02853	1.5
121.06528	3.1
121.10124	14.0
128.06125	0.6
129.06969	1.7
131.08554	29.2
132.08884	1.3
133.06450	1.1
133.10112	19.9
134.03624	0.8
135.04405	0.8
135.08022	4.4
135.11691	5.4
144.09355	1.1
145.02809	4.5
149.02325	5.6
149.05977	3.3
149.09564	1.7
149.13258	8.9
157.10080	1.3
159.08060	1.8
159.11679	49.2
160.12013	1.4
177.05443	5.5
177.09085	2.2
177.12729	53.8
177.16180	5.8
178.07207	0.8
178.08655	2.6
178.13051	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	5.4
55.01862	9.0
55.05499	15.9
55.95249	0.9
56.96539	3.3
57.03161	1.1
57.03426	19.0
57.07058	2.2
64.64394	1.0
65.03912	3.8
67.05496	35.7
69.03399	3.1
69.07050	13.5
70.47629	1.1
71.04987	2.2
71.37077	1.0
71.69901	1.0
71.70300	1.5
77.03889	1.2
78.04690	2.4
79.05479	57.2
80.05012	1.1
81.03387	3.5
81.07043	52.9
81.96535	1.1
83.04962	7.4
83.08598	11.4
85.06516	5.0
86.40076	0.9
88.02200	2.4
89.03896	14.3
91.05465	68.2
92.05789	1.3
93.03395	1.4
93.07028	100.0
94.07361	2.1
95.04386	1.8
95.04951	19.3
95.08591	14.6
97.06516	10.7
98.04875	0.9
98.98452	26.1
99.08064	2.8
100.98891	1.1
103.05463	5.2
105.03335	1.1
105.04517	1.8
105.06329	1.8
105.07007	30.5
106.04152	4.7
106.07341	1.1
107.04930	8.7
107.08575	38.8
108.08871	1.3
109.06499	12.8
109.10159	1.5
111.08042	2.9
115.05434	7.0
116.06179	2.4
116.99506	1.1
117.03364	18.6
117.06998	38.5
119.04941	1.2
119.06049	1.2
119.08561	15.7
121.02856	2.0
121.05714	1.2
121.06495	15.0
121.10126	18.1
123.08009	2.5
129.06982	10.7
130.07762	11.4
131.04851	2.2
131.08542	79.6
132.08876	2.4
133.06442	3.2
133.10109	18.3
134.03607	5.2
135.04372	3.2
135.08012	23.1
135.11673	8.3
136.08539	1.0
144.08365	1.0
144.09328	8.0
145.02806	21.9
148.08789	1.7
149.02307	9.3
149.05952	12.6
149.07033	2.2
149.09604	6.5
149.13237	12.0
150.09064	1.5
157.10069	2.2
159.08064	2.3
159.11667	61.1
160.11992	2.1
162.03094	2.3
162.10402	1.2
177.05411	18.8
177.06622	1.4
177.08978	7.0
177.12709	81.1
177.16325	3.8
178.04994	2.7
178.08600	5.5
178.13048	3.3
186.05423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	2.8
53.16725	0.6
55.01863	5.4
55.05504	4.1
57.03408	2.4
65.03925	1.4
67.05496	20.2
68.87557	0.6
69.03408	2.4
69.07058	7.8
71.04984	1.0
76.03406	0.7
77.03917	0.8
79.05477	31.1
79.65868	0.6
81.03430	5.1
81.07040	30.9
83.04948	3.4
83.08620	3.9
85.06516	1.1
88.02200	0.9
89.03919	1.6
91.05463	30.7
91.06043	1.5
92.05785	0.9
93.07025	42.3
94.07342	1.4
95.04949	10.5
95.08588	8.2
97.06499	7.8
98.98449	14.8
103.05433	1.5
105.07011	20.0
107.04934	9.1
107.08572	22.3
108.08919	1.1
109.06482	5.2
109.10117	2.3
111.08047	2.9
115.05441	1.6
117.03354	2.2
117.06990	18.9
119.04910	0.7
119.08558	6.4
121.02840	1.2
121.06467	4.9
121.10112	13.9
123.08052	0.9
128.06380	0.7
129.06964	2.5
130.07750	1.9
131.04889	1.7
131.08540	27.9
132.08818	0.9
133.06487	1.6
133.10104	22.1
134.07182	0.8
134.10457	1.5
135.08034	11.0
135.11662	8.3
144.09299	2.2
145.02829	2.1
148.08772	0.8
149.02315	4.0
149.05908	2.1
149.09633	3.5
149.13231	13.9
157.10129	1.0
159.08020	1.5
159.11664	33.8
160.11967	1.3
177.05367	3.8
177.09187	2.1
177.12718	100.0
177.16234	2.8
178.08650	2.2
178.13156	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	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.61819	0.5
52.25327	0.5
53.03933	3.6
55.01863	2.4
55.05507	5.1
56.96569	0.6
57.03428	1.4
57.05197	0.6
57.07069	0.6
65.03928	2.5
67.05495	38.4
68.05814	0.7
68.71157	0.5
69.03427	0.9
69.07058	7.8
70.76291	1.4
70.76653	1.1
71.05001	0.8
79.05481	50.9
80.05031	0.6
80.05820	1.0
81.03414	1.4
81.07043	49.0
82.07373	0.6
83.04955	5.2
83.08605	9.3
85.06536	1.3
88.02180	1.1
89.03890	3.0
90.69487	0.7
91.05466	53.6
92.05796	1.2
93.07030	100.0
94.07343	1.9
95.04951	19.2
95.08589	11.7
95.09190	0.7
96.05309	0.6
96.21787	0.6
97.06516	13.2
98.98451	36.0
99.08079	2.6
103.05443	1.4
105.04488	1.9
105.07013	19.0
107.04951	3.8
107.08572	14.3
109.06497	6.2
109.10118	0.8
111.08063	3.7
115.05415	1.4
116.99506	1.8
117.03347	4.0
117.07000	26.7
118.07822	0.7
119.08570	3.3
121.02840	1.4
121.06519	3.1
121.10124	9.5
123.08080	1.0
129.06987	2.6
131.04898	0.9
131.08546	35.3
132.08902	1.3
133.10107	22.5
134.03586	1.4
134.10410	0.7
135.04338	1.4
135.08031	4.6
135.11655	6.8
136.12045	0.7
144.09338	1.6
145.02863	4.7
149.02332	5.7
149.05927	3.6
149.09613	3.0
149.13242	11.2
157.10098	0.7
159.04399	0.8
159.11667	53.1
160.12022	2.3
177.05423	5.4
177.09091	2.3
177.12720	61.8
177.16162	2.7
178.04956	1.2
178.08630	2.2
178.13066	2.1
186.05367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.8
53.03947	4.8
55.01851	2.9
55.05500	6.0
57.03411	2.1
57.49947	0.8
65.03900	2.1
67.05494	38.6
69.03398	1.5
69.07060	6.5
69.83958	5.1
71.04981	1.0
72.76271	0.8
72.95540	0.7
77.03907	1.3
78.04710	0.9
79.05481	44.6
80.05780	1.4
81.03396	2.2
81.07044	49.3
82.07393	1.2
83.04958	5.0
83.08607	12.1
85.06509	1.1
88.02160	1.1
89.03902	8.5
91.05466	52.2
93.07030	100.0
94.07351	3.1
95.04400	1.4
95.04957	18.7
95.08591	11.8
97.06516	12.2
98.21395	0.8
98.98453	15.4
99.08059	3.5
100.98965	0.8
103.05481	1.9
105.04514	1.6
105.07011	19.0
106.04164	2.0
107.04951	4.3
107.08575	16.7
109.02811	0.8
109.06508	7.6
111.08105	4.5
115.05409	1.6
116.06252	1.2
117.03356	13.2
117.06997	26.8
119.08553	4.3
121.02826	1.0
121.06470	4.5
121.10134	8.6
123.72633	0.8
126.41578	0.7
129.06941	2.3
130.07774	1.0
131.04869	1.1
131.08549	32.0
132.08867	1.2
133.06487	0.9
133.10107	20.5
134.03612	1.3
135.04375	2.8
135.07991	5.1
135.11665	5.8
140.28282	0.8
144.09280	1.7
145.02820	16.9
149.02327	3.4
149.05978	6.4
149.09587	2.4
149.13231	9.6
150.13634	1.0
157.10181	1.3
158.05997	0.9
159.08005	1.4
159.11668	55.2
160.11993	2.1
163.56274	0.8
177.05417	9.3
177.07657	1.6
177.09279	4.2
177.12723	74.2
177.16260	2.3
178.08614	3.5
178.13066	1.9
178.15915	0.8
189.51416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.61227	1.2
55.01842	1.8
55.05492	2.0
55.79612	1.2
56.04992	1.1
57.03424	16.2
57.07066	2.6
59.04974	4.4
65.03919	3.6
67.05508	1.8
68.05002	1.1
69.03423	2.7
69.07061	1.4
69.55287	12.0
70.09878	1.3
71.04976	12.5
71.08619	26.4
78.04704	2.6
79.05490	8.6
81.07039	23.5
83.04955	7.3
83.08595	1.2
85.04007	1.1
85.06526	6.5
89.03907	9.5
89.05976	1.2
91.05466	13.2
93.03397	2.2
93.07011	8.1
95.01325	1.4
95.04961	3.3
95.08595	4.3
97.06467	1.9
98.98450	19.7
99.08081	22.4
103.05445	13.9
104.04956	5.0
105.03353	2.4
105.07005	4.1
106.04153	15.4
107.04961	1.4
107.08571	7.0
109.02863	2.0
109.06502	12.7
110.07133	1.9
115.07534	3.0
117.03342	11.5
117.07011	2.5
117.09110	43.1
119.08566	2.5
120.08070	1.8
121.02844	5.7
121.06483	9.0
121.07374	1.3
121.10125	8.3
122.06012	2.7
124.78116	1.3
131.01840	2.3
131.04901	4.2
131.08546	4.2
132.04424	20.3
133.10103	2.4
134.03619	4.1
135.04428	2.0
135.08051	3.9
135.11644	2.8
141.09084	3.4
144.09340	2.1
145.02824	14.0
149.02330	8.3
149.05957	14.5
149.09590	3.6
149.13278	1.5
150.06374	1.6
159.08069	1.9
159.11635	3.6
162.03058	2.1
177.01820	15.8
177.05449	18.6
177.07675	2.5
177.08974	10.2
177.11327	2.6
177.12721	13.3
177.16331	3.3
178.04953	100.0
178.10858	1.8
194.30544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
53.50943	2.1
55.01865	3.9
55.05487	6.8
57.03429	42.5
57.07063	6.0
59.04982	10.2
61.02902	3.1
65.03930	4.6
67.05480	3.6
68.99800	3.5
69.03415	5.4
69.07063	4.9
70.29610	8.1
71.04982	41.2
71.08619	83.6
73.06538	2.8
74.66940	2.4
78.04700	11.8
79.05476	24.0
81.04509	3.0
81.07043	61.3
83.04964	14.9
85.06538	12.3
87.05611	3.2
89.03902	20.5
91.05463	34.3
93.07024	18.8
95.04958	14.8
95.06082	2.8
95.08598	7.5
97.06468	2.5
98.98456	35.3
99.08083	56.7
103.05457	52.7
105.03358	3.3
105.07016	7.3
106.04163	55.7
107.04932	4.6
107.08586	12.8
109.06509	25.8
109.10109	3.5
115.07566	5.9
117.03361	27.4
117.06993	6.9
117.09116	100.0
119.04881	4.4
119.08576	6.6
120.04427	2.3
121.06491	34.5
121.10116	16.0
122.06961	2.4
131.04927	16.1
131.08566	9.1
133.10109	4.3
134.03598	8.4
135.04384	7.3
135.08069	5.2
135.11653	3.8
136.08672	3.3
141.09079	12.9
145.02821	13.5
145.08574	4.1
146.03601	7.2
149.02301	11.8
149.05963	64.1
149.09599	4.7
149.13217	4.0
150.10281	2.8
159.07990	4.4
159.11693	11.8
162.03046	5.3
163.03786	5.2
177.05447	60.0
177.07454	5.9
177.08846	12.0
177.11339	5.1
177.12650	21.5
177.16365	7.3
178.06035	4.1
178.10904	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03936	1.9
53.78550	0.4
55.01857	1.6
55.05501	3.7
56.96560	1.3
63.02370	1.7
65.03922	1.7
67.05482	3.3
69.03411	0.5
69.07053	7.0
69.87734	2.1
69.88152	1.3
77.03890	0.6
78.04695	6.0
78.96815	0.5
79.05473	7.1
81.03414	0.6
81.07040	6.8
83.04963	0.8
83.08590	4.4
88.50381	0.5
89.03900	52.0
90.04224	1.3
91.04919	1.1
91.05463	16.1
93.07027	14.4
95.04958	5.0
95.08594	11.3
97.10161	1.0
98.20769	0.8
98.98459	8.8
103.05450	5.0
105.03362	0.9
105.04472	1.2
105.07004	5.0
106.04159	13.6
107.04962	1.4
107.08574	18.1
107.46329	0.6
109.06440	0.7
109.10114	2.5
112.39075	0.6
115.05425	0.9
115.40710	0.6
117.03355	85.2
117.06998	5.0
118.03686	2.1
119.04920	1.4
119.08556	1.7
121.06483	6.9
121.10120	24.6
124.05177	1.4
129.06955	0.8
131.04866	2.3
131.08549	2.8
133.10104	2.9
134.03598	11.7
135.04410	8.9
135.07994	1.4
135.11678	5.5
145.02821	100.0
145.06473	2.4
146.03160	4.0
147.04356	1.1
149.02304	2.3
149.05952	35.5
149.09563	1.0
149.13237	2.2
150.06311	0.6
158.06009	1.7
159.08051	1.1
159.11649	3.9
161.09564	0.6
162.03104	4.2
162.06621	0.9
163.03853	4.1
177.05429	33.2
177.09027	4.5
177.12721	6.6
177.16357	10.5
178.05942	0.6
178.08600	1.6
186.05450	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03923	1.9
55.01855	2.2
61.09443	1.0
63.02363	1.6
65.03920	1.8
67.05481	2.0
68.05006	1.2
69.07042	2.3
71.69114	1.5
73.69801	1.2
77.84229	1.0
78.04681	4.0
79.05470	5.5
81.04509	1.8
81.07052	2.7
83.06082	0.9
85.04005	1.5
87.05575	1.7
89.03902	56.8
91.05466	10.8
93.07022	6.8
95.04937	3.0
95.06039	1.5
95.08578	2.3
96.06861	1.2
98.98446	21.3
103.05455	4.5
105.03397	1.0
105.07023	3.8
106.04167	8.2
107.04957	1.7
107.08578	6.1
109.02836	1.1
109.10192	1.6
116.99459	1.7
117.03356	82.4
117.07005	2.1
118.03674	2.4
119.04887	2.0
119.06022	1.0
119.08545	1.2
120.08102	1.9
121.02813	1.4
121.06483	5.1
121.10129	6.0
122.07069	1.2
124.05163	2.3
130.04938	0.9
131.04893	1.9
131.08546	4.9
132.08044	1.7
133.06488	1.1
134.03619	14.9
135.04379	10.9
135.08064	1.9
135.11679	1.2
136.08661	1.3
137.08321	1.3
137.09453	2.7
145.02821	100.0
146.03294	2.1
149.02361	7.0
149.05962	33.0
149.09538	1.4
158.05927	1.2
159.04448	1.5
159.08003	2.4
159.11644	2.5
160.08684	1.3
162.03125	5.6
163.03848	6.8
170.63560	0.9
177.05440	38.5
177.07721	1.8
177.09038	3.7
177.10258	1.5
177.12663	6.7
177.16342	2.4
178.08591	3.2
178.10867	1.9
186.05481	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.52268	0.4
53.03935	1.1
54.03457	0.7
55.01862	1.0
55.05503	0.5
56.96554	0.8
61.01126	0.8
63.02378	1.2
65.03929	0.9
67.05497	1.0
68.99780	0.8
69.03423	1.0
69.04519	0.5
69.07047	0.9
70.53436	1.5
78.04694	3.4
79.05488	2.0
80.04971	0.4
81.03403	0.7
81.07052	1.2
83.06087	0.5
83.08572	0.5
85.04028	0.6
87.05565	1.4
89.03904	52.4
90.04248	1.2
91.05473	6.5
93.07027	4.4
94.06538	0.6
95.04928	2.1
95.06071	1.4
95.08595	1.3
97.07671	0.6
98.98452	11.5
103.05460	3.3
105.03362	0.7
105.04510	0.7
105.07040	2.2
106.04177	3.5
107.04971	1.2
107.06018	0.5
107.08586	3.4
109.02855	0.6
109.07609	0.9
109.10137	0.6
110.07181	0.6
111.05550	0.5
115.05414	0.7
116.06213	0.7
117.03358	82.0
117.07005	1.7
118.03688	2.3
119.04933	1.3
119.06087	0.4
119.08561	1.1
120.05537	0.4
121.02845	1.8
121.03868	0.4
121.06514	3.5
121.10130	3.9
122.07114	1.0
124.05193	1.3
131.04893	1.5
131.08578	2.0
133.06488	0.9
133.10098	0.8
134.03613	12.2
134.07162	0.9
135.04411	9.2
135.05385	0.2
135.08026	1.5
135.11671	1.4
136.08638	0.7
137.08215	0.5
137.09468	1.3
145.02823	100.0
146.03133	3.2
149.02318	3.8
149.05960	29.3
149.09605	0.9
150.06438	1.2
150.10229	1.0
158.05991	1.6
159.04440	0.5
159.08002	1.0
159.11748	0.9
160.08684	0.5
162.03114	3.3
162.06760	1.2
163.03888	4.1
177.01865	1.1
177.05441	30.8
177.09012	10.2
177.11354	1.8
177.12604	3.0
177.16364	1.4
178.05931	0.8
178.08594	1.7
178.10889	0.8
186.05484	5.1
195.02872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59906	1.1
57.03413	1.8
70.06569	4.3
71.06902	4.6
71.41308	1.2
71.69840	1.9
85.02877	1.7
87.04441	3.6
98.06046	5.5
101.00869	1.5
105.02148	1.3
113.07919	2.7
116.07030	1.6
116.91288	1.3
119.01971	1.9
120.02000	3.3
122.03558	1.3
131.01884	2.8
132.02092	100.0
133.02475	1.9
134.03513	3.3
142.45587	1.2
152.04591	2.2
171.01401	1.3
176.01051	19.8
176.04646	5.0
177.04298	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	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01847	1.9
55.05494	1.2
56.05014	2.0
56.96557	35.7
57.03416	2.3
59.06105	1.0
60.04496	1.2
60.95845	4.5
61.02911	2.6
63.02363	0.9
65.03922	1.1
67.05492	2.8
69.03412	3.4
69.07043	2.4
69.95485	3.8
70.06570	2.4
70.98098	1.3
71.01328	1.3
71.04993	1.2
71.95247	2.9
72.04491	0.9
73.02893	2.4
74.06036	1.3
74.97608	1.0
76.25411	0.8
78.04709	1.2
79.05489	5.2
81.03395	3.3
81.04528	1.3
81.07035	3.8
83.04958	1.0
83.06093	1.3
83.08595	0.9
84.04478	1.4
84.08115	1.1
84.96038	1.1
84.99239	1.2
85.02893	3.9
87.05573	3.1
88.78840	0.8
89.03903	18.2
91.00511	1.3
91.05453	6.4
93.07046	6.9
94.06549	0.9
95.01292	1.0
95.04947	3.8
95.06071	2.0
95.08593	3.3
97.02852	1.9
98.01290	1.5
98.20770	1.1
98.97564	53.3
98.98441	29.6
99.05564	1.2
99.97888	1.3
100.01054	1.0
100.02494	1.1
101.00771	1.0
103.05444	2.8
105.02185	1.4
105.07005	3.0
106.04128	1.9
107.01823	1.4
107.04921	3.2
107.08594	5.9
109.02821	2.9
109.07635	1.6
109.10144	1.4
110.01228	2.3
111.05521	0.9
112.00989	1.6
112.02731	0.9
113.00780	0.8
115.03919	0.9
116.10719	9.3
116.98608	72.5
117.01885	11.0
117.03358	30.3
117.04183	1.4
117.07018	1.6
117.98975	1.1
118.03525	0.9
118.96703	1.6
119.01836	5.7
119.08530	1.0
120.01985	1.4
121.01567	5.3
121.02863	3.6
121.06489	3.0
121.10139	6.1
122.07092	1.0
123.03176	0.9
123.04398	3.7
124.05180	1.0
128.02281	2.8
128.98573	2.1
129.51753	1.1
131.01880	10.8
131.04869	2.4
131.05997	1.7
131.08530	4.5
133.10065	1.8
134.03609	3.5
134.99637	100.0
135.03238	1.7
135.04382	3.3
135.06693	1.1
135.08014	1.9
135.11670	2.0
135.99995	1.2
136.06178	1.5
136.08624	1.6
137.02211	4.2
137.05885	1.4
137.09523	1.2
139.02657	1.0
140.00156	3.7
145.01361	2.3
145.02802	32.8
146.03253	1.6
146.99644	1.9
147.03128	1.2
149.02165	9.2
149.05972	13.6
149.07071	1.5
149.09630	1.0
149.13297	1.0
150.05472	1.1
150.33014	0.8
153.00676	22.6
153.04236	1.1
153.99965	1.1
154.03439	5.6
154.94165	2.8
157.03464	0.9
158.01236	9.9
159.04369	1.6
159.07959	1.5
159.11678	2.2
160.06088	0.8
161.01181	1.3
162.03056	3.0
162.99133	1.8
163.04056	1.1
164.02344	0.9
165.00682	1.5
165.04266	0.8
172.04530	1.7
172.95224	8.3
173.01161	1.5
173.02841	1.5
176.02328	1.3
177.00636	3.6
177.02037	1.7
177.04164	1.7
177.05396	16.6
177.06549	2.0
177.07718	1.6
177.08855	5.6
177.11380	1.8
177.12714	5.7
177.16389	2.8
178.05008	1.8
178.07251	1.1
178.08627	3.4
181.00200	1.5
186.05568	1.9
189.15121	0.8
190.96306	4.7
195.01672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03929	1.6
55.01853	1.1
55.05499	8.0
56.96547	0.8
57.03417	0.9
57.07056	1.8
57.34880	0.8
58.16782	0.8
62.86133	0.9
65.03938	1.2
67.05494	6.1
69.03407	2.5
69.07059	16.2
70.06579	5.4
71.08628	1.2
71.69991	1.3
79.05487	7.6
81.03376	1.0
81.07043	29.1
83.04960	1.8
83.08594	2.9
83.09066	0.8
85.02906	1.0
91.05468	27.6
93.07027	10.9
95.04934	1.6
95.08003	1.3
95.08590	20.4
97.02852	3.4
98.03662	1.7
98.98450	100.0
99.08095	1.1
103.05441	3.6
104.06250	1.1
105.07014	52.0
106.02897	2.7
106.07302	1.5
107.04950	1.9
107.06042	0.9
107.08573	11.4
111.04395	1.9
115.03913	1.1
115.05418	8.3
116.06274	0.9
116.07073	1.0
116.99477	3.3
117.07007	8.4
119.04900	2.3
119.08561	96.4
120.08103	1.3
120.08820	1.5
121.06487	1.6
121.10135	2.1
128.06192	2.2
129.05452	1.0
129.06975	7.7
130.06490	1.5
130.07564	1.0
131.04887	1.2
131.08539	11.1
132.05681	4.1
132.09357	1.2
132.95784	0.8
133.06421	3.1
133.10107	93.6
134.07120	1.4
134.10442	2.9
135.07915	1.7
140.01114	1.0
142.07764	3.3
143.04907	2.2
144.05644	1.6
145.06480	2.1
145.10114	6.0
146.07159	1.0
146.10860	3.1
147.04370	3.5
147.05453	1.1
147.08043	5.1
147.08995	0.9
147.10579	1.3
147.11664	15.8
148.08652	1.6
149.01772	0.8
151.93810	0.8
157.06433	1.6
157.10092	5.6
158.06041	1.2
160.05199	10.2
160.08768	2.2
160.12442	2.9
173.13245	1.9
175.03842	2.5
175.06056	1.1
175.07478	18.0
175.09752	7.0
175.11174	15.2
175.14793	75.6
176.07065	3.0
176.15085	2.8
177.10207	1.9
179.91481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03919	1.7
55.05501	9.6
66.70084	0.8
67.05497	6.0
67.43434	0.9
69.07059	17.8
70.07375	0.7
72.97083	0.8
79.05470	6.6
81.07045	20.8
83.08613	5.1
91.05465	23.7
93.07029	10.1
93.84868	0.7
95.04938	1.7
95.08591	11.7
97.02873	1.1
98.98450	43.0
103.05455	2.0
105.07014	48.9
106.07327	0.8
107.08578	11.8
109.10144	0.9
111.04505	1.0
115.05461	1.1
117.06996	4.2
119.08562	98.9
120.08910	2.9
121.10085	2.3
129.06984	3.0
131.08554	10.8
132.09254	0.9
133.06476	2.6
133.10109	91.5
134.10422	1.9
142.07744	1.6
145.10112	8.1
146.10876	1.6
147.04359	1.4
147.08029	2.1
147.11659	22.2
148.11995	1.1
157.10130	4.5
158.10870	0.8
159.11650	2.6
160.12434	4.3
173.13245	2.0
175.03845	1.3
175.07423	1.1
175.11195	15.2
175.14798	100.0
176.07010	3.1
176.15150	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	0.5
53.86922	0.3
55.05497	5.3
57.07064	1.3
59.73274	0.4
65.03925	0.5
67.05489	2.0
68.30254	0.4
69.07054	13.0
70.56145	1.0
71.29887	0.5
73.36909	0.5
77.03886	0.5
79.05476	2.8
81.07037	5.9
83.05003	0.4
83.08601	2.0
83.56867	0.4
91.05458	11.8
93.07027	4.1
95.04952	0.8
95.08598	4.8
98.98447	19.3
103.05449	1.1
105.07008	26.3
106.07343	0.5
107.08569	5.5
108.87070	0.4
115.05419	0.7
116.99526	0.7
117.06990	4.9
119.08557	68.3
120.08791	1.9
121.10119	2.4
129.06999	1.8
131.08536	4.8
132.09311	0.5
133.10103	70.5
134.10359	2.4
135.11653	1.1
142.07785	1.4
144.09319	1.8
145.10103	14.2
146.10811	1.0
147.11653	30.3
148.12071	1.0
157.10101	1.5
159.11641	5.7
160.12442	9.8
161.13226	1.9
173.13240	2.0
175.11186	2.9
175.14786	100.0
175.31598	0.4
176.07056	1.0
176.15173	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	175.1115
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.95419	0.7
51.09903	0.6
55.01878	0.9
55.05496	2.2
57.03429	100.0
58.03763	1.4
65.03922	0.8
67.05487	2.4
69.03429	1.3
69.07056	1.6
70.06571	2.4
71.04980	0.7
71.10128	1.7
74.62359	0.6
79.05486	3.9
81.07031	2.2
83.04961	1.2
85.02874	1.0
91.05466	19.3
93.07027	2.5
93.88242	0.7
95.04953	1.7
95.08591	1.5
97.02882	1.9
98.03664	0.9
98.98453	75.2
103.05439	1.2
104.06255	0.8
105.07018	13.3
107.04916	1.9
107.06091	0.7
107.08537	0.8
111.04443	0.9
115.03942	0.9
115.05417	4.3
116.07043	0.8
116.99447	1.9
117.07009	7.2
119.04908	2.2
119.08563	79.1
120.08922	2.0
121.06456	1.2
128.06213	1.6
129.06955	4.8
130.06483	0.9
131.04886	1.5
131.08505	3.3
132.05690	1.7
133.06448	2.5
133.10101	12.7
139.03853	0.8
140.01135	2.4
142.07785	3.5
145.06435	2.2
145.10078	1.3
146.07234	4.8
147.04362	2.8
147.08032	11.5
147.11649	6.1
148.07501	1.6
149.01753	1.5
151.93787	0.8
152.84659	0.7
157.07655	0.7
157.10065	3.2
160.05176	4.1
160.08762	2.5
175.03827	2.4
175.07462	9.8
175.08650	1.4
175.11147	46.6
175.14784	10.5
176.06999	2.6
176.11549	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.95946	0.5
55.01862	0.9
55.05497	1.5
56.95640	0.7
56.96556	3.6
57.03428	100.0
57.40703	0.7
58.03759	1.2
60.31380	0.8
67.05491	2.9
69.03423	1.0
69.07059	1.2
69.92896	5.0
70.06583	1.4
75.23367	0.7
79.05486	3.0
81.03416	0.7
81.07042	4.6
91.05466	18.6
93.07024	3.3
95.04939	1.4
95.08595	1.5
97.02837	1.3
98.25751	0.8
98.98451	39.5
103.05470	1.3
105.07008	12.2
106.37197	0.7
107.08604	1.6
115.05451	1.5
116.99467	1.0
117.06992	5.0
119.08563	53.3
129.06947	4.5
129.92989	0.7
131.08524	3.9
133.06490	2.8
133.10097	9.6
140.01091	1.0
142.07777	3.8
143.05388	0.9
145.10138	1.2
146.07292	1.2
147.04437	0.7
147.07986	4.3
147.11641	5.6
152.05927	1.7
157.10133	5.4
160.08888	1.5
175.07558	1.5
175.11160	38.9
175.14761	7.0
176.07083	0.8
176.11478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03928	0.7
55.01859	2.3
55.05498	2.8
57.03416	1.2
60.05621	1.0
62.76062	0.6
65.03925	0.9
67.05489	3.0
69.03406	1.9
69.07053	4.8
70.06593	3.8
70.06899	0.7
71.04948	0.7
71.08641	0.9
72.08136	1.1
77.03916	0.5
78.04711	2.8
79.05494	5.7
80.99557	0.6
81.03386	0.7
81.07047	8.0
83.04970	1.0
83.08604	0.7
89.03899	1.5
91.05467	39.7
92.05788	1.3
93.07031	4.7
95.04947	2.0
95.08592	6.8
97.02886	3.2
98.03666	0.8
98.98454	73.3
103.05455	4.5
104.06234	17.5
104.06918	1.0
105.03362	1.7
105.07026	17.8
106.02896	1.6
107.04944	6.8
107.08604	2.8
110.12404	0.6
111.04358	0.9
115.05439	47.4
116.06207	2.4
116.07001	1.1
116.99476	3.5
117.06168	1.2
117.07002	20.6
118.06516	1.2
119.04910	2.5
119.08562	57.1
120.04385	0.7
120.08049	0.8
120.08868	1.6
121.06458	0.9
121.10139	0.9
125.02306	0.8
127.05409	0.9
128.06201	10.5
129.06978	15.5
130.07286	0.9
131.04933	7.1
131.08545	4.7
132.05695	39.0
132.95827	0.8
133.06540	1.7
133.10109	42.7
134.04274	0.6
134.07094	1.1
134.10442	1.0
135.07938	0.9
142.07715	2.8
143.04912	7.8
144.05736	4.0
145.06445	6.1
145.10083	2.5
146.07166	1.6
147.04396	3.2
147.08028	36.4
147.11668	6.7
148.08554	1.5
151.93692	0.7
155.05945	1.2
156.13835	1.3
157.06502	2.0
157.10085	2.8
159.39932	0.6
160.05177	53.3
160.12433	1.2
161.05556	2.0
165.05447	4.2
175.03987	5.5
175.07518	100.0
175.11000	9.7
175.14803	29.0
176.03487	0.6
176.06740	0.7
176.07841	3.2
176.10635	1.3
176.14220	4.5
177.10204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02364	0.7
53.03928	0.7
55.01859	2.3
55.05498	2.8
57.03416	1.2
60.05621	1.0
62.76062	0.6
65.03925	0.9
67.05489	3.0
69.03406	1.9
69.07053	4.8
70.06593	3.8
70.06899	0.7
71.04948	0.7
71.08641	0.9
72.08136	1.1
77.03916	0.5
78.04711	2.8
79.05494	5.7
80.99557	0.6
81.03386	0.7
81.07047	8.0
83.04970	1.0
83.08604	0.7
89.03899	1.5
91.05467	39.7
92.05788	1.3
93.07031	4.7
95.04947	2.0
95.08592	6.8
97.02886	3.2
98.03666	0.8
98.98454	73.3
103.05455	4.5
104.06234	17.5
104.06918	1.0
105.03362	1.7
105.07026	17.8
106.02896	1.6
107.04944	6.8
107.08604	2.8
110.12404	0.6
111.04358	0.9
115.05439	47.4
116.06207	2.4
116.07001	1.1
116.99476	3.5
117.06168	1.2
117.07002	20.6
118.06516	1.2
119.04910	2.5
119.08562	57.1
120.04385	0.7
120.08049	0.8
120.08868	1.6
121.06458	0.9
121.10139	0.9
125.02306	0.8
127.05409	0.9
128.06201	10.5
129.06978	15.5
130.07286	0.9
131.04933	7.1
131.08545	4.7
132.05695	39.0
132.95827	0.8
133.06540	1.7
133.10109	42.7
134.04274	0.6
134.07094	1.1
134.10442	1.0
135.07938	0.9
142.07715	2.8
143.04912	7.8
144.05736	4.0
145.06445	6.1
145.10083	2.5
146.07166	1.6
147.04396	3.2
147.08028	36.4
147.11668	6.7
148.08554	1.5
151.93692	0.7
155.05945	1.2
156.13835	1.3
157.06502	2.0
157.10085	2.8
159.39932	0.6
160.05177	53.3
160.12433	1.2
161.05556	2.0
165.05447	4.2
175.03987	5.5
175.07518	100.0
175.11000	9.7
175.14803	29.0
176.03487	0.6
176.06740	0.7
176.07841	3.2
176.10635	1.3
176.14220	4.5
177.10204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98795	0.5
55.05482	0.8
56.05014	0.8
56.96546	2.3
57.03417	0.9
58.99850	1.1
69.03429	0.5
71.67754	0.5
73.06537	1.7
77.00889	1.6
81.07056	0.7
85.01376	3.4
88.51704	0.7
90.16663	0.5
91.05478	1.7
97.02822	0.7
97.60579	0.5
98.97569	1.9
98.98454	17.9
100.00649	0.5
100.02469	1.4
101.00854	6.1
101.02505	0.6
102.00996	0.8
103.00600	0.6
103.02430	21.8
104.02541	0.6
105.07015	1.6
105.90981	0.5
110.06080	0.5
114.13753	0.4
115.02422	5.0
115.04092	0.5
116.01891	2.6
116.98595	3.5
116.99383	0.9
117.06998	0.6
118.03497	4.6
119.01902	59.9
119.08577	1.8
120.02004	6.5
121.01641	9.2
121.03465	17.1
122.03562	0.7
126.01489	0.6
126.03979	1.1
127.02389	0.7
128.49490	0.8
131.01880	1.5
131.08566	0.9
132.05022	0.7
133.03450	62.5
133.04962	5.5
133.10120	1.3
134.02954	20.5
134.04797	2.3
134.99657	4.6
135.05014	0.9
135.07899	0.5
136.04529	2.8
137.02937	28.3
137.50003	4.6
138.00058	1.5
138.03035	3.5
138.49854	1.0
139.02608	3.3
139.03584	0.6
140.00282	1.7
140.01288	1.0
140.50323	0.6
142.03467	3.3
144.05067	0.7
145.03444	15.4
147.08040	0.7
147.11664	0.7
148.03824	0.8
149.00790	6.6
149.01810	1.7
149.02797	0.6
149.50877	1.3
150.00723	2.3
150.06100	0.8
151.02567	2.1
151.04497	29.6
151.06192	3.6
152.02188	1.1
152.03894	4.1
152.05901	1.2
152.96823	0.6
153.00670	1.2
156.05016	3.5
157.03424	4.3
157.04659	2.9
158.01248	0.9
158.02953	1.2
160.04510	1.9
160.52591	1.0
161.04729	0.7
163.04510	8.7
166.04947	0.8
168.05020	1.4
169.03548	0.6
170.03162	1.1
171.01381	6.4
171.04997	1.5
174.06055	1.2
175.04515	100.0
175.06187	16.0
175.14769	1.5
176.02403	1.0
176.04446	4.4
176.05936	1.6
176.07169	0.8
188.04007	1.0
189.02432	2.2
192.80438	0.6
192.98709	0.6
193.05550	3.7
193.07358	4.8
194.03125	1.0
194.05116	1.2
194.06892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.02358	1.0
53.03930	1.8
55.01847	1.9
55.05493	2.0
56.05027	5.5
56.05828	2.0
57.03203	1.3
57.03428	14.2
57.07071	14.0
58.06580	4.2
60.04515	45.0
61.02911	2.0
61.14835	1.0
62.06083	16.3
65.03921	1.2
67.05474	1.8
68.05028	8.3
69.03420	18.3
69.07048	4.2
70.06565	2.6
70.88830	3.2
70.95831	1.4
71.08624	12.7
72.08133	1.3
72.93764	2.2
75.20351	1.0
79.05470	2.0
81.07036	4.8
82.06561	1.9
83.04947	3.3
84.04491	34.7
84.05303	2.9
85.02898	13.1
86.06024	3.8
86.09682	1.2
90.94804	1.2
91.05477	10.3
93.07024	2.3
94.37709	1.1
95.04930	1.4
95.08582	2.4
96.04476	15.5
97.02878	100.0
98.03184	1.4
98.06005	1.3
98.98450	63.8
102.05534	9.7
102.06181	2.1
105.07022	11.6
107.04929	1.0
107.08548	1.3
111.04423	2.3
112.04727	2.4
114.05515	37.9
114.06319	1.9
115.03933	10.9
115.05429	3.8
117.07005	2.9
118.06538	2.7
118.07324	1.2
119.04935	1.7
119.08559	27.0
122.52306	1.3
128.07039	3.0
129.05412	1.2
129.06989	2.7
130.05746	2.1
131.04855	1.8
131.08540	3.3
132.05681	2.4
132.06538	4.2
132.08051	5.2
132.08917	2.6
132.95824	3.5
133.10098	25.2
138.05507	2.2
140.01102	1.1
145.10097	1.7
146.05978	4.1
146.08086	3.6
146.10521	2.6
147.04364	2.5
147.08017	2.5
147.11667	3.6
150.96843	4.8
156.06393	2.3
156.07483	2.3
156.17476	10.6
157.10129	2.7
159.06749	1.2
159.11690	1.3
160.05171	5.3
174.05382	3.3
174.07587	72.2
174.12566	8.2
174.18509	80.9
175.03818	2.0
175.07526	11.4
175.11125	6.6
175.14798	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	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15420	0.3
54.34378	0.3
55.05484	0.7
56.05016	0.4
56.05831	0.5
57.03429	0.9
58.06590	34.2
59.04988	0.7
60.04520	0.7
67.05483	0.3
67.69466	0.4
69.03404	0.4
69.07074	0.4
70.06580	0.5
70.95866	0.3
71.08620	27.3
71.21205	0.9
72.08159	0.3
72.08969	0.5
72.93786	0.8
75.78992	0.4
76.02270	0.3
76.07632	100.0
77.07957	0.8
81.07040	1.0
81.63862	0.3
83.04961	0.4
83.33429	0.3
84.04503	0.8
84.05306	0.6
85.02919	0.5
86.25405	0.3
88.29724	0.3
91.05490	1.3
96.04461	0.7
97.02888	1.2
98.97806	0.7
98.98454	11.3
99.08080	16.9
100.07590	0.4
100.08415	0.3
102.05569	0.6
105.07025	0.7
110.05963	0.4
111.98474	0.5
114.05525	1.0
115.03926	0.4
115.05455	0.8
116.99484	0.4
117.07068	0.4
118.06606	0.4
119.08575	2.3
126.09588	0.3
128.07076	0.8
128.10703	0.4
129.06978	0.7
130.20689	0.3
131.08511	0.6
132.05682	0.7
132.08055	0.6
132.95880	0.6
133.10123	1.8
135.07874	0.4
143.04897	0.5
145.06468	0.4
146.06013	0.9
146.08104	0.4
147.08095	0.8
147.11650	0.4
149.01743	0.5
150.96880	1.5
156.07416	0.5
156.13824	8.3
157.12234	7.2
158.76138	0.3
160.05209	1.0
173.98445	0.5
174.05530	0.8
174.07610	1.1
174.08974	0.5
174.12805	1.3
174.14844	2.7
175.07426	2.4
175.11145	1.1
175.14853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03930	1.1
55.01864	1.2
55.05503	1.9
56.05021	3.6
56.05850	0.8
57.03430	12.6
58.06587	0.9
58.99587	0.5
59.06109	0.9
60.04516	46.1
61.02920	1.2
61.84983	0.4
65.37907	0.4
65.42335	0.5
68.05019	5.5
69.03419	17.3
69.07058	1.0
70.06581	1.5
70.95853	0.7
71.10153	0.9
72.04494	1.3
72.08153	0.5
72.93771	1.4
73.33990	0.5
74.06096	0.7
82.06583	0.9
83.04961	1.6
83.06102	0.7
84.04491	35.9
85.02891	13.6
85.04823	0.7
86.03233	0.6
86.06062	4.9
86.09705	1.2
87.04453	1.0
87.05573	1.0
90.94834	0.6
91.03937	1.4
91.05463	5.8
96.04482	14.1
97.02879	100.0
98.03205	1.4
98.06042	1.4
98.98452	22.4
100.03964	1.6
100.07616	0.8
102.05533	8.7
102.06255	0.9
103.09595	0.5
105.03373	0.7
105.07016	1.7
108.95853	0.7
111.04419	0.6
111.07949	0.5
111.98400	0.7
112.04774	1.1
112.07596	0.7
114.05514	36.8
115.03909	7.8
115.05396	1.5
116.99442	0.7
117.06992	1.6
118.06512	1.0
119.08566	2.6
122.77209	0.5
127.03921	0.5
128.06189	1.0
128.07047	2.2
129.06970	3.5
130.05750	1.3
131.08545	1.0
131.96143	0.9
132.06570	4.3
132.08032	1.0
132.95828	2.2
133.10112	1.6
138.05508	1.5
145.06447	1.7
146.05988	1.4
146.08109	1.1
147.09155	0.5
150.96899	4.7
151.23749	0.5
155.97400	1.0
156.06503	1.5
159.07985	2.0
160.05194	2.7
160.08763	0.6
167.56798	0.5
173.98531	1.1
174.07594	77.8
174.12526	3.6
175.03845	0.9
175.07594	5.1
175.11182	1.6
175.14743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05502	5.3
57.03415	0.6
57.07064	1.9
59.04988	0.9
67.05494	4.1
68.08457	0.5
71.70191	0.4
79.05486	3.3
81.03391	0.9
81.07044	3.5
83.04967	4.7
85.02917	0.5
91.05466	18.2
92.05814	0.5
93.07018	2.3
95.08604	1.4
101.06021	3.6
103.03256	0.9
103.05471	0.5
105.07021	14.3
107.08582	1.0
111.04432	6.0
113.06018	0.7
115.05437	2.8
116.06233	3.8
117.07008	13.8
119.08561	12.7
127.07524	0.7
128.06184	2.5
129.05559	2.2
129.06987	12.2
129.07950	0.6
130.07779	4.5
131.08545	99.2
132.08858	2.8
133.10103	2.0
142.07750	0.7
143.08536	16.6
144.09323	7.8
145.06441	0.9
145.10101	31.6
146.10460	1.1
155.07028	3.5
155.08272	0.6
156.09329	1.1
157.10127	1.2
158.07321	1.1
158.10892	21.5
171.11664	2.1
173.08276	6.1
173.09705	2.8
173.13235	100.0
174.13631	3.7
190.07721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.40267	0.4
53.03951	0.6
53.78525	0.5
55.05499	5.0
57.07060	1.7
59.04993	1.1
65.03943	0.5
67.05490	3.0
71.08325	0.9
71.08658	1.0
76.02235	0.5
79.05481	4.2
81.03383	0.5
81.07056	3.5
83.04970	4.5
91.05465	17.0
93.07025	3.9
95.08607	1.1
96.04446	0.5
99.04414	0.6
99.08074	0.6
101.05995	2.7
103.03284	0.8
103.05473	0.9
105.07008	11.7
107.08597	1.2
111.04426	4.4
115.05429	1.9
116.06217	2.5
117.06997	17.1
119.08562	5.4
128.06210	0.7
129.05458	1.7
129.06978	7.2
130.07779	3.7
131.08542	100.0
132.08830	3.6
143.08534	3.4
144.09312	2.8
145.06506	0.9
145.10100	22.0
146.10512	0.7
146.16296	0.5
155.07022	3.4
155.08450	1.0
158.07231	1.2
158.10905	5.5
171.11673	2.0
173.08353	3.9
173.09906	2.7
173.13232	69.0
174.13618	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03935	0.5
55.05503	7.6
57.03434	5.2
57.07075	0.8
59.05000	1.8
65.03917	0.5
67.05489	2.3
69.03421	0.4
71.04985	0.5
71.08608	8.4
72.93784	1.2
75.04467	0.5
76.02227	0.6
79.05491	1.7
81.03397	0.7
81.07041	2.8
83.04968	7.5
85.06536	0.5
87.04449	1.2
88.07609	1.1
89.02383	0.8
89.06024	0.8
89.07941	0.7
90.94810	0.8
91.05465	12.9
93.07040	0.9
95.08586	0.8
99.04424	0.4
99.08081	4.5
101.06008	4.7
103.03283	1.3
103.05457	1.0
105.07011	12.4
107.08563	0.6
108.70705	0.4
108.95776	0.5
111.04430	7.4
113.06024	0.6
114.05499	0.5
115.05406	2.8
116.06205	3.3
117.07004	7.4
117.09126	2.0
118.06531	0.5
119.08562	12.5
119.09415	0.8
127.07517	1.0
127.09523	0.4
128.06194	2.0
128.07040	1.0
129.05516	3.7
129.06976	9.4
130.07773	3.1
131.08548	85.8
132.08856	2.2
133.10095	2.5
142.07768	1.5
143.08543	25.4
144.09337	9.0
145.06427	1.2
145.10107	27.5
146.10455	0.9
155.07010	5.0
155.08521	1.2
156.09319	1.8
157.10130	1.7
158.07266	1.3
158.10892	38.7
159.11647	2.4
161.75670	0.4
171.11649	2.4
173.08145	6.5
173.09634	5.6
173.13232	100.0
173.17252	4.1
174.13646	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	173.117
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.05503	28.8
56.96557	1.3
57.03428	59.8
57.07056	1.5
58.06576	1.0
59.04981	6.6
67.05496	2.4
68.04993	1.3
69.03422	2.0
69.07063	1.8
69.60932	7.1
71.05003	2.5
71.06137	0.9
71.08620	100.0
72.04528	1.0
72.08920	1.0
72.93777	3.4
73.02921	1.1
75.04465	7.0
76.02209	2.0
79.05489	1.8
81.03390	1.9
81.07043	4.0
83.04964	24.6
84.04483	1.0
87.04454	7.7
89.02380	1.5
89.06018	16.3
90.90334	0.9
90.94817	2.5
91.05463	5.5
92.02501	1.0
95.04921	0.9
96.04487	1.5
98.21519	1.5
98.98446	1.1
99.04456	1.8
99.08080	53.5
100.08418	1.1
101.06003	16.8
103.03263	2.6
104.65305	0.9
105.07005	4.2
111.04432	23.4
113.05983	3.6
113.96397	1.3
114.05492	2.7
115.03904	2.0
115.05435	1.7
117.07015	8.1
117.09111	30.6
119.08569	2.2
127.07545	4.3
128.06157	1.1
128.07042	1.9
129.05447	13.9
129.06992	2.8
130.07765	1.5
131.04880	1.0
131.08543	27.2
135.10112	1.1
143.08553	2.9
145.06470	2.9
145.10074	11.1
146.05925	1.3
147.06509	0.9
149.94118	1.0
149.96124	1.1
154.47025	0.9
155.05856	1.4
155.07027	20.7
155.08318	2.0
156.13802	2.8
158.07259	1.4
158.10818	5.4
158.48523	1.0
173.04466	1.8
173.05894	1.8
173.06563	1.5
173.08171	25.0
173.09668	5.3
173.11714	26.9
173.13248	22.6
174.05507	1.8
174.12755	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	173.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25720	0.6
53.00303	1.0
53.03921	0.9
55.01867	1.4
55.05500	27.8
55.54159	0.6
56.05850	0.9
57.03425	59.8
57.07059	1.3
58.52473	0.6
59.04978	6.4
62.92351	0.7
63.61458	0.6
67.05489	2.3
69.03401	1.0
69.07056	1.5
71.04982	3.2
71.06100	1.2
71.08617	100.0
71.70470	1.6
72.08946	1.0
72.93773	2.6
73.02892	1.0
75.04468	7.1
76.02216	1.6
79.05477	1.3
81.03398	1.7
81.07040	4.2
82.05575	0.6
83.04967	23.6
83.05469	1.2
84.04478	0.9
84.23439	0.7
87.04453	7.4
87.22436	0.6
89.02388	1.8
89.06013	13.7
90.90384	1.3
90.94816	1.6
91.05447	4.5
99.04436	2.0
99.08074	55.3
100.07582	0.7
100.08414	1.0
101.06001	19.0
101.90204	0.8
103.03287	4.7
105.03334	0.8
105.07022	4.7
111.04424	19.2
111.05159	1.3
113.05984	3.9
114.05519	2.2
115.03883	0.8
115.05414	1.6
117.06999	6.4
117.09113	25.6
118.06482	1.0
119.08570	1.8
120.38531	0.7
127.07556	3.0
127.18865	0.7
128.07060	1.8
129.05460	15.4
129.07005	3.0
131.08537	19.0
132.08038	1.3
135.10170	1.4
137.06001	0.8
140.14502	0.7
143.08542	3.7
145.06505	2.4
145.10075	8.6
146.05972	1.2
149.94026	1.3
149.96049	1.0
151.94940	0.8
155.07011	17.5
155.08342	1.5
156.13843	0.9
158.07310	1.5
158.10915	2.7
158.11983	0.9
173.04547	1.1
173.05936	1.4
173.08223	23.6
173.09697	4.1
173.11752	25.8
173.13275	20.4
174.05440	1.2
174.07657	0.9
174.12793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1165
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03933	0.6
55.01853	1.0
55.05503	9.1
56.05038	0.5
57.03430	0.6
57.07062	0.4
59.05000	0.4
65.03925	0.5
67.05503	2.0
69.03425	0.8
69.07055	2.1
71.08618	0.4
71.70454	0.7
72.04504	9.9
73.02896	0.6
74.06059	0.5
74.77578	0.4
79.05484	2.8
81.07033	0.7
83.04967	0.8
83.08598	3.8
84.04465	0.5
87.04462	0.4
89.06624	0.6
89.07140	8.0
91.05464	9.9
92.05827	0.4
93.07020	1.8
94.81113	0.4
97.10146	1.2
98.06052	0.5
100.07604	0.4
103.05452	0.7
105.07011	3.6
107.08575	0.5
110.01238	0.4
111.04418	1.0
115.05437	4.4
115.93818	0.3
117.06166	0.5
117.06994	7.4
123.04366	0.3
125.05962	0.8
125.09606	0.4
126.09129	0.8
127.03925	0.4
127.05465	0.3
128.06203	14.6
128.69820	0.3
129.06981	70.6
130.07707	3.2
131.08560	3.3
141.06963	2.9
142.07761	3.8
143.08536	39.3
144.08893	1.2
145.06438	1.2
153.05453	0.6
155.05994	0.9
155.08530	1.2
156.09328	9.3
157.01291	0.6
169.10133	1.9
171.11661	100.0
172.07607	0.6
172.09698	0.5
172.12045	4.3
172.16896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03945	0.7
55.01862	3.1
55.05502	3.8
56.96544	0.5
58.06603	0.6
59.06116	0.3
62.40133	0.3
65.03931	27.9
66.04253	0.7
67.05489	2.1
68.02617	0.3
68.05020	0.6
68.99778	9.7
69.00140	0.7
69.03428	1.7
69.07050	1.4
69.92677	1.9
70.06590	0.4
71.01328	0.4
71.04979	0.4
72.04507	3.4
72.08147	0.8
72.93777	0.5
79.01830	1.3
79.05519	0.3
81.03408	3.9
83.01323	0.7
83.04967	12.5
83.06049	0.4
83.08607	0.8
84.04475	0.4
85.02901	0.3
89.07140	2.0
93.03396	6.3
95.04951	0.7
95.06109	0.3
96.02093	1.0
97.02885	1.7
97.06503	0.7
100.07586	1.2
107.08539	0.3
109.02885	0.6
110.03629	0.6
110.45814	0.3
111.04425	95.8
111.09184	0.5
112.04719	1.9
119.01913	0.7
121.02869	1.6
121.03970	6.3
125.07166	0.4
126.09143	0.6
127.03884	0.6
128.06194	0.4
134.06004	0.4
137.51382	0.3
139.00270	1.3
139.03877	100.0
140.04205	2.4
142.03334	0.4
147.90877	0.3
147.96854	1.2
154.12236	2.0
156.03763	0.6
157.01312	2.0
165.97968	0.6
171.02811	0.8
171.06569	4.9
171.11328	0.4
171.14912	2.5
192.18669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.5
55.05493	3.8
56.05002	1.4
56.96556	43.4
57.03424	4.3
57.04527	1.5
58.06580	2.6
58.29948	1.2
58.99854	3.5
60.01368	2.4
60.95832	2.2
61.02905	3.7
66.50617	1.3
68.99776	7.7
69.01894	5.5
69.07037	5.9
70.06579	1.6
70.98094	5.3
70.99841	2.5
71.01319	1.4
71.02097	1.1
71.04976	1.3
71.68613	1.3
71.69013	1.4
71.95253	2.1
72.04509	7.8
72.08136	10.0
73.02898	1.7
75.04471	2.6
76.02679	7.2
77.00883	5.0
78.02448	1.4
79.05467	1.7
80.52696	1.5
81.01898	2.8
81.07027	2.2
82.01427	4.6
82.24983	1.2
82.99832	2.0
83.01318	2.2
83.04993	1.3
83.06065	2.5
84.08110	3.3
84.96033	2.0
84.99250	6.8
85.02871	3.2
85.51894	2.8
86.52697	1.6
88.99168	2.2
89.00888	1.6
89.02368	2.2
89.07139	4.2
90.02391	3.3
91.02442	2.7
94.00866	1.5
95.01624	5.3
96.02370	2.3
96.08085	2.3
97.06513	1.6
98.06047	1.5
98.09682	1.7
98.97569	20.1
100.00833	1.8
100.02473	14.4
100.07582	4.5
101.00866	28.4
101.02503	1.6
101.53152	1.9
102.00923	3.5
103.00662	2.1
103.01331	3.2
103.02419	3.9
104.02104	6.7
104.52240	1.6
105.51651	1.7
106.52407	1.5
108.08131	1.6
109.00545	2.4
109.01341	46.4
109.51430	8.2
109.52932	5.2
110.01252	1.3
110.02156	2.6
110.07157	2.1
110.97496	3.5
112.07630	1.9
113.00824	2.0
114.04010	3.4
114.52141	7.0
114.69790	1.2
115.02406	7.0
115.03066	1.3
116.02119	4.1
116.98605	17.2
117.01857	3.0
117.02927	1.3
118.01027	3.4
118.01863	61.9
118.03475	8.2
118.51262	1.9
118.51962	10.9
119.01897	100.0
119.02645	6.7
120.00713	2.1
120.01963	8.4
120.52140	8.7
121.01585	7.1
121.03483	2.0
121.52904	13.4
122.03010	1.9
123.04023	1.5
123.52652	2.8
124.02483	2.4
125.02647	14.1
125.10738	16.5
125.52777	1.7
126.09140	2.6
127.01511	12.8
127.02399	4.0
127.51692	8.8
128.98587	5.7
129.01814	5.0
129.52655	7.3
130.02132	2.6
130.53429	24.2
131.00146	1.4
131.01862	6.0
131.03537	6.1
132.05038	4.1
133.01544	2.8
133.03438	19.7
134.99608	13.0
136.52254	2.3
136.53397	2.2
137.02913	19.6
138.53165	3.3
139.00235	27.1
139.02577	2.2
139.03909	1.9
142.03427	9.4
143.01820	1.5
143.03435	2.3
144.05074	2.5
145.01663	1.5
145.03444	2.5
146.99602	6.0
147.01346	3.4
147.04971	3.6
148.01439	2.0
149.01175	2.6
149.03795	7.4
151.04472	3.1
153.00719	2.9
153.07442	2.3
154.12242	10.8
156.51836	1.3
157.01305	21.8
159.53554	1.5
160.04492	3.1
161.02885	6.1
163.04532	2.3
166.00174	1.3
171.01328	3.2
171.02914	4.6
171.11234	6.5
171.14867	7.4
172.04474	1.8
172.13327	1.4
175.00851	7.5
177.02443	2.3
179.03923	1.6
184.04486	1.6
189.00754	1.7
189.02368	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	168.998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00345	0.2
55.01855	0.6
55.05502	0.2
56.96556	3.0
57.03431	0.7
58.99852	3.1
59.99937	0.2
61.02903	0.5
65.03927	0.9
67.05472	0.3
68.04980	0.2
68.98275	0.2
68.99796	0.2
69.03419	0.8
69.07062	0.2
70.06598	0.2
70.99849	1.8
71.01325	0.2
71.05022	0.5
73.02906	0.8
74.97588	0.1
75.01029	0.1
77.00895	5.6
77.01339	0.3
78.00961	0.5
79.00615	0.2
79.05461	0.3
81.03394	0.7
81.07023	0.5
82.01424	0.5
82.99785	0.7
83.01519	0.2
83.04976	0.3
83.06096	0.2
84.01559	0.7
85.01383	0.5
85.02876	0.8
86.52670	0.2
86.99323	0.4
88.02670	0.4
89.00868	1.4
91.02422	0.3
93.02065	0.4
93.07011	0.3
95.01357	0.3
95.01917	2.1
95.04963	0.3
95.06072	0.3
95.08587	0.3
96.01544	0.2
96.06863	1.3
97.02872	0.4
97.06525	0.2
97.07650	0.5
98.97559	0.4
99.04437	0.3
99.08134	0.2
100.02455	2.5
101.00862	17.3
101.02538	1.9
102.00962	0.6
102.02241	0.9
103.00600	0.3
103.02429	3.7
103.03114	0.2
105.00344	0.7
105.02158	0.2
107.00126	0.2
107.01898	0.4
109.02850	1.3
109.06504	0.3
109.07637	1.1
110.02302	0.2
110.97547	0.2
111.00784	0.6
111.02087	0.2
111.02900	0.2
111.04423	0.8
113.00909	0.2
115.02384	0.5
116.98589	0.3
118.01104	0.3
118.03510	2.0
119.01900	100.0
120.01970	5.3
120.03326	0.5
120.53583	0.2
121.01620	1.6
121.02483	0.3
121.03459	2.6
122.02183	0.2
123.01349	0.3
123.02123	0.3
123.04419	0.4
123.11697	0.3
124.02433	0.8
124.07586	0.3
124.08651	0.3
126.03108	1.0
126.03972	0.3
126.10292	0.2
126.98748	1.1
127.02408	0.4
127.03866	0.3
127.98872	0.2
128.02159	0.3
129.00333	0.7
129.03943	0.4
131.00201	0.2
131.01892	2.5
132.00932	0.2
132.01962	0.6
133.01633	1.0
133.03430	2.0
133.10052	0.2
134.03604	0.2
134.06056	0.4
134.99785	0.3
135.03181	0.3
136.04538	0.2
137.02934	26.3
138.03003	1.6
138.40674	0.1
139.02681	0.5
141.01329	0.2
141.05450	2.3
142.03481	5.8
143.00209	0.3
143.01848	0.2
143.03586	0.5
144.05084	0.3
144.99800	11.6
145.03432	4.7
145.04573	0.2
145.99910	1.9
146.03757	1.6
146.99564	0.5
147.01364	7.2
147.03207	0.5
147.05020	0.5
149.01160	0.8
149.02989	0.8
150.01768	0.2
151.02644	0.3
151.04527	0.4
152.01898	0.8
152.07036	0.7
154.02516	0.2
155.01860	0.2
156.05078	0.2
157.03418	0.2
158.53635	0.2
159.01375	0.1
159.03131	0.2
159.05042	0.2
160.04507	1.1
161.02925	0.4
162.02969	0.2
163.00853	2.7
163.02637	0.2
163.04523	1.5
164.00983	0.8
164.04631	0.5
165.00583	0.3
165.02451	1.1
167.02298	0.4
168.01430	0.8
168.05074	0.3
168.98376	0.2
168.99866	0.4
169.01570	0.6
169.03441	0.6
169.05011	1.5
169.09816	0.2
170.02960	6.3
170.08047	0.2
170.09360	0.6
171.01428	0.3
172.02066	0.3
172.99336	0.2
173.02866	0.5
175.04424	0.2
177.00891	0.2
182.02005	0.2
185.02957	0.2
186.99274	0.4
187.00883	1.0
187.02696	0.7
187.04271	0.8
187.08083	0.2
188.04073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87673	1.0
53.00290	2.4
53.03927	3.3
55.05504	20.6
57.03418	2.0
57.07059	4.3
58.33540	1.1
59.04974	5.4
60.53753	1.1
65.03922	2.2
67.05141	1.7
67.05493	30.0
69.03400	2.0
69.07054	22.6
71.04981	36.0
73.06550	15.6
78.04286	1.4
78.04706	14.7
79.05028	1.3
79.05479	20.2
81.07043	33.7
83.04961	4.0
83.08610	7.3
85.06526	2.0
87.08079	1.2
91.05468	9.7
93.07029	41.4
93.30611	1.4
94.07343	1.4
95.04943	4.3
95.08592	100.0
96.05769	1.5
96.08887	1.9
97.06508	6.0
97.21010	1.2
98.21482	2.0
105.03353	2.4
105.04500	1.3
105.07010	4.9
106.04166	6.6
107.04932	3.2
107.08573	43.4
108.08874	1.4
109.02877	2.5
109.06499	1.8
109.07647	1.7
109.10136	23.7
111.04395	1.9
111.08045	5.9
119.08532	1.4
121.01682	2.7
121.06535	1.9
121.08421	3.4
121.10126	20.9
122.07146	1.3
123.04411	26.1
123.08083	1.6
123.11700	7.7
124.05223	7.4
125.05915	2.0
125.08284	1.2
125.09613	3.7
137.05969	1.3
137.77664	1.2
138.05437	1.9
144.03268	1.6
149.02324	2.7
149.13232	26.3
150.05478	1.6
150.10228	1.5
150.13634	1.6
151.03905	4.6
152.04645	5.3
163.84659	1.2
167.07016	92.0
167.14252	8.4
168.07385	2.5
168.10175	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	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03928	1.6
55.01867	0.6
55.05503	8.5
55.20325	0.4
55.59615	0.3
56.96548	0.6
57.03424	1.4
57.07059	1.4
59.04980	1.6
60.04473	0.4
60.69931	0.5
65.03916	1.5
66.04700	1.2
67.05495	14.1
68.05832	0.4
69.03403	1.7
69.07058	9.9
69.18542	0.4
69.64014	1.0
69.64419	2.9
70.06574	1.1
71.04981	16.3
73.06543	7.9
74.96534	0.4
78.04700	15.7
79.05016	0.8
79.05479	10.9
80.06284	0.5
81.03391	1.2
81.07043	15.0
82.06544	0.5
82.07372	0.5
83.04949	1.8
83.08595	4.2
85.02902	0.6
85.06526	1.1
87.08075	0.7
91.05467	5.4
93.03378	0.7
93.07027	20.2
94.04156	1.0
95.04951	3.9
95.08590	47.8
96.05719	1.3
96.08887	0.8
97.02862	0.4
97.06506	3.6
97.07629	0.5
105.03360	1.3
105.04485	0.5
105.06982	2.0
106.04159	5.8
107.04954	3.6
107.08575	21.5
108.04476	0.6
108.08910	0.6
109.02851	2.8
109.06491	1.5
109.07658	0.6
109.10142	8.1
111.04401	0.8
111.08056	2.0
119.08568	0.7
121.01636	1.8
121.02888	0.8
121.06487	1.4
121.07572	0.4
121.10119	11.1
122.03608	1.6
122.05992	1.0
122.07111	0.9
123.04407	28.0
123.08033	1.0
123.11655	2.8
124.05222	9.2
124.08673	0.5
125.05959	1.2
125.09627	2.0
125.96331	0.4
126.05481	0.7
134.03615	1.2
135.04379	1.4
137.05946	1.2
137.07851	0.6
139.02698	0.7
139.07487	1.1
140.07010	0.5
143.96689	0.7
144.03244	1.1
145.00797	0.4
149.02312	1.3
149.06004	0.9
149.09592	0.8
149.12091	0.8
149.13232	10.9
150.05470	1.0
150.10265	0.4
151.03903	5.8
152.04662	6.0
163.01897	0.5
167.03497	2.0
167.07011	100.0
167.10681	1.7
167.14282	4.3
167.15463	1.0
168.04103	1.1
168.07530	3.9
168.10242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03928	2.8
55.01853	1.5
55.05502	11.7
56.46075	0.4
56.96559	0.6
57.03428	0.4
57.07064	1.7
59.04977	2.9
65.03920	0.9
67.05489	6.3
69.03429	2.7
69.07056	41.5
70.06575	0.6
70.07391	0.6
70.82706	0.8
70.83082	1.4
77.03918	0.8
78.04694	5.8
79.05480	18.1
80.05818	0.6
81.03409	1.0
81.07042	12.3
83.04956	2.7
83.08606	2.0
84.96015	0.6
91.04916	1.0
91.05466	13.6
92.05783	0.6
93.03403	0.5
93.07028	78.4
94.04192	0.7
94.07357	1.7
95.04957	5.1
95.08589	13.4
96.08915	0.4
97.06514	6.3
97.10178	1.6
100.11217	0.6
103.05437	2.5
105.04533	0.9
105.07011	21.9
106.04158	2.2
106.07835	1.2
107.04929	3.2
107.08562	3.6
109.02882	0.8
109.06503	1.9
109.10133	0.6
111.04466	1.0
111.08042	0.7
111.11699	7.7
119.08561	4.8
121.01658	1.7
121.06484	1.3
121.10123	100.0
122.03657	0.8
122.10490	2.5
123.04408	10.5
123.08046	6.9
123.11675	0.5
123.90884	0.5
124.05235	3.2
124.06021	0.7
125.05992	1.1
125.09576	1.0
131.08548	0.7
133.07578	2.3
135.04379	0.6
136.44376	0.5
137.02277	0.5
137.05977	0.7
139.11183	2.7
144.03171	1.0
149.02357	1.1
149.05966	0.6
149.09593	14.4
149.20526	0.4
150.05420	0.4
151.03900	1.5
152.04678	1.9
167.03342	1.3
167.07018	36.6
167.09261	1.0
167.10640	30.1
168.11023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00291	2.0
53.03917	2.6
55.05275	1.1
55.05503	17.0
57.03421	2.0
57.07059	4.0
59.04980	3.7
61.18485	1.4
62.37980	1.0
65.03914	1.9
67.05148	1.4
67.05495	31.7
69.03421	2.9
69.07052	19.1
70.89823	4.1
71.04984	35.0
73.06544	15.4
78.04282	1.5
78.04696	14.0
79.05020	2.3
79.05479	17.6
81.07045	34.6
83.04955	2.3
83.08582	7.6
85.06509	2.4
87.08101	1.1
91.05450	6.2
93.06426	1.8
93.07026	34.8
95.04951	3.2
95.08589	100.0
96.08918	2.7
97.02068	1.2
97.06508	5.2
105.03381	1.5
105.06992	4.0
106.04123	6.0
107.04901	3.2
107.08576	42.4
108.08912	1.5
109.02846	2.6
109.06497	1.7
109.10138	20.7
111.08047	4.9
121.01572	1.8
121.06519	1.8
121.10126	20.1
122.03610	1.6
123.03516	1.4
123.04411	26.0
123.07964	1.9
123.11697	6.7
124.05197	6.2
125.09605	2.6
149.13242	21.7
151.03873	4.5
152.04655	4.3
167.07008	80.8
167.14284	6.8
168.07396	3.6
182.24001	1.0
183.01917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02362	0.4
52.37916	0.2
53.03939	2.5
55.01861	1.8
55.05507	0.4
59.06107	0.5
65.03922	0.4
67.05481	1.0
68.05006	0.4
68.99770	0.9
69.03403	0.9
70.06582	0.5
71.68721	0.4
77.03917	0.9
78.04701	0.6
79.05482	16.0
80.05801	0.5
81.03376	0.8
81.07040	3.7
82.06563	0.6
83.04958	0.3
83.06078	0.3
84.08119	0.4
85.07658	0.4
91.05469	14.8
92.05798	0.4
93.07031	20.4
94.07365	0.3
95.01317	0.4
95.04955	5.9
95.08591	0.4
97.02843	0.3
97.06501	0.7
97.07623	0.3
103.05454	1.7
105.03363	0.4
105.04497	1.4
105.06962	0.4
107.01289	0.3
107.04949	1.8
107.08559	0.5
108.02034	0.3
109.06455	0.4
109.07625	1.3
110.07178	0.4
110.08395	0.7
111.04395	0.4
111.09182	0.7
121.01679	0.6
121.02871	1.3
121.05596	0.7
121.06487	13.8
121.10131	0.7
122.06059	0.3
122.06882	0.5
123.04403	1.6
123.08059	0.7
123.09169	0.3
123.11676	0.4
124.05197	0.3
125.05965	0.5
126.10205	0.4
139.07524	1.1
144.03304	0.3
144.69162	0.3
149.02357	0.6
149.05931	3.3
150.10223	1.3
167.07014	100.0
168.07388	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	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.93869	0.3
52.03155	0.6
53.03928	1.2
55.01864	0.5
58.78246	0.2
58.78542	0.3
65.03926	0.5
66.04691	0.9
67.05487	0.9
68.16943	0.3
69.03405	0.4
69.07040	0.4
69.38193	2.8
69.38608	0.7
77.03903	0.4
78.04700	15.2
79.05025	0.4
79.05484	5.5
81.03400	0.7
81.07030	1.1
83.04955	0.5
91.05479	1.5
91.05960	0.3
93.03368	0.9
93.07032	0.8
94.04174	0.8
95.04961	2.5
96.05723	1.3
97.06509	0.4
100.91399	0.3
105.03364	1.0
105.04507	0.5
106.04151	6.2
107.04947	3.5
107.08573	1.5
109.02872	1.8
109.06497	0.7
111.08055	0.4
121.01618	0.3
121.02802	0.5
121.06550	0.3
121.10121	1.0
122.03646	1.7
123.04412	26.9
124.05204	7.8
125.05952	0.7
126.80351	0.3
134.03596	1.5
135.04411	0.8
137.02287	0.5
137.05963	1.0
149.02325	0.5
149.09573	0.5
150.03000	0.3
151.03876	5.0
152.04677	5.3
167.07014	100.0
168.04143	0.7
168.06377	0.3
168.07401	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	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02369	0.3
52.03156	0.3
53.03943	1.7
55.01851	0.9
55.05495	1.5
56.05012	0.9
57.03421	0.4
58.06578	0.3
59.06098	1.1
64.16177	0.2
65.03916	1.1
66.04695	1.0
67.05486	1.8
67.60016	0.3
68.05017	1.6
68.99776	0.7
69.03412	0.7
69.04531	0.3
69.07041	1.1
70.06582	2.6
71.04971	0.4
71.39116	0.6
71.39465	0.3
72.08126	0.7
77.02150	0.3
77.03902	0.5
78.04700	13.9
79.05103	0.4
79.05480	9.4
80.04975	0.8
81.03387	1.0
81.04522	0.8
81.07043	2.5
82.06570	1.8
83.04958	0.9
83.06072	0.9
84.08141	0.6
85.02898	0.5
85.03986	0.2
85.07632	0.9
86.06042	0.2
90.61949	0.3
90.73507	0.3
91.05469	4.4
93.03357	0.8
93.07031	6.9
94.04160	0.9
94.06547	0.9
94.07372	0.4
95.04955	4.3
95.06058	0.7
95.08587	0.7
96.05716	1.0
97.02893	0.4
97.06500	1.6
97.07633	0.9
98.07149	0.5
99.04430	0.4
103.00644	0.3
103.05463	0.5
105.03381	1.2
105.04485	0.6
105.07009	0.8
106.04166	5.2
107.04953	3.7
107.06036	0.4
107.08558	2.6
108.04444	0.3
109.02858	1.7
109.06534	1.2
109.07632	4.6
110.03632	0.4
110.06074	0.3
110.07149	0.5
110.08431	2.3
111.04424	1.0
111.05527	0.3
111.08023	0.7
111.09208	1.8
113.05918	0.3
115.27559	0.3
120.02026	0.2
120.45753	0.3
121.01637	2.0
121.02896	1.2
121.06492	4.4
121.07489	0.5
121.10098	2.0
122.03631	1.3
122.07153	1.4
123.04416	23.7
123.08035	1.0
123.09155	0.7
124.05218	6.9
124.08687	0.9
125.02312	0.6
125.06026	1.5
125.07019	0.4
125.08200	0.5
125.09615	0.3
126.06615	2.3
126.10293	0.3
127.07434	0.5
127.11025	0.3
134.03586	1.1
135.04382	0.9
137.02298	0.6
137.05971	1.1
137.08078	0.3
138.03133	0.4
139.02684	0.6
139.03850	0.3
139.07487	0.9
139.08540	0.4
139.11124	0.3
144.03207	1.4
149.02295	1.0
149.04900	0.3
149.05963	1.2
149.07030	0.3
149.08157	0.3
149.09535	0.7
150.05473	0.4
150.06555	0.4
150.10240	5.0
151.03902	4.5
151.06090	1.0
152.04677	5.0
153.05042	0.3
161.60184	0.3
162.04320	0.3
167.07013	100.0
167.12820	1.2
168.04150	0.8
168.07474	3.3
168.08788	0.5
168.11270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.086
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.58185	0.1
53.03915	0.1
62.00339	0.1
65.92628	0.2
70.86322	0.3
70.86675	0.1
79.05468	1.2
80.94924	0.2
91.05465	0.5
93.07030	2.0
94.07373	0.1
95.04961	0.2
103.05450	9.5
104.05753	0.3
107.04935	2.2
107.08638	0.1
120.08083	100.0
121.07609	0.2
121.08408	2.4
121.97545	0.1
124.93977	0.1
131.04903	2.5
142.95013	0.2
149.05986	0.6
166.08594	1.6
168.66754	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	166.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01846	1.1
55.05501	6.6
56.05018	3.4
56.96555	1.6
57.03423	0.7
65.03938	1.4
67.05505	4.4
68.05016	5.0
69.03417	41.0
69.07056	3.4
70.06580	21.5
71.04984	0.9
71.06906	1.0
71.70114	0.8
71.70486	0.7
78.04697	2.8
79.05477	13.6
80.05006	9.7
80.05811	0.9
81.03387	1.3
81.05782	1.2
81.07043	48.2
82.06570	3.5
82.07364	1.6
83.04963	1.1
83.08610	1.0
83.93020	2.0
84.04489	2.7
84.08124	2.2
84.96044	0.8
86.06053	38.0
87.04462	2.9
87.06404	0.7
91.05459	2.8
92.04984	1.1
92.05808	2.4
93.07033	4.4
94.06565	4.9
95.04955	3.4
95.08584	2.4
96.04465	1.8
96.05309	1.1
96.08112	26.6
97.06519	1.1
97.08460	0.9
98.06038	100.0
98.09687	2.1
99.06364	2.0
102.02246	0.8
103.05437	2.0
105.07029	1.1
106.04161	0.9
106.06535	1.7
107.04963	1.6
107.08566	2.8
108.04463	1.5
108.08089	1.1
109.06531	1.0
110.06011	2.7
110.06746	0.9
110.09694	1.0
111.04389	0.7
112.07590	18.1
115.96404	0.6
116.97279	0.7
118.06524	2.8
119.01900	1.1
119.04911	1.2
119.95078	1.2
120.01213	0.7
120.01942	3.4
120.04487	1.0
120.05256	4.8
120.08090	14.8
120.08856	0.8
121.01672	1.2
121.02834	0.9
121.06471	2.7
121.08443	1.1
121.10120	2.2
122.05995	1.0
122.09645	2.2
123.03643	0.8
123.04403	4.5
123.06756	0.9
123.08053	1.0
124.03944	1.5
124.05121	2.0
124.07572	70.6
124.11935	0.7
125.02257	0.7
125.05952	1.4
125.07965	2.6
125.09617	0.7
136.07553	22.4
137.05977	1.5
138.03091	0.8
138.05478	6.4
138.06450	1.0
138.09081	4.3
139.07463	0.8
141.06485	0.6
142.96674	6.7
143.03552	3.2
144.03224	0.9
148.04758	10.3
148.07520	7.3
148.11147	1.3
149.02342	2.1
149.04933	0.7
149.05977	1.3
149.09578	1.8
151.03897	1.5
152.04628	1.0
161.04588	1.0
165.02003	0.5
165.98134	0.7
166.04927	8.0
166.08603	70.5
166.12212	18.9
167.03362	1.7
167.05562	1.1
167.07001	17.5
167.08939	3.5
167.10652	2.4
167.15443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14883	0.3
56.96549	1.4
65.92619	0.7
68.46252	0.4
70.93401	1.2
80.94940	1.7
82.99826	1.5
89.09586	0.4
91.05470	0.7
92.01231	0.4
98.21185	0.5
100.02447	1.1
101.00855	20.6
102.00933	0.8
111.95472	0.4
112.83427	0.4
118.03528	0.9
119.01894	100.0
119.04887	1.1
120.01974	3.9
121.02345	0.5
121.97540	1.2
124.02416	4.4
124.93867	1.0
133.03406	0.4
137.02925	30.1
138.03026	1.9
142.03473	72.7
142.94965	0.7
143.03603	3.9
147.04317	2.4
153.25768	0.4
160.04527	22.4
160.95966	1.2
161.02943	0.5
161.04633	0.9
165.05087	2.8
166.08624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
57.03415	1.0
67.05478	0.4
70.35304	1.6
70.99847	0.7
73.02889	0.3
75.61139	0.3
77.00877	0.4
80.94968	0.4
82.99825	1.6
83.44218	0.3
89.00861	0.7
89.39162	0.3
91.05444	0.9
92.02892	0.3
95.04961	1.0
98.21188	0.8
100.02445	1.8
101.00867	24.4
101.02531	0.6
102.00966	1.0
102.02211	0.5
118.03528	1.0
119.01901	100.0
119.04919	1.1
120.01974	4.7
120.03297	0.3
120.08086	0.9
121.02332	0.4
121.06500	0.6
121.97553	0.4
123.04398	1.3
123.72606	0.3
124.02420	4.0
131.01913	0.4
133.03473	0.6
137.02937	30.7
138.03046	1.4
142.03481	55.8
143.01888	0.4
143.03601	2.5
144.26558	0.4
147.04404	1.4
160.04532	17.4
161.02943	0.7
161.04688	0.6
165.05107	1.6
166.08611	1.0
183.06065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02364	1.3
51.77228	0.7
53.03934	6.8
53.47301	0.7
55.01865	1.0
55.05498	11.6
56.05020	1.3
57.03434	0.9
57.07061	6.2
65.03931	2.4
67.05481	4.1
68.05016	3.5
68.99773	2.1
69.03413	2.1
69.07056	33.8
70.55505	2.4
71.08611	1.0
71.83969	0.7
75.37389	0.7
77.03898	1.6
79.05016	1.3
79.05481	22.1
80.05008	1.5
81.03376	1.2
81.04525	2.9
81.07041	7.4
82.05303	1.4
83.04980	1.4
83.06088	1.3
83.08603	8.0
89.03899	8.4
91.05461	21.0
91.69261	0.7
92.02606	3.1
92.05775	0.8
93.04544	0.7
93.07028	38.8
94.06557	0.9
94.07376	1.7
95.04945	14.3
95.06073	4.5
95.08579	7.3
96.04494	1.0
96.06831	2.0
97.07639	2.0
100.02460	1.1
103.05447	27.8
104.05763	1.1
105.03376	4.4
105.04482	4.0
105.07015	24.1
106.06544	2.0
106.07241	0.9
107.04935	13.8
107.06078	2.0
107.08572	100.0
108.04488	1.5
108.05563	2.9
108.08118	1.7
108.08897	3.1
108.09481	1.0
109.06499	4.2
109.07613	2.0
109.10141	2.4
114.05487	0.9
114.53051	0.7
115.05437	1.6
117.03362	8.0
117.05782	0.9
117.07005	5.1
118.03501	1.7
118.06506	2.8
119.04922	3.4
119.06093	3.8
119.06826	1.8
119.08554	11.3
120.05573	2.2
120.08052	1.2
121.06503	3.7
121.10121	80.3
122.06039	1.1
122.07153	8.3
122.10434	3.6
123.08001	6.3
124.05161	0.8
130.06487	1.8
130.07741	2.1
131.04906	29.8
132.05240	1.6
132.08063	3.4
133.02837	17.0
133.07550	0.9
133.10110	1.5
134.03154	1.2
134.10887	1.6
135.04390	32.8
135.08032	3.8
135.09030	1.0
135.11673	24.9
136.03848	1.1
136.04773	2.4
136.07538	4.9
136.08664	5.2
136.12033	1.3
145.02838	4.4
145.03880	1.3
145.06474	2.6
145.10106	5.7
146.06013	1.6
146.07101	3.4
151.65642	0.8
158.96196	0.9
163.03874	89.7
163.07492	12.1
163.08653	1.1
163.09767	12.0
163.11154	16.3
163.12337	1.7
163.14790	24.2
164.04440	5.9
164.05696	1.6
164.06993	14.6
164.11787	1.2
164.15204	1.2
178.93451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	10.2
55.01853	2.0
55.05501	13.0
57.07059	3.1
61.02895	1.4
65.03931	1.1
67.05492	40.3
68.05814	1.2
69.07056	15.8
71.70158	2.0
75.04561	1.0
77.03910	2.5
79.05479	86.3
80.05022	1.3
80.05806	2.3
81.03400	2.0
81.07042	61.0
83.04971	1.4
83.08602	9.9
85.02879	1.1
91.04929	1.5
91.05465	20.9
92.02624	3.6
92.05789	1.2
93.07027	88.2
94.06554	1.2
94.07354	2.4
95.04388	2.1
95.04951	19.3
95.08590	58.3
96.08929	2.5
97.10143	2.8
100.02450	1.1
103.05446	1.7
105.03369	4.7
105.04505	2.8
105.07021	8.9
106.06554	1.3
107.04942	9.7
107.08572	71.7
108.05207	1.0
108.08868	1.9
109.06497	2.9
109.10162	4.9
112.03908	1.2
117.06992	4.1
118.03529	1.1
118.06527	2.1
119.04893	3.4
119.08567	5.3
120.08087	2.2
121.06480	1.7
121.10124	100.0
122.10419	2.5
123.08019	1.0
130.06523	2.4
130.07672	1.1
131.04829	1.5
132.08090	3.3
133.02827	20.3
133.10104	1.3
134.03096	1.7
135.04398	18.6
135.08066	2.6
135.11656	14.1
136.04784	1.1
136.07527	1.9
138.03069	1.4
145.10085	6.1
146.06017	1.1
163.03877	80.2
163.07475	2.3
163.08702	1.5
163.11140	18.5
163.14803	62.7
164.04303	6.3
164.07042	13.8
164.15121	2.5
165.39098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02370	1.5
53.03935	8.8
55.01862	10.7
55.05505	6.0
56.96561	1.0
57.03431	3.4
57.07058	1.1
65.03921	1.8
65.81458	0.6
67.05493	13.3
68.05019	1.1
68.99774	0.7
69.03410	6.1
69.07056	6.5
69.45662	3.3
69.46098	2.7
69.59166	0.7
71.04967	1.3
74.05460	0.7
77.03909	2.2
79.05479	38.7
79.64259	0.5
80.04994	1.3
80.05812	0.9
81.03410	4.1
81.04523	0.7
81.07043	14.7
83.04959	2.8
83.08608	1.4
85.02865	0.9
87.35621	0.7
89.03889	3.6
91.05464	25.7
92.02618	3.5
92.05800	0.9
93.07026	39.4
94.06552	1.5
95.04948	23.0
95.06055	2.3
95.08585	11.2
96.06873	0.9
97.06464	0.9
97.07645	1.2
98.21461	1.3
100.02457	2.6
103.05447	32.0
104.05766	1.2
105.03395	6.6
105.04482	4.0
105.07014	24.3
105.07719	1.3
106.06531	2.5
106.07269	0.6
107.04933	25.5
107.08571	35.9
108.04509	0.8
108.05512	0.9
108.08108	1.8
108.08891	0.9
109.05843	0.7
109.06506	3.0
109.07619	1.5
112.03956	0.9
114.05498	0.7
115.05411	3.4
116.06203	1.1
117.03378	3.0
117.05709	1.9
117.06998	20.4
118.03483	2.9
118.06521	1.9
118.07321	1.4
119.04918	6.2
119.05785	0.6
119.06080	0.6
119.08555	13.3
120.02074	0.7
120.05656	1.1
120.08085	1.5
121.02861	0.6
121.04021	0.8
121.06480	13.8
121.10118	14.9
122.06044	0.9
122.07132	2.5
123.07982	1.7
128.06215	0.8
129.06927	0.9
130.06583	3.9
130.07755	7.4
131.04907	34.7
132.05219	1.4
132.08084	4.4
133.02831	21.5
133.06462	1.4
133.10081	2.4
134.03105	1.0
134.06006	0.8
134.07129	0.8
134.09674	0.8
135.04395	27.2
135.05455	1.3
135.08011	9.6
135.09019	1.3
135.11664	16.6
136.04727	1.0
136.07533	3.5
136.08534	1.1
138.03084	1.7
140.03413	0.8
143.08531	2.7
145.02773	1.8
145.03886	1.4
145.06448	3.2
145.10092	27.9
146.05981	1.1
146.07056	1.5
146.10480	1.1
148.05197	1.5
148.08757	1.3
149.05960	0.8
158.96397	0.7
163.03874	100.0
163.07494	15.9
163.08623	1.7
163.09770	4.7
163.11125	50.4
163.12251	2.9
163.14798	4.9
164.03171	1.3
164.04466	3.2
164.07008	13.1
164.11551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
50.11145	0.7
51.02366	1.3
53.03699	1.1
53.03937	9.4
55.01868	5.3
55.05503	5.2
57.03424	1.8
57.07080	0.7
63.81183	0.6
65.03924	2.1
66.50275	0.7
67.05496	28.6
68.05824	1.0
69.03411	1.1
69.07056	7.7
69.18130	0.7
71.21706	1.5
77.03906	1.8
79.05480	60.4
80.05779	1.4
81.03403	14.1
81.07047	20.5
83.04955	5.3
84.64294	0.7
85.06509	1.1
91.05466	37.0
92.02615	4.4
93.07028	47.3
95.04951	26.4
95.08598	6.2
97.06514	8.9
100.02477	1.0
103.05427	3.0
105.03381	4.8
105.04482	4.0
105.07011	12.4
107.04936	13.7
107.08575	29.9
109.06492	3.1
112.03920	0.8
115.05425	2.0
117.07001	16.4
118.03493	0.9
118.06493	1.4
119.04916	2.0
119.08558	26.4
121.06483	8.1
121.10133	15.3
122.10415	0.7
130.06503	0.8
130.07759	4.5
131.04829	1.5
132.08119	1.2
133.02832	25.3
133.06418	1.0
133.10103	3.0
134.03131	1.2
135.04402	26.7
135.05399	1.1
135.08032	5.1
135.11671	26.9
136.04776	0.9
136.12012	1.0
143.08534	2.3
145.06476	0.9
145.10100	28.9
146.10469	1.1
163.03882	100.0
163.07509	1.9
163.11154	89.2
163.14816	3.0
164.04338	4.2
164.07039	4.6
164.11497	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	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03938	11.9
55.01868	6.3
55.05501	5.7
61.77377	1.0
65.03929	1.3
67.05492	27.6
69.07048	5.4
70.60098	1.1
71.71253	1.2
71.71675	1.4
77.03895	2.1
79.05480	62.2
81.03015	0.9
81.03412	10.5
81.07047	24.9
83.04951	3.8
91.04926	2.0
91.05460	30.7
92.02592	4.1
93.07028	50.0
94.07313	1.2
95.04948	26.1
95.08585	9.9
97.06511	7.4
100.02435	1.6
101.96975	1.0
103.04043	0.9
103.05443	2.7
104.04961	4.4
105.03376	5.9
105.04489	3.8
105.05783	5.5
105.06999	10.4
105.38228	1.0
107.04946	15.1
107.08575	33.4
108.08865	1.9
109.06473	2.7
115.05444	1.9
117.07014	14.5
118.06500	2.0
119.04939	3.1
119.08567	21.3
120.04428	2.4
120.08925	1.0
121.06494	9.2
121.10128	22.7
130.06534	1.6
130.07759	4.4
132.04414	2.2
133.01907	1.5
133.02838	24.4
133.05177	2.6
134.03133	1.1
135.04395	27.2
135.08015	4.4
135.11667	22.0
138.03114	1.1
143.08533	1.9
145.06567	1.2
145.10103	24.7
146.10408	1.3
149.04689	1.5
162.05525	1.5
163.03877	100.0
163.07492	2.5
163.11153	82.3
163.14804	10.6
164.04224	4.0
164.07056	4.3
164.11571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02361	1.2
53.03937	9.3
55.01863	9.4
55.05487	3.2
57.03430	1.6
65.03926	1.3
67.05489	10.3
69.03422	3.3
69.07061	3.8
70.88379	2.5
71.04958	1.0
77.03899	2.4
79.05018	1.5
79.05479	30.1
80.05804	1.4
81.03410	6.4
81.07046	9.3
83.04951	2.2
84.55354	0.6
91.05463	15.5
92.02608	3.3
93.07024	29.4
95.04955	23.0
95.08597	7.1
96.05267	0.8
97.06503	1.0
100.02460	1.5
103.05441	4.1
105.03370	5.9
105.04476	4.7
105.07011	14.5
107.04930	16.1
107.08572	20.5
109.06487	2.1
115.05411	2.7
116.06186	1.6
117.06994	15.6
118.03504	1.0
118.06522	0.9
119.04919	2.1
119.08579	9.1
121.06476	9.1
121.10114	7.5
129.06929	1.6
130.06508	0.8
130.07758	4.9
131.04910	3.0
132.08051	1.3
133.02826	28.6
133.06477	0.8
133.10103	1.8
134.03145	1.5
134.07262	0.9
135.04393	28.2
135.08009	4.4
135.11655	11.8
136.04773	1.0
138.03078	0.8
143.08528	1.7
145.10091	19.5
145.76472	0.7
163.03874	100.0
163.07536	2.3
163.11143	32.2
163.12215	1.1
163.14810	1.8
164.04282	4.3
164.07072	3.7
164.11487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01575	0.4
52.40724	0.4
53.03943	3.5
53.76477	0.4
55.01853	0.7
56.05023	0.4
56.96551	0.5
63.02347	1.9
65.03939	0.4
68.05012	0.7
68.99770	0.8
69.03417	0.8
70.95185	1.4
77.03909	0.8
79.05020	0.8
79.05480	12.4
79.05930	0.8
81.03398	0.5
81.04520	1.3
81.07053	0.5
83.06030	0.6
89.03905	68.1
90.04237	1.1
91.05468	2.5
92.02630	0.6
93.07031	1.5
94.06524	0.5
95.04955	6.1
95.06089	0.8
96.06846	0.8
97.07660	0.5
103.05454	24.7
104.05806	0.6
105.03395	1.3
105.04506	1.9
105.07011	1.1
107.04943	18.8
107.06055	0.8
107.08585	1.7
108.05548	0.8
115.05455	0.6
115.93224	0.3
117.03363	49.7
117.06997	1.9
118.03713	1.3
119.04920	1.3
119.06112	0.4
119.08601	0.4
120.05614	1.0
120.06490	0.5
121.06435	1.0
121.10111	1.3
122.07145	2.2
123.07917	1.1
126.01525	1.0
130.06505	0.5
131.04909	24.4
132.08113	0.8
133.02838	4.8
135.04396	100.0
135.07988	1.2
135.11687	0.9
136.04736	3.2
136.07605	0.9
136.08670	1.5
143.03146	0.4
145.02831	40.1
145.03804	1.4
145.06483	0.8
145.10077	1.2
146.03238	0.8
146.07111	0.9
158.05981	0.6
163.03883	88.2
163.07539	6.9
163.09753	3.9
163.11160	3.1
163.12300	0.6
163.14815	0.7
164.04280	3.0
164.07016	0.7
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
53.03919	1.1
55.01852	0.5
56.05015	1.0
56.96548	0.4
59.06107	0.7
60.04500	1.2
61.62663	0.4
65.03922	0.4
68.05004	0.6
68.99781	0.5
69.03406	0.4
70.06580	0.8
71.68356	0.4
72.04488	0.9
72.08128	0.7
74.06061	2.0
75.05568	0.3
79.05483	2.9
80.05010	0.7
81.03424	0.4
81.04500	0.9
82.05324	0.4
83.06087	0.7
84.04488	1.6
85.02860	0.4
86.06031	0.8
87.05572	0.4
88.03977	0.4
89.03900	5.4
91.05463	2.0
92.02612	0.6
92.04984	0.8
93.07017	0.8
94.06531	0.8
95.01297	0.6
95.04956	2.7
95.06091	0.9
98.06039	0.7
102.05513	2.2
103.03896	0.3
103.05444	1.7
104.07097	0.5
105.03372	1.4
105.04489	0.6
105.07000	0.7
106.06521	1.5
106.07289	0.5
107.04929	3.3
107.06045	0.8
107.08567	0.8
108.05623	0.4
116.04968	3.6
116.07066	1.0
117.03342	3.7
117.07059	0.6
118.06532	0.6
119.04916	0.4
119.06076	0.4
119.08575	0.4
120.02044	0.7
120.04438	3.3
120.05338	0.4
120.05600	0.4
120.06506	0.8
120.08076	1.6
120.08881	0.6
120.91214	0.3
120.97928	0.6
121.02869	0.4
121.06426	0.7
121.07637	0.3
122.07088	0.9
123.07943	0.6
127.03849	0.4
130.06525	0.5
131.04907	1.4
132.08055	0.5
132.98532	0.3
133.02827	4.2
134.06015	2.6
134.06949	0.6
134.09610	0.3
134.10468	0.7
135.04401	10.5
135.05461	0.6
135.08063	0.5
135.09042	0.4
136.08647	0.9
138.03134	0.5
138.98903	1.0
139.01762	0.9
139.02724	0.4
144.04399	1.1
144.06606	0.5
145.02850	2.4
145.06459	0.5
145.09825	0.7
146.07109	0.5
162.05472	100.0
162.08990	4.0
163.03879	19.5
163.05962	2.4
163.07483	1.2
163.09740	1.6
163.11108	0.8
180.04379	0.4
181.02814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03933	2.6
55.01851	1.1
55.05501	5.8
57.03394	0.8
57.24373	0.7
65.03929	2.2
67.05490	27.0
69.03403	3.8
69.07055	6.6
70.06396	2.5
79.05479	38.9
80.05793	1.1
81.07041	33.4
82.07386	1.0
83.08595	1.7
88.29972	0.7
91.05464	90.4
92.05782	2.4
93.07030	25.5
94.07365	1.0
95.04980	3.3
95.08593	18.1
103.05450	3.4
103.41830	0.7
105.07011	86.0
106.06713	0.7
106.07368	2.7
107.04939	1.3
107.08586	5.3
115.03938	0.8
115.05415	3.4
117.07000	29.2
118.06552	0.8
118.07298	0.9
119.08559	72.1
120.06557	0.9
120.08124	0.9
120.08926	2.3
121.06459	3.7
128.06190	5.9
128.61272	0.7
131.04895	1.6
131.08543	4.9
132.05653	1.0
132.09299	1.1
133.06482	4.8
133.10106	49.7
134.06000	1.1
134.10451	1.4
135.73239	0.7
143.08554	8.8
145.06477	1.4
146.07239	8.2
159.11694	3.5
161.05956	2.9
161.07327	1.3
161.09593	65.9
161.13229	100.0
162.05510	2.2
162.10150	3.2
162.13628	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	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91654	0.8
54.03456	1.3
54.87496	0.7
55.01863	1.9
63.38607	0.7
66.03442	2.2
67.02979	1.3
67.05482	1.4
68.05015	2.0
69.03408	1.6
71.62714	1.6
74.06074	1.0
77.44726	0.7
79.02955	3.7
79.05473	2.3
80.03748	0.8
80.04998	1.0
81.04530	4.7
83.53585	0.8
91.05470	8.0
93.04514	9.7
93.07020	3.5
97.02876	1.0
103.03921	0.9
103.05463	1.3
105.03403	0.9
105.07012	43.3
106.07335	1.1
107.04939	3.0
107.06065	1.9
108.05557	0.9
113.02324	5.2
115.05441	1.5
117.07021	1.5
118.04131	1.2
119.05008	0.7
119.06072	0.8
119.08573	7.4
120.05578	20.3
120.06433	0.8
121.06402	44.9
122.07162	0.9
128.06212	3.2
131.04961	3.6
131.08540	2.2
132.05672	1.5
133.06479	5.4
133.10109	24.4
134.06160	1.2
134.07124	8.8
134.10442	1.1
138.06610	2.9
143.08536	4.0
144.05592	1.8
145.06499	4.3
146.07242	25.3
147.07607	1.2
159.08015	1.5
161.05980	3.5
161.08214	53.4
161.09599	100.0
161.13188	4.8
162.05479	2.7
162.08781	2.2
162.10010	5.2
180.07771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.4
51.80719	0.4
53.03930	1.1
55.01850	1.3
55.05493	1.5
60.46351	0.4
65.03922	0.4
67.05489	3.3
69.03421	8.8
69.07043	1.3
69.47443	0.7
69.47852	3.4
79.05482	5.0
81.07050	3.9
91.05468	17.3
93.07036	6.3
95.04920	1.1
95.08588	1.8
98.21433	0.5
103.05423	0.9
105.07014	48.2
106.07349	1.6
107.04929	1.9
107.08564	0.8
115.05447	1.4
117.06991	3.1
118.07771	0.6
119.04942	1.0
119.08564	17.0
121.06480	15.2
122.06865	0.4
123.15095	0.4
128.06210	7.3
131.04930	2.6
131.08566	2.4
132.05673	1.5
133.06471	2.7
133.10109	28.8
134.10419	0.8
141.06984	0.5
143.08543	10.7
145.06474	3.8
146.07248	26.8
147.07513	0.9
159.08025	0.9
159.11636	0.5
161.09596	100.0
161.13226	15.6
162.05431	0.6
162.08958	0.4
162.09982	5.1
162.13541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02359	0.6
53.03939	2.3
55.01865	5.2
55.05503	2.3
55.11776	0.4
56.38446	0.4
57.63746	0.3
59.06113	0.6
61.65697	0.4
65.03922	0.9
66.03454	0.6
66.04697	1.8
67.05486	1.2
69.03410	0.5
69.07048	1.1
71.70434	0.6
72.08138	0.9
73.02890	0.6
73.07832	0.4
73.08463	1.1
74.06045	0.5
77.03883	0.5
79.05479	20.5
81.03439	0.4
81.07037	1.8
83.08589	1.6
89.03884	1.0
90.04689	3.2
90.22025	0.4
91.05465	8.1
92.02622	0.6
93.04512	0.7
93.07021	1.1
95.04945	4.6
95.08578	0.4
101.06091	0.4
102.04660	0.6
102.05510	0.5
103.05447	23.6
104.05727	0.5
105.03380	1.3
105.04508	1.5
105.07011	100.0
106.07335	3.2
107.04959	1.0
107.06036	1.0
107.08549	0.8
113.02367	1.1
115.05437	27.9
116.01675	0.6
116.04980	0.6
116.05713	0.7
117.06998	1.6
118.04140	20.1
119.04449	0.6
119.08558	16.4
120.05569	1.2
120.06499	0.4
121.06400	2.6
121.10164	0.5
128.06194	1.2
131.04906	4.8
131.08560	1.4
132.05644	1.7
133.06468	49.1
133.10098	7.8
134.05989	0.8
134.06970	2.8
140.52391	0.5
143.04951	0.9
143.06033	4.0
143.08507	2.0
146.03618	2.0
146.07256	1.5
146.10922	0.5
159.11664	0.4
161.05965	15.0
161.08209	2.6
161.09602	10.2
161.10866	0.8
161.13232	11.2
162.05453	10.7
162.09122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02362	0.6
53.03748	0.3
53.03941	3.0
55.01639	0.4
55.01870	4.8
55.05486	0.9
65.03931	0.7
66.04710	2.3
67.05488	0.8
67.23852	0.3
69.03423	0.5
69.07061	0.5
70.26468	1.1
70.26884	0.6
72.08127	1.2
72.18843	0.3
73.08472	1.0
77.03919	0.7
78.93120	0.5
79.05484	20.1
81.03427	0.4
81.07045	1.4
85.75310	0.3
89.03892	1.4
90.04696	3.9
91.05469	6.3
92.02605	0.8
92.05833	0.4
93.04507	1.0
93.07024	0.7
94.04128	0.5
95.04962	4.7
97.02856	0.4
98.20794	0.4
102.04690	0.8
103.05454	23.4
104.05726	0.4
105.03377	1.2
105.04505	1.3
105.07017	100.0
106.07351	3.1
107.04941	1.2
107.06087	0.3
107.08593	0.4
108.05716	0.3
115.05443	28.6
116.05805	0.9
117.07011	1.1
118.04145	19.0
119.08559	8.0
120.05633	0.7
121.06364	1.5
128.06168	0.7
130.11845	0.3
131.04919	4.6
131.08560	0.7
132.05687	1.3
133.06474	46.3
133.10094	4.5
134.06963	2.1
140.33995	0.3
143.04953	0.5
143.06004	4.2
143.08562	1.1
146.03600	1.2
146.07210	0.6
146.10867	0.4
161.05969	11.5
161.06969	0.6
161.08179	1.5
161.09604	4.6
161.13246	5.6
162.05511	1.0
162.09093	0.8
162.10268	0.4
180.04523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99839	0.5
60.56047	0.4
68.98294	0.4
69.92905	2.7
73.57605	0.4
77.00893	0.5
79.25826	0.5
79.76849	0.4
80.87127	0.4
82.01427	1.0
82.99815	0.8
85.01377	0.5
88.51695	2.5
89.01736	0.7
89.51526	0.5
92.51943	0.5
98.01409	1.0
100.02478	3.6
101.00861	12.6
101.52460	3.8
102.00972	1.3
102.02567	0.6
102.51417	1.5
102.52298	0.5
103.00610	0.9
103.02445	1.4
109.52182	6.0
110.02229	1.3
110.52069	0.6
111.02214	0.8
112.01135	1.0
114.51389	2.2
115.00597	0.6
115.01396	0.5
116.51156	4.9
116.98835	0.4
117.00390	0.6
117.01204	1.5
117.51032	0.5
118.03500	1.8
118.52664	0.5
119.01907	100.0
120.01984	6.9
121.01636	2.5
121.02370	0.5
121.03510	0.7
122.52923	0.9
123.03078	0.6
123.51926	5.8
124.01115	3.5
124.01981	1.6
124.51884	0.6
125.51672	6.9
126.00851	4.2
126.01734	2.2
126.03928	0.9
126.50866	1.2
126.51633	0.7
127.00726	0.7
128.01901	0.7
128.51065	0.6
132.52451	0.9
132.80646	0.4
132.99985	0.5
133.01631	12.1
133.51663	3.3
134.01535	1.6
134.99898	3.2
135.01382	2.7
135.51872	1.9
135.99960	0.7
136.01996	0.5
137.02960	43.6
137.51625	7.4
137.52496	0.8
137.99808	0.5
138.00806	0.5
138.01703	1.9
138.03099	2.7
139.02713	0.8
142.03496	3.6
143.03615	1.8
144.03214	0.7
144.05035	0.7
144.52438	4.9
145.02519	1.5
145.52310	0.9
146.03004	0.5
146.52180	5.4
147.01271	4.4
147.02396	2.1
147.51399	0.9
148.01195	0.9
149.02470	0.6
151.00920	0.7
153.00952	1.8
156.01973	3.3
156.51982	1.1
156.97455	0.5
157.01781	0.6
157.03442	0.7
158.01511	0.7
160.04546	1.3
161.01456	4.6
161.02962	4.9
161.04619	0.9
162.01555	1.1
162.04332	0.8
163.01216	0.7
163.43184	0.4
174.02432	0.8
174.98615	0.8
176.02583	0.9
177.00917	7.6
178.01041	2.3
179.00763	1.4
179.02505	6.6
179.04024	6.0
179.05531	0.7
180.02580	1.7
181.02304	0.4
184.03070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00658	0.2
70.18036	0.8
70.18420	0.3
72.95525	0.1
82.99805	1.0
100.02453	0.3
101.00861	14.3
102.00909	1.3
102.96873	0.2
103.00626	0.2
118.03514	0.4
119.01900	100.0
120.01985	7.6
121.01617	0.8
121.02369	0.3
121.03276	0.1
124.02469	0.4
136.04572	0.2
137.02936	39.5
138.03020	2.7
139.02592	0.3
142.03477	3.2
142.04541	0.3
143.01820	0.4
143.03645	2.5
143.08412	0.2
144.03185	0.9
157.03413	0.3
160.04596	0.9
161.02927	3.5
161.04631	2.5
162.03111	0.2
162.04213	0.8
179.03992	5.0
179.05650	0.7
180.05408	0.2
184.04512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51802	0.4
69.91528	1.8
69.91943	0.8
72.08150	0.4
81.70911	0.4
82.99861	1.2
83.08936	0.4
83.09425	0.4
88.51693	1.1
96.48331	0.4
98.21452	0.5
98.55440	0.3
100.02470	2.7
101.00859	17.0
101.01525	0.9
102.51377	0.4
103.49876	0.4
109.52190	0.6
116.01965	0.5
118.03510	3.8
119.01901	100.0
120.02038	1.5
120.54856	0.4
121.01609	1.0
121.02377	0.7
121.57179	0.4
123.51975	0.6
124.02415	1.9
125.02489	0.7
125.51630	0.6
133.03467	0.3
135.02592	0.4
136.02696	1.0
136.04527	2.7
137.02957	37.7
138.02994	0.5
142.03477	28.6
143.03613	1.5
154.51280	0.4
160.04527	21.6
160.15517	0.3
161.02876	2.0
161.04688	0.7
165.05080	0.8
177.00900	0.7
178.05589	7.2
178.33949	0.4
179.03986	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	160.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28337	0.2
58.96152	0.2
59.06111	0.3
62.45673	0.2
67.05493	0.2
70.17955	1.1
71.23832	0.2
72.08150	0.9
75.47708	0.2
82.99791	1.3
96.91164	0.2
98.97553	0.3
100.02441	1.5
101.00863	19.2
101.77835	0.2
102.00939	0.5
116.98627	0.3
118.03500	4.9
119.01900	100.0
120.01968	2.0
121.01662	0.8
124.02426	2.0
125.01917	0.2
129.51541	0.3
134.99687	0.3
136.02718	0.7
136.04532	4.3
137.02936	35.9
138.03104	0.6
142.03477	31.9
143.03592	1.9
149.45482	0.2
159.04153	0.2
159.06183	0.3
160.04535	29.3
161.02983	2.0
161.04770	1.5
165.05051	1.1
165.44479	0.2
178.05588	8.4
179.03989	3.1
179.05588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75580	0.4
53.03941	0.4
55.05508	0.9
62.52124	0.4
65.03921	0.6
65.29897	0.5
67.05494	6.2
70.06593	0.5
71.71407	0.8
76.93369	0.9
79.05483	9.5
81.03420	0.4
81.07045	7.4
91.05466	23.6
92.05824	0.6
93.07028	3.5
95.04961	1.2
103.05446	1.5
105.07011	23.2
113.02335	1.1
114.05511	0.7
115.05429	4.7
116.06248	2.5
117.07001	55.8
117.95991	0.9
118.06594	0.4
118.07294	1.2
118.07876	0.8
119.08569	3.8
128.06151	0.7
129.06985	10.1
130.07777	7.7
131.08549	83.7
132.08885	3.7
135.96986	0.7
141.01817	2.5
142.07744	0.7
144.05640	0.5
144.09323	9.7
150.02574	0.4
157.10132	4.2
158.05116	0.5
158.10529	0.6
159.08034	3.1
159.11670	100.0
160.07431	0.5
160.11995	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	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05507	0.8
57.07032	0.4
66.51814	0.4
67.05494	3.9
69.70871	0.5
70.06563	0.5
71.71360	0.5
76.93372	3.3
76.93761	0.6
79.05479	3.9
81.07052	2.4
91.05463	14.5
93.07018	1.2
94.94393	1.3
103.05423	1.0
103.36225	0.5
105.07012	21.7
106.07352	1.0
113.02351	1.0
115.05416	3.7
115.97268	0.4
116.06253	2.3
117.07005	30.5
117.95958	2.0
118.07277	0.7
119.08563	10.1
119.46392	0.4
120.08972	0.6
121.97684	0.5
128.06201	2.0
129.06990	15.9
130.07784	5.5
131.08548	47.1
132.08881	1.8
135.96979	1.9
141.01816	3.8
142.07724	1.6
143.08606	2.0
144.05719	1.0
144.09334	25.6
145.09605	1.0
157.10117	4.4
158.98576	0.6
159.08083	6.6
159.11670	100.0
160.07414	0.5
160.12003	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	159.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64523	0.4
53.03940	0.8
55.05507	0.9
65.03924	0.9
67.05495	7.2
71.71373	1.0
79.05476	11.1
81.07042	8.9
91.05464	29.4
93.07028	5.1
95.04983	1.0
103.05446	1.4
105.07009	23.9
106.07343	0.7
113.02341	1.2
115.05444	6.2
116.06269	2.7
117.07000	68.9
117.95954	1.1
118.06611	0.6
118.07284	1.8
118.07803	2.0
119.08556	2.6
129.06981	7.4
130.07770	5.1
131.08543	93.3
132.08870	3.9
135.97011	0.6
141.01799	3.5
141.06938	0.7
142.07733	0.7
144.05679	0.6
144.09309	6.2
157.10120	4.6
159.08148	2.5
159.11665	100.0
160.07567	0.7
160.12021	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05502	0.6
56.58762	0.3
56.96568	0.8
59.93098	0.5
65.03932	0.6
65.18527	0.4
67.05498	3.9
70.05677	2.2
71.04986	0.3
72.08144	8.1
76.93355	2.4
76.98734	0.4
79.05495	2.7
81.07037	2.1
87.00823	0.5
91.05465	19.9
92.05801	0.9
93.07039	1.2
94.94398	0.3
98.21346	0.5
101.60711	0.3
103.05470	1.1
105.07015	23.2
106.07346	1.1
113.02360	0.7
115.05436	6.1
116.06236	3.5
117.07002	42.0
117.95969	1.9
118.07343	1.4
119.08565	10.9
120.08956	0.4
123.08805	0.3
126.12772	1.2
128.06183	1.7
129.06985	21.5
130.07787	18.8
131.08549	89.3
132.07980	0.5
132.08885	3.8
135.97014	1.2
141.01819	2.1
141.07016	0.6
142.07726	2.1
143.08495	1.1
144.09320	21.1
145.09669	1.0
157.10104	4.6
159.08052	1.6
159.11668	100.0
160.07570	0.5
160.12009	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03933	0.8
55.05484	0.7
60.82327	0.7
67.05492	7.4
69.49351	7.2
79.05480	10.8
80.05807	0.7
81.07040	8.0
89.03893	0.7
91.05463	27.4
93.07027	4.4
95.04920	1.0
98.21491	1.3
103.05445	1.9
105.07014	22.6
105.08709	0.9
106.07345	0.9
113.02331	1.7
113.57741	0.8
115.05436	4.6
116.06194	1.2
117.06998	70.2
118.07230	1.3
118.07888	1.2
119.08545	3.3
128.06198	1.0
129.06979	7.6
130.07784	5.0
131.08545	86.9
132.08913	4.1
140.04607	0.7
141.01807	2.9
144.09300	6.5
157.10098	3.6
159.08044	2.6
159.11667	100.0
160.07570	0.9
160.11983	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	159.1165
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03926	0.6
55.05505	0.5
66.70290	0.4
67.05492	3.8
71.70240	0.6
76.93334	0.6
79.05470	3.3
81.07036	2.6
91.05460	13.5
93.07021	1.0
103.05479	0.5
105.07008	22.2
106.07338	0.7
113.02359	0.5
115.05425	4.9
116.06234	2.2
117.06998	40.2
117.96021	0.4
118.07281	0.8
119.08568	8.0
128.06206	1.2
129.02296	0.4
129.06979	13.6
130.07774	10.2
131.08540	68.2
132.08887	2.7
141.01768	1.9
142.07762	1.4
143.08517	1.2
144.05698	1.1
144.09320	19.0
145.09618	0.7
157.10094	4.6
159.08073	7.7
159.11659	100.0
160.10866	0.6
160.12015	4.1
161.05634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05510	0.7
62.29786	0.5
65.03909	0.8
67.05497	7.3
67.21027	0.5
69.47186	5.7
76.93369	1.3
79.05484	9.0
81.07040	6.6
91.05462	26.0
91.07622	0.5
93.07037	3.5
95.04942	1.2
103.05426	1.2
105.07011	20.4
105.91203	0.6
112.87741	0.5
113.02331	0.7
115.05440	5.1
116.06208	2.6
117.07001	62.3
117.95950	0.6
118.07329	2.0
119.08570	3.5
128.06230	0.9
129.06985	8.1
130.07761	8.8
131.08546	88.5
132.08894	3.3
141.01784	2.2
141.06985	0.6
142.07713	0.8
144.05707	0.8
144.09325	7.8
157.10118	3.6
159.08043	1.8
159.11668	100.0
160.12030	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	156.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.9
59.74324	1.2
68.05013	1.2
74.09708	24.1
83.06074	1.4
91.00392	1.1
96.96888	4.1
100.02481	2.2
103.02441	3.0
103.20424	1.2
110.06009	1.7
110.07157	11.7
118.03527	1.3
119.01889	2.9
120.02010	2.5
121.03496	2.2
130.06284	21.5
131.01886	3.2
132.01991	6.8
132.04993	1.7
133.01656	4.3
133.03429	9.6
149.01219	1.4
151.02667	1.3
151.04495	3.2
156.04190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39996	0.6
55.01893	0.6
55.05531	0.9
56.04802	0.7
56.05058	1.8
56.96559	9.1
57.03448	0.8
57.04575	0.8
57.93573	1.2
58.01487	1.4
58.74830	0.5
58.99882	0.9
59.06134	1.0
61.54012	0.6
67.05524	1.0
68.50138	0.5
69.03468	0.6
70.06589	1.4
71.43192	1.4
71.95303	0.9
72.04543	1.3
72.93788	0.9
74.06081	0.6
74.93823	1.5
82.01476	0.7
83.06123	1.0
87.05606	0.8
92.94901	0.8
98.00933	0.9
98.97568	52.7
99.05584	0.7
100.02468	7.9
101.00859	4.7
103.00573	0.7
103.02444	1.4
104.81741	0.6
108.40430	0.6
111.05554	1.8
112.07570	0.9
115.02415	1.6
115.03490	0.7
115.96394	1.0
116.01930	16.9
116.97227	4.9
116.98602	56.7
117.01994	0.9
118.03503	22.6
119.01904	29.2
120.02040	2.5
121.01658	1.0
125.89867	0.6
130.03436	0.7
132.05040	1.0
133.01559	0.7
133.02478	1.0
133.03479	12.2
133.04446	1.3
133.05197	2.4
133.97421	0.9
134.02962	100.0
134.04762	5.8
134.99637	38.9
135.00409	0.6
135.00691	0.7
135.01228	1.0
135.03108	5.2
135.20490	0.6
136.03545	1.1
136.04535	13.4
137.02946	11.3
138.03062	0.9
139.03494	3.3
140.00168	2.5
141.05067	1.4
142.03482	3.1
142.07709	1.0
148.03816	1.0
150.06052	1.1
150.32813	0.5
150.96826	0.9
151.04483	2.4
151.06186	2.0
151.97089	1.6
152.02159	1.4
152.04005	18.3
152.05814	5.0
152.96878	1.8
153.00699	6.6
153.04092	1.3
157.03427	1.5
157.04549	19.4
157.06110	1.0
158.01187	2.9
158.02916	3.1
158.04700	2.1
158.09441	1.7
160.04486	1.3
161.37473	0.6
175.04359	1.3
175.05751	4.0
176.03957	4.5
176.05737	1.6
177.07462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.7
55.05510	0.6
55.93514	0.5
56.96556	6.6
57.03437	2.7
58.99858	4.1
60.95811	0.5
61.02909	1.0
67.01832	0.5
67.05482	0.7
69.03422	1.1
69.96172	0.8
69.99871	2.2
70.95840	1.6
70.99832	1.4
72.04507	1.0
72.93782	4.8
73.02900	2.2
74.09702	1.9
77.00885	4.0
78.52943	2.9
81.01861	0.5
81.03400	0.6
82.01427	6.3
82.99835	1.2
83.00766	0.5
83.04963	0.6
83.06082	1.2
84.01543	0.6
84.08147	0.8
85.01395	1.2
85.02904	1.3
85.07646	0.4
86.52648	0.8
87.53465	1.3
88.96873	1.0
89.00878	0.7
90.94807	1.1
91.02448	0.4
92.52682	1.0
93.01930	0.4
93.04508	0.7
94.22752	0.4
94.99805	1.0
95.01319	1.3
95.01907	1.0
95.06084	1.2
96.96867	0.6
97.02872	0.8
98.09669	1.2
99.04411	0.6
100.02470	32.6
101.00863	17.5
101.02470	1.4
101.53199	0.9
101.92178	0.5
102.00931	0.7
102.02374	0.5
103.02431	5.6
105.00343	1.0
106.42448	0.4
107.53175	0.7
109.02847	0.6
110.07143	10.1
111.04421	0.6
111.98450	1.2
113.00852	11.2
113.53178	0.5
113.96378	1.3
114.00950	1.5
114.04012	3.7
115.01337	0.7
115.02408	2.3
117.01912	0.6
118.01108	0.9
118.03501	18.8
118.45494	0.4
119.01901	100.0
120.01941	2.1
121.01578	0.8
121.03470	3.3
122.53728	0.6
123.01418	0.5
123.04037	0.9
124.02481	2.5
126.04002	0.6
127.03898	0.6
129.99500	0.9
130.06288	2.8
131.01888	93.7
131.96133	2.2
131.97372	1.4
132.01932	9.2
132.05043	13.6
132.95786	2.1
133.01619	2.1
133.03444	15.6
133.05045	0.9
134.03525	0.5
136.02307	0.5
136.04504	0.8
137.02942	32.0
138.06293	0.8
141.05031	1.3
142.03484	36.0
143.03621	0.7
144.53151	0.5
145.03458	1.8
146.99599	0.9
147.01309	0.8
147.05020	0.6
149.01132	0.7
149.02940	25.1
149.97160	4.2
150.02951	2.2
150.06110	7.1
150.96878	4.5
150.98746	0.5
151.04504	5.6
152.53697	0.6
154.03474	4.1
155.01860	7.0
155.03543	1.9
155.06871	0.9
155.11754	1.2
156.02156	0.6
156.04103	9.1
156.07658	1.7
156.13840	0.5
157.03444	0.5
160.04541	11.1
161.02953	0.6
163.04552	0.6
165.02486	0.8
165.05072	1.7
172.04495	0.9
173.02936	11.0
174.03073	0.9
174.06094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00285	2.5
53.03944	4.7
55.01851	3.0
55.05507	20.5
56.05017	1.8
57.03421	2.2
57.07058	2.6
59.04988	9.2
65.03929	24.9
67.01870	1.2
67.02999	1.6
67.05490	11.9
68.05006	3.9
68.05384	0.9
68.05793	0.9
68.99777	1.7
69.03416	4.6
69.04526	1.2
69.07059	17.8
69.54928	4.1
69.55352	4.2
70.06599	4.7
70.94256	10.2
70.95835	2.3
71.04980	28.2
71.94086	5.0
71.95248	2.7
72.08131	2.9
72.08569	1.0
73.06541	22.2
75.04464	1.5
75.75121	1.0
79.05480	35.8
80.05005	2.6
80.05811	1.2
81.03399	1.8
81.07043	100.0
82.06557	2.5
82.07380	2.3
83.04961	14.1
83.06087	2.3
83.08624	3.4
84.08096	1.4
85.06543	1.5
85.07635	1.5
87.04470	1.2
88.95286	2.8
91.05470	12.5
93.03378	6.1
93.07029	47.9
94.06567	2.2
94.07328	1.2
95.01301	1.5
95.04951	10.3
95.06069	4.5
95.08588	13.3
96.04514	1.2
96.45705	1.0
97.02806	1.1
97.03962	1.1
97.06506	15.9
98.20692	1.7
105.04495	1.1
105.07017	4.0
107.04988	6.7
107.08579	45.1
108.04410	1.6
108.05617	2.0
108.08086	3.5
108.08847	1.7
109.06491	3.8
109.07641	3.0
109.10144	11.4
109.27998	1.1
110.03618	6.8
110.06055	1.2
110.07156	3.1
111.04429	42.8
111.08046	11.1
111.09174	3.5
111.96856	4.5
111.98463	1.1
112.04778	1.7
112.07600	1.4
112.08740	8.5
112.96677	2.5
113.05858	2.0
119.06013	1.0
119.08542	1.2
121.06479	3.8
125.04342	1.7
125.05972	16.2
125.06940	1.6
125.09633	5.7
126.05511	2.9
126.09161	1.7
126.10226	1.9
129.97902	5.0
130.96289	1.6
135.04372	3.5
135.08046	4.8
135.11679	26.6
136.03909	2.0
136.04926	1.5
136.07555	5.8
136.08675	4.3
138.03079	2.3
138.06720	1.6
148.97348	1.8
149.11078	1.1
153.01843	3.3
153.05469	14.6
153.06511	1.3
153.07507	3.5
153.09081	10.0
153.11330	14.3
153.12715	16.9
154.04953	5.5
154.08618	7.1
154.09731	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00296	2.2
53.03928	4.0
55.01856	2.1
55.05496	12.9
57.03411	1.7
57.07071	2.3
59.04998	8.3
65.03930	10.2
67.05498	8.3
68.05022	2.2
69.03408	1.5
69.07064	11.5
70.06563	3.3
70.94227	3.9
71.04983	32.4
71.05382	1.5
71.94073	3.6
72.08138	1.7
73.06547	21.9
79.05480	32.3
79.67156	0.8
80.04994	1.6
80.05827	1.2
81.03383	1.1
81.07042	100.0
82.07358	2.7
83.04961	4.2
83.06088	1.3
83.08578	1.2
85.06532	1.8
85.07657	1.6
91.05472	9.9
93.03381	4.7
93.07027	44.8
95.04973	6.5
95.06065	3.0
95.08589	9.9
97.06509	11.8
97.07609	1.2
105.07005	2.9
107.04920	3.4
107.08578	39.7
108.05605	1.4
108.08870	1.3
109.06493	2.8
109.07613	2.5
109.10138	9.3
110.03607	1.4
110.07190	1.4
111.04423	19.3
111.08080	7.3
111.09177	2.6
111.96848	1.6
112.08707	3.2
112.96703	1.8
113.05841	3.9
116.36443	0.9
117.13688	0.9
119.08568	1.3
123.52184	0.9
125.05977	7.6
125.09560	2.3
126.05499	1.2
130.96230	1.1
135.04378	3.1
135.08061	2.3
135.11673	23.3
136.07550	3.1
136.08641	2.0
136.11920	1.0
148.97351	2.9
153.01765	2.1
153.05443	3.9
153.07478	1.9
153.09064	3.5
153.10234	1.7
153.11328	7.1
153.12712	10.9
154.04961	2.4
154.08598	1.4
154.09718	2.2
158.33388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00289	2.0
53.03931	3.3
53.92079	0.8
55.01864	1.3
55.05503	16.0
56.05017	0.9
57.03416	2.0
57.07057	2.2
59.04997	8.1
62.04809	0.8
65.03927	7.3
67.05488	6.3
68.05003	1.3
68.96315	0.9
69.03410	2.5
69.04534	1.6
69.07053	13.4
70.06570	3.0
70.38441	3.6
70.94241	2.7
71.04982	31.4
71.06091	0.8
71.94091	15.2
72.08142	1.2
73.06544	21.6
79.05016	1.8
79.05481	27.4
81.04507	0.8
81.07044	100.0
82.07376	2.7
83.04963	7.9
83.08604	2.2
85.06532	1.3
85.07642	0.9
89.95124	1.7
91.05464	10.3
93.03378	3.4
93.07030	42.1
95.04955	5.9
95.06078	1.9
95.08585	9.1
97.04005	1.6
97.06525	11.6
105.06982	2.5
107.04928	3.6
107.08578	40.3
108.08920	1.0
109.06470	2.9
109.07625	2.8
109.10135	9.7
110.03616	0.9
110.07154	1.1
111.04435	12.6
111.08078	7.6
111.09217	1.4
111.96859	1.5
112.08693	2.9
112.35134	0.8
112.96703	5.4
113.05836	2.7
119.08569	1.8
125.05967	5.0
125.09590	2.0
130.97714	3.3
135.04453	2.0
135.08009	2.1
135.11682	22.3
136.07614	1.6
136.08681	2.6
136.11957	1.0
140.40796	0.8
148.97360	1.7
153.05531	4.3
153.07828	0.8
153.09088	2.8
153.11342	6.9
153.12718	12.7
154.04956	1.4
154.08562	1.4
154.09686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00294	1.6
53.03925	4.4
53.22011	2.0
55.01862	2.7
55.05500	14.1
56.05000	2.1
57.03425	2.3
57.07058	3.6
59.04971	8.0
59.89910	1.6
64.56799	1.9
65.03922	17.4
66.74892	1.7
67.05483	13.9
68.05011	4.5
68.13631	1.7
68.96329	3.2
69.03402	5.6
69.04526	2.4
69.07047	15.1
70.04597	9.9
70.06563	5.5
70.94229	5.0
71.04625	1.9
71.04984	32.3
71.94081	4.2
73.06541	21.6
79.05474	33.8
81.04533	2.1
81.07041	100.0
83.04966	9.2
83.06065	2.3
83.08601	2.3
91.05457	11.5
93.03384	9.4
93.07030	42.4
94.06550	3.2
95.04941	5.9
95.06060	3.8
95.08588	9.1
96.01602	1.7
97.06519	17.3
105.06995	2.5
107.04897	6.9
107.08574	41.0
108.08069	2.5
109.06509	4.6
109.07578	3.4
109.10126	11.0
110.03608	4.2
110.07164	2.0
111.04429	33.3
111.08067	14.0
111.09215	3.5
112.08694	6.2
113.05840	5.4
120.60633	1.9
124.75864	1.7
125.05962	13.4
125.09568	4.8
126.05383	1.7
129.97894	2.8
131.87975	1.7
135.04416	4.0
135.08038	5.5
135.11673	25.8
136.07539	4.0
136.08607	1.9
137.07153	2.0
141.03842	1.8
148.97346	5.7
153.01877	2.1
153.05408	7.8
153.09135	8.5
153.11313	13.6
153.12695	11.8
154.04922	3.4
154.08595	4.2
154.09734	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	151.1479
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.42481	0.3
52.71406	0.3
53.03937	0.9
55.01867	0.6
55.05498	7.0
57.03415	0.6
57.07069	1.6
61.95687	0.3
65.03932	2.3
67.05493	87.8
68.05825	2.2
68.07115	0.3
69.03405	0.4
69.07054	4.5
70.07356	0.3
71.04942	0.3
71.08613	0.8
79.05476	7.4
80.06239	0.3
81.03416	2.5
81.07042	45.0
82.07374	1.7
83.04958	0.9
83.08620	1.2
85.00657	0.3
88.87115	0.3
91.05467	3.9
93.07034	5.7
94.04171	1.1
94.07327	0.5
95.04955	4.0
95.08589	100.0
96.04467	0.3
96.08347	0.4
96.08926	3.6
105.07012	4.7
107.08581	4.6
109.06517	2.2
109.10136	48.6
110.10488	2.4
121.02879	0.4
123.04435	0.6
123.08041	1.1
123.11702	1.4
124.03944	0.5
124.07634	0.6
133.10106	4.0
134.05963	0.4
134.10440	0.4
151.02835	0.5
151.03886	0.7
151.04959	0.4
151.07513	1.2
151.11160	17.9
151.14780	8.2
152.01680	0.7
152.07014	2.1
152.11494	0.9
152.15190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
51.37651	0.8
53.03917	2.6
55.01849	2.0
55.05497	13.7
57.03429	4.6
57.07056	2.6
59.04969	1.4
62.17193	1.0
65.03931	6.4
67.05496	37.1
68.54897	0.8
68.99758	1.0
69.03398	3.0
69.07056	55.3
70.07414	1.0
70.31350	3.4
70.94250	2.2
71.04971	3.3
71.94077	3.5
79.05480	34.6
80.70981	0.8
81.07044	43.7
82.07319	1.0
82.29645	0.8
83.04962	9.7
83.08596	7.2
85.06518	2.5
91.05475	5.7
93.03376	3.0
93.07029	49.3
94.07352	1.1
95.04952	2.8
95.08594	21.0
97.06517	22.8
98.06873	1.0
98.20774	1.1
105.07001	1.9
107.04922	2.2
107.08576	55.8
108.04482	1.5
108.08919	1.8
109.06499	2.2
109.10139	35.6
110.03599	2.6
111.04464	10.1
111.08056	8.8
112.04752	1.2
112.96701	1.3
117.06962	0.9
117.61713	0.8
123.11764	0.7
125.06000	4.7
125.06892	0.8
125.09605	1.5
126.05508	2.0
126.06319	2.4
130.97748	1.2
133.10103	1.1
135.04367	1.0
135.08032	2.0
135.11673	100.0
136.03932	1.7
136.07567	1.6
136.11995	3.9
138.03093	1.0
138.05045	1.6
153.04303	1.5
153.05450	5.7
153.07402	5.8
153.09258	4.0
153.12721	81.0
154.04936	3.5
154.08620	1.5
154.13036	3.0
154.15930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	0.7
55.05499	7.5
57.03426	0.4
57.07066	2.0
65.03922	2.7
67.05488	87.2
68.05822	3.0
69.03416	0.8
69.07053	5.1
70.07494	1.8
71.08594	0.5
76.66727	0.3
78.82838	0.3
79.05476	7.2
81.03418	2.1
81.07037	45.6
82.07377	2.0
83.04972	1.4
83.08604	1.2
89.04548	0.3
91.05458	4.7
93.07021	6.1
94.04156	1.3
94.07341	0.3
95.04956	4.2
95.08583	100.0
96.04489	0.3
96.08033	0.4
96.08260	0.3
96.08914	4.7
98.21366	0.3
103.05418	0.3
105.07002	5.9
106.04116	0.3
107.08562	5.6
108.04472	0.3
109.06488	2.3
109.10130	49.6
110.10469	2.5
112.80685	0.3
121.10106	0.3
123.04390	0.3
123.08052	0.9
123.11671	1.3
124.03901	1.0
124.07602	0.6
131.08594	0.4
133.06482	0.3
133.10077	3.8
134.10442	0.4
151.02783	0.7
151.03896	0.9
151.07521	1.0
151.08623	0.5
151.11147	17.4
151.14775	9.2
152.01633	0.8
152.07037	2.1
152.11501	1.2
152.15137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	0.5
55.01852	1.0
55.05503	1.9
57.03422	0.5
57.07067	0.9
59.05002	1.2
65.03917	0.9
67.02956	0.2
67.05495	7.6
68.05015	0.9
68.05798	0.3
68.99760	0.2
69.03418	1.5
69.07056	1.5
71.04980	0.3
79.05480	5.0
80.05011	0.5
81.03391	0.8
81.04515	0.3
81.07041	12.6
82.07373	0.5
83.04974	0.6
83.06090	0.5
84.56618	0.3
86.81959	0.2
89.45479	0.2
91.05467	5.5
93.06445	0.3
93.07024	4.8
95.04951	4.0
95.08582	4.5
96.03466	0.2
96.04488	0.4
96.08141	0.5
97.06525	1.6
97.07632	0.3
103.05464	0.3
105.07015	11.0
105.07722	0.6
106.06535	0.4
107.04923	0.7
107.08575	5.6
108.05702	0.7
109.06499	12.9
109.07639	0.6
109.09406	0.5
109.10139	8.9
110.07146	1.1
110.10453	0.5
111.04411	0.3
111.07926	2.6
112.72982	0.2
119.04912	0.3
119.06089	0.3
121.06482	1.1
121.10118	2.0
123.04395	1.1
123.08059	4.9
123.11702	3.3
124.03923	1.2
124.07604	0.6
124.08612	0.5
130.99599	0.3
131.08551	0.7
133.06468	1.0
133.10110	4.5
134.05962	0.3
136.08830	2.4
151.02771	0.6
151.03886	2.1
151.07735	2.4
151.11156	100.0
152.01630	0.7
152.07019	1.9
152.08098	0.4
152.11514	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	151.1115
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03927	1.3
55.01849	1.5
55.05495	2.2
56.05021	0.5
56.96548	0.8
57.03411	1.4
57.07052	1.0
59.04985	1.5
63.46703	0.4
65.03917	1.6
67.05140	0.5
67.05495	9.7
68.05019	2.9
69.03416	1.6
69.07056	2.5
70.05298	0.5
70.98653	1.5
79.05480	6.9
80.05008	1.1
80.05819	0.5
81.03402	1.4
81.04504	0.6
81.05879	0.5
81.07044	17.0
82.06558	1.0
83.04945	1.1
83.06084	1.8
85.02875	0.5
91.05470	8.1
93.07031	5.1
95.04949	6.0
95.06044	0.5
95.08585	5.2
96.04489	0.7
96.05599	0.5
96.08112	0.7
97.06470	1.5
97.07650	1.1
103.25761	0.4
105.03368	1.2
105.07011	13.8
106.06558	1.0
106.07260	0.6
107.04939	1.6
107.08575	9.8
108.02061	0.5
108.04486	1.0
108.05668	1.0
109.06501	15.8
109.07647	2.0
109.10144	11.3
110.06078	0.6
110.07138	4.9
111.04440	0.9
111.07929	7.2
119.04907	1.4
119.06130	0.6
121.06485	1.7
121.10120	2.9
123.03456	0.5
123.04407	2.1
123.08058	8.2
123.10838	0.9
123.11675	4.9
124.03927	1.8
124.07603	1.1
124.08665	1.1
131.08524	0.5
133.06476	1.2
133.10107	5.2
134.06007	0.9
134.07065	1.0
136.05205	0.5
136.08809	3.2
141.05435	0.5
151.02829	1.3
151.03883	4.9
151.04991	1.3
151.07663	4.2
151.09909	4.5
151.11154	100.0
152.01631	1.2
152.07037	4.1
152.08101	0.8
152.11555	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	151.1115
Annotation	4-tert-Butylphenol
Peak:m/z	Relative Intensity
53.03928	0.9
55.01851	0.8
55.05501	1.7
55.85817	0.4
57.03419	0.8
57.07063	4.1
64.94931	0.3
65.03916	1.2
66.04700	0.9
67.02573	0.3
67.05141	0.5
67.05496	10.2
68.05030	0.4
69.03421	0.4
69.07049	0.8
69.84385	1.5
69.84797	0.5
71.04962	0.4
75.72644	0.3
79.05486	3.6
80.04975	0.4
80.69902	0.4
81.03409	13.1
81.07047	10.0
81.07456	0.2
81.07529	0.3
82.07359	0.4
83.04964	1.5
85.06520	0.6
85.74510	0.3
87.09483	0.3
91.05462	5.6
93.07030	2.8
94.04176	8.0
95.04955	16.9
95.08578	3.1
96.04468	0.5
96.05285	0.5
98.20699	0.7
105.07016	5.0
107.04949	0.8
107.08579	3.7
109.06487	2.7
109.10139	2.1
123.04391	0.5
123.08074	1.7
123.11697	2.4
124.03946	0.8
124.07572	0.8
133.06456	0.5
133.10104	4.5
137.04614	0.4
151.02861	0.9
151.03949	0.9
151.07545	1.4
151.11160	100.0
152.01628	0.6
152.07022	1.9
152.11505	5.3
156.91594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
50.38409	0.9
53.03928	3.5
55.01861	5.1
55.05505	18.9
57.03428	10.5
57.07056	2.6
65.03928	4.6
67.05493	72.1
68.05805	1.8
69.03426	14.2
69.07041	8.3
69.95891	5.2
71.04969	4.9
71.53562	0.9
79.05482	45.5
80.05787	1.8
81.03397	1.3
81.07043	73.8
82.07370	2.6
83.04967	32.6
83.08582	1.2
85.06519	1.5
91.05466	55.2
92.05790	1.8
93.07028	52.0
94.07363	1.5
95.04956	27.0
95.08589	16.1
97.06499	3.6
97.53484	1.2
105.07015	79.5
106.06551	0.9
106.07349	2.5
107.08578	76.5
108.08910	2.6
109.06502	29.9
109.10136	35.8
110.69662	0.9
123.04361	1.0
123.08082	6.3
123.08844	1.3
123.11681	9.9
128.55499	1.0
131.08560	5.4
133.10109	69.3
134.10448	2.5
151.02815	1.8
151.03926	1.4
151.07570	2.3
151.11157	100.0
152.07002	3.8
152.11476	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03922	2.3
55.01851	2.4
55.05500	5.1
65.03933	60.9
67.05491	13.7
68.99801	0.9
69.07059	7.6
71.71045	1.0
71.71413	1.3
79.05485	24.4
81.03458	0.9
81.07046	35.8
83.08611	2.5
91.05464	11.1
93.03391	11.4
93.07032	37.3
94.07344	0.8
95.04951	2.8
95.08591	7.2
98.03667	3.3
105.07002	3.5
107.04949	5.8
107.08581	27.1
108.04462	1.6
108.08855	0.9
109.06509	1.5
111.04430	11.9
111.42013	0.8
120.05694	1.0
121.02847	57.3
121.03960	15.1
121.06477	1.4
121.10130	9.3
122.03168	3.1
131.08539	1.1
149.02324	100.0
149.09637	4.4
149.10649	1.0
149.13246	15.6
150.02687	6.3
150.03708	1.2
167.03413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.22997	0.9
51.03706	0.8
53.03925	4.1
55.01854	3.4
55.05491	1.9
57.71061	0.8
59.11254	0.8
65.03929	72.2
66.04250	2.9
67.05499	1.3
69.03403	2.6
70.75380	2.2
79.05476	10.0
81.04536	1.3
81.07030	1.6
84.77002	0.8
91.05463	38.3
91.06040	2.1
92.05819	1.6
93.03384	15.9
93.07029	21.2
94.06556	1.5
95.04931	4.0
98.03642	2.7
102.20926	0.9
103.04893	1.2
103.05453	9.2
105.04538	1.6
105.07007	24.4
105.79389	0.9
106.07808	1.5
107.04919	1.4
107.08577	1.9
109.06482	2.5
109.07609	2.7
110.08385	2.0
111.04420	12.3
114.33228	1.0
115.05466	6.1
116.06214	16.9
119.08526	5.7
120.58071	0.9
121.02839	66.5
121.03953	17.0
121.06474	13.7
121.10121	20.2
122.03165	3.7
122.07072	1.5
122.10503	1.6
123.08043	4.4
129.06972	4.7
131.04869	2.4
131.08536	12.9
133.06563	1.5
133.07578	2.6
134.07246	3.7
147.08049	2.3
149.02318	100.0
149.05952	3.0
149.09590	40.0
150.02667	7.4
150.05417	1.0
150.09003	1.1
150.10135	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	149.1322
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03151	1.3
53.03932	5.9
55.01867	2.5
55.05499	9.5
65.03930	59.6
65.92191	1.4
66.04251	3.2
67.05495	25.0
69.07057	17.4
70.43769	6.9
79.05481	48.4
81.07042	65.3
82.07376	2.2
83.08632	2.2
89.39069	1.3
91.05475	18.5
93.03395	15.8
93.07030	61.4
94.07394	1.7
95.04948	6.4
95.08594	10.7
98.03648	3.8
105.04504	2.3
105.07011	6.3
106.21854	1.5
107.04934	12.7
107.08582	51.1
108.08888	2.6
111.04436	13.9
119.08540	2.3
120.04458	2.8
120.05657	2.7
121.02847	55.6
121.03958	16.4
121.06418	2.2
121.10127	15.3
121.95775	1.6
122.03161	1.9
149.02316	100.0
149.05893	2.3
149.09628	11.7
149.13231	30.6
150.02654	6.6
150.03712	1.7
150.09102	1.6
156.34067	1.6
163.47101	1.4
166.54625	1.4
167.03404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.3
50.96408	1.1
51.02371	2.1
53.03939	15.1
55.01857	12.7
65.03932	53.1
66.04249	2.4
67.05511	1.4
70.88040	1.0
70.88351	1.8
71.46027	1.0
77.03908	2.7
78.04708	5.9
79.05473	5.2
80.66037	1.0
81.03391	2.1
89.03892	1.8
90.04267	0.9
91.05466	57.7
92.05791	1.9
92.59097	1.0
93.03389	12.5
93.07033	22.9
94.25009	1.0
95.04401	1.8
95.04955	24.4
98.03635	2.6
103.05444	8.7
105.04476	5.2
105.07001	4.0
106.04157	11.8
106.04824	1.5
107.04913	1.7
107.08554	3.7
110.08402	1.6
111.04420	10.5
115.09290	0.9
119.04917	1.1
121.02842	62.4
121.03951	14.7
121.06471	22.4
121.10120	3.7
122.03175	2.9
122.06979	1.3
123.33775	1.0
123.64082	1.0
131.04906	1.4
131.08563	1.3
131.36938	1.0
134.03607	3.2
149.02319	100.0
149.05949	30.8
149.06865	1.1
149.09605	11.0
150.02646	6.6
150.06432	1.3
167.03365	2.3
169.03435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01580	1.3
50.96408	1.1
51.02371	2.1
53.03939	15.1
55.01857	12.7
65.03932	53.1
66.04249	2.4
67.05511	1.4
70.88040	1.0
70.88351	1.8
71.46027	1.0
77.03908	2.7
78.04708	5.9
79.05473	5.2
80.66037	1.0
81.03391	2.1
89.03892	1.8
90.04267	0.9
91.05466	57.7
92.05791	1.9
92.59097	1.0
93.03389	12.5
93.07033	22.9
94.25009	1.0
95.04401	1.8
95.04955	24.4
98.03635	2.6
103.05444	8.7
105.04476	5.2
105.07001	4.0
106.04157	11.8
106.04824	1.5
107.04913	1.7
107.08554	3.7
110.08402	1.6
111.04420	10.5
115.09290	0.9
119.04917	1.1
121.02842	62.4
121.03951	14.7
121.06471	22.4
121.10120	3.7
122.03175	2.9
122.06979	1.3
123.33775	1.0
123.64082	1.0
131.04906	1.4
131.08563	1.3
131.36938	1.0
134.03607	3.2
149.02319	100.0
149.05949	30.8
149.06865	1.1
149.09605	11.0
150.02646	6.6
150.06432	1.3
167.03365	2.3
169.03435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0602
Annotation	Glutamate
Peak:m/z	Relative Intensity
53.03943	0.5
53.65934	0.4
55.01863	0.5
56.05022	6.4
56.96559	0.8
57.03415	0.9
60.04505	0.9
61.08654	0.4
64.85603	0.4
65.03931	6.7
66.61550	0.4
67.05485	0.5
69.03412	0.6
69.51103	4.4
71.94258	0.4
84.04489	100.0
84.08111	0.6
85.02890	3.0
85.04817	2.1
85.06528	1.4
88.03996	1.2
88.07615	0.9
93.03382	1.7
100.02480	0.7
102.05525	16.4
102.09161	0.7
103.05436	0.5
110.02118	0.5
111.04438	1.7
120.04453	0.5
120.05251	0.4
121.02859	9.0
121.03986	2.1
130.04990	8.7
133.03433	1.1
139.63512	0.4
148.03879	0.6
148.06001	0.6
149.02315	15.6
161.02811	0.5
165.26784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.165
Annotation	Spermidine
Peak:m/z	Relative Intensity
50.61208	0.6
54.20673	0.7
58.06587	8.3
71.65379	0.8
71.65702	0.8
72.08140	100.0
73.08470	2.3
75.08865	0.6
75.09235	2.8
75.68566	0.6
84.08120	12.3
86.06064	1.1
91.05458	11.9
93.26011	0.6
100.04790	1.0
102.85278	0.6
112.11219	22.8
113.11563	1.1
118.52689	0.6
119.04917	10.5
129.13834	2.6
135.18909	0.6
146.05966	1.2
146.16492	1.3
147.04344	4.2
157.35541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	2.4
55.05496	3.4
64.92789	2.4
65.03930	7.1
67.05487	12.0
69.07046	3.7
70.13429	4.7
77.91416	1.2
79.05481	13.4
81.07049	11.7
82.38359	1.2
91.05463	100.0
92.05802	4.4
93.07037	8.2
95.04952	2.2
103.05459	3.1
105.07010	58.1
106.07324	2.1
117.07017	5.8
119.04925	42.6
119.08559	38.8
120.04404	1.3
120.05214	2.6
120.08098	1.4
120.08904	2.3
123.96439	2.7
129.06958	1.7
132.09375	1.1
145.10127	2.3
147.04408	15.7
147.05458	2.6
147.08029	5.8
147.09045	1.3
147.11667	21.3
147.12804	0.8
148.03893	2.5
148.07451	1.7
148.11966	2.0
150.42293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01849	2.9
55.05502	21.8
56.05013	2.3
59.04991	2.3
69.03416	13.4
69.07056	2.0
70.06567	2.2
70.12241	2.4
70.12649	2.0
71.01344	0.8
71.04967	0.9
72.08150	5.7
77.65012	0.7
80.73724	0.8
81.07435	0.9
83.06091	1.2
83.08606	51.4
84.04485	1.4
84.08937	1.9
85.02888	3.8
97.02886	10.4
97.10151	6.9
98.06034	3.2
98.21416	1.5
101.07101	1.0
101.95000	1.1
102.05521	1.4
119.01903	1.5
121.00795	0.9
125.02322	9.2
125.09616	0.9
126.05466	1.1
126.12775	1.9
128.06236	5.0
134.35999	0.8
139.01796	1.9
143.03375	100.0
143.08466	1.9
144.03709	4.4
144.06548	2.4
144.08047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.60183	0.6
55.01855	2.8
55.05498	4.6
56.05019	2.2
56.05259	0.5
56.84450	0.5
57.03428	0.9
57.07067	4.4
58.05326	0.6
59.04983	1.3
60.04509	1.3
60.95800	0.6
67.05486	2.2
68.99761	0.5
69.03416	12.0
69.07052	1.2
70.06564	2.0
71.01346	1.2
71.04979	22.1
71.69650	0.5
71.70039	0.6
72.08137	4.3
73.06537	2.0
79.05473	2.0
81.07068	0.6
83.01313	0.6
83.04949	3.3
83.08593	1.5
84.04476	1.0
84.08144	0.5
85.02523	0.4
85.02895	4.2
85.06528	8.1
91.05434	0.6
97.00787	0.6
97.02872	10.3
97.06500	0.8
97.10172	2.7
98.06037	4.1
98.09658	0.8
101.95020	1.9
102.05504	1.0
102.96867	0.6
107.08578	5.5
115.05439	1.2
119.01960	0.9
119.96057	1.3
121.00745	1.0
125.02329	10.2
125.09613	3.0
126.02723	0.5
126.05534	0.8
126.12743	2.6
128.06192	6.6
137.97136	0.7
139.01782	2.3
143.03371	100.0
143.08589	1.7
143.10698	0.9
144.03714	4.7
144.04701	0.9
144.06514	2.6
144.08000	1.3
144.10228	0.8
144.13857	0.7
145.06500	0.7
157.64458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39592	0.9
56.96557	36.1
57.27144	0.8
61.55890	0.8
63.72091	0.7
70.07899	4.8
71.95245	5.8
94.00235	0.8
98.21190	2.2
98.97565	100.0
99.97929	1.3
116.98602	80.6
117.98917	0.8
134.99635	41.1
137.00031	0.8
137.20576	0.8
140.00130	1.9
153.00677	4.9
158.01251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07489	2.3
62.77663	2.3
62.98898	2.3
71.12062	5.9
93.61313	2.4
101.00864	21.1
113.87088	2.3
114.30090	2.3
118.03517	10.2
119.01083	5.7
119.01909	100.0
120.01981	3.4
124.61452	2.4
136.04543	7.3
137.02945	38.2
142.03499	19.1
160.04532	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89755	1.4
56.20182	1.6
58.99851	1.9
66.50172	1.5
69.53641	14.7
69.53973	1.9
70.99843	2.1
77.00891	2.1
85.02886	2.0
86.15063	1.4
89.00867	1.6
100.02460	5.9
101.00873	19.9
112.66479	1.5
116.76864	1.5
116.98523	2.2
118.03497	5.2
119.01906	100.0
131.01895	2.5
135.72017	1.5
136.04503	2.1
137.02939	31.7
142.03481	10.4
143.01898	1.7
143.03377	5.7
143.92526	1.6
145.78069	1.6
157.80345	1.8
160.04575	3.9
161.02919	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.5
64.57318	2.5
68.56079	2.6
68.99776	6.3
70.22942	5.3
70.23347	8.6
75.04464	6.3
82.99841	3.0
100.02455	7.4
101.00880	17.9
102.02237	3.5
103.01338	5.0
109.52891	3.7
114.52136	2.8
118.03503	11.3
119.01904	100.0
119.02732	6.7
120.01959	3.6
124.02464	3.9
125.02575	4.0
129.01880	2.5
131.01857	4.3
136.04512	6.0
137.02927	37.8
142.03474	24.4
143.03413	12.3
160.04576	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	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03933	2.7
54.03454	1.5
55.01861	8.0
55.05493	4.2
56.03755	0.7
56.05024	3.6
56.96553	3.9
57.04551	0.6
57.93540	0.6
58.06576	0.5
59.04992	0.5
59.06091	1.3
65.03927	15.9
67.01846	4.7
67.05489	5.8
68.05009	1.0
68.99776	12.1
69.03407	4.3
69.07059	0.8
70.06574	3.2
70.25659	1.1
70.26057	0.8
71.01324	2.5
71.06092	1.7
71.95237	0.4
79.05473	0.8
80.04996	0.6
80.53454	0.5
81.04501	1.8
82.02902	1.0
83.04961	7.8
83.06070	3.1
84.04484	1.3
91.05429	0.5
93.03384	10.5
93.07013	1.4
94.06557	0.9
95.04937	3.1
95.06080	2.4
95.08546	0.6
96.04491	1.0
96.05595	2.2
97.02866	3.4
97.04130	0.4
97.04803	1.3
97.06437	1.2
97.07645	1.1
98.06040	0.5
98.07159	5.4
98.97560	7.9
98.98452	3.3
99.00795	0.7
99.05547	2.1
111.04419	35.8
111.69791	0.5
112.04749	1.2
112.07557	1.2
112.08694	1.7
113.07101	1.7
116.97235	0.8
116.98591	10.3
121.02846	2.5
121.03956	0.8
122.06285	0.6
122.07103	2.8
123.05534	4.6
134.99626	7.4
139.03871	100.0
139.05789	9.7
139.09753	3.9
139.11252	0.6
139.12270	0.9
140.03337	0.8
140.04236	5.0
140.07100	0.9
140.08145	5.4
141.06592	0.8
153.00650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03927	0.6
55.01868	0.2
56.96544	0.7
57.03409	0.4
62.63737	0.2
65.03938	1.2
67.05493	1.1
69.03386	0.4
70.45191	0.4
73.02904	0.3
78.03432	0.6
79.04203	0.4
81.03381	0.3
82.02692	0.2
84.02432	0.2
85.01379	0.3
87.01871	0.3
91.05485	0.3
92.04987	4.1
92.05813	1.0
93.05782	1.2
94.06557	21.5
95.06873	0.6
96.04480	4.1
97.02876	0.5
98.21402	0.2
98.97598	0.2
100.02433	0.5
101.00890	0.4
103.02438	2.0
105.51635	0.3
110.06029	19.1
111.02937	0.8
111.04422	0.3
111.06353	0.6
111.93218	0.2
115.02415	0.9
116.98588	0.2
118.03497	0.4
119.01911	1.1
120.05249	0.4
121.03426	1.0
131.01877	0.8
133.01723	1.5
133.03448	8.6
134.03671	0.4
138.05482	100.0
138.92896	0.2
139.05861	4.1
143.01933	0.3
145.03450	0.3
151.02728	0.4
151.04495	2.2
154.04964	1.1
156.05037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
52.01899	0.3
53.03927	0.9
55.01852	0.7
55.05502	0.4
56.05024	0.6
56.96547	0.4
65.03926	2.1
67.01826	0.4
67.05492	1.6
68.05006	1.3
68.99767	1.0
69.03417	0.6
69.04533	0.7
70.02935	0.4
70.06577	0.8
70.94657	0.8
72.04489	0.6
78.03442	3.4
79.04210	1.7
79.21361	0.2
80.05001	1.4
81.04515	0.5
81.07044	0.3
82.02911	0.3
82.06554	1.0
83.04954	0.7
83.06081	1.1
87.48579	0.3
92.05016	0.3
93.03368	1.0
93.04534	0.3
93.05764	0.4
94.06555	1.6
95.04961	0.7
95.06071	0.5
96.04475	24.1
97.04019	0.3
97.04803	0.6
97.07629	0.7
98.04811	0.6
98.07163	0.5
98.98432	0.6
106.02888	0.7
108.04456	5.8
109.05238	0.7
110.06029	2.3
110.09679	0.3
111.03179	1.1
111.04416	3.5
111.05531	1.7
111.09180	0.3
112.08710	0.4
120.04430	0.5
120.05556	0.8
121.02873	0.7
121.03892	0.3
121.07600	0.6
124.03925	4.2
138.05476	100.0
138.09093	1.4
138.10237	0.9
139.03883	8.9
139.05815	3.7
139.09732	0.9
152.91438	0.2
154.04950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	0.4
56.96547	0.8
57.03414	0.7
57.90010	0.2
65.03927	1.2
67.05486	1.1
69.03394	0.6
71.68328	0.3
73.02184	0.2
73.02896	0.4
74.06011	0.3
76.78139	0.2
77.00899	0.3
78.03416	0.5
79.04211	0.4
81.03396	0.3
83.47729	0.2
84.01495	0.2
85.01395	0.5
85.02875	0.3
87.01890	0.3
88.02692	0.2
91.67935	0.2
91.83305	0.2
92.04991	3.6
92.05798	1.7
93.05772	1.2
94.02647	0.4
94.06552	21.6
95.06876	0.7
96.02414	0.2
96.04481	3.9
97.02892	0.8
99.01995	0.2
100.02477	0.7
101.00844	0.4
102.02359	0.2
103.02441	2.2
103.03119	0.3
105.02872	0.3
105.51658	0.2
110.06021	18.4
111.02901	0.4
111.04404	0.2
111.06369	0.4
113.00846	0.2
115.02425	1.2
116.98609	0.3
117.02860	0.3
118.03511	0.5
119.01907	1.4
120.05257	0.6
121.01632	0.2
121.03463	1.8
124.40114	0.2
131.01880	0.8
133.01662	2.1
133.03444	9.7
134.03560	0.6
136.03874	0.2
137.02898	0.2
138.05476	100.0
139.04921	0.3
139.05832	4.3
143.01918	0.3
144.05086	0.2
151.02658	0.6
151.04503	2.6
152.04608	0.3
153.62010	0.2
154.04947	0.7
156.04997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
52.36908	1.0
53.03929	5.6
54.03454	3.1
55.01854	3.3
55.05493	5.1
55.76711	1.4
56.03779	1.4
65.03919	6.1
66.04704	4.6
67.05494	43.1
68.05009	4.2
69.03407	3.5
69.04543	5.2
69.07045	4.2
69.69761	10.0
70.06578	2.1
72.04491	4.5
76.04477	1.0
79.05471	15.5
81.03394	4.8
81.04531	10.6
81.07042	32.2
82.06570	3.3
83.06115	2.6
90.48020	1.2
91.05464	34.8
92.04987	2.2
92.05797	1.8
93.04484	1.7
93.07030	16.2
94.02910	1.6
94.04173	27.0
94.06539	3.1
94.07806	1.7
95.04951	12.4
95.06072	2.7
95.08586	30.3
96.04469	3.5
96.05606	4.0
96.08916	1.1
97.06375	18.8
97.07643	4.2
98.04778	4.2
99.23600	1.2
103.05477	1.3
104.06223	2.1
105.04556	2.2
107.04932	23.3
107.08554	2.0
108.04464	1.1
109.06516	9.9
109.07623	3.0
109.10137	37.9
110.01493	1.1
110.06045	6.8
110.07150	12.9
110.09619	1.4
110.10435	1.8
111.05540	7.0
111.09182	1.9
117.07006	3.2
119.04899	3.1
119.08557	18.7
120.04455	5.5
120.05595	2.6
121.06477	8.1
121.07536	2.0
122.03625	39.6
122.07266	100.0
123.03916	1.5
123.07610	3.1
127.03953	1.3
135.08052	3.7
137.02460	14.6
137.03426	2.1
137.05960	60.9
137.06995	2.9
137.08020	8.4
137.09604	83.4
137.10698	8.5
137.13200	1.9
138.01779	2.6
138.05476	19.8
138.06535	7.8
138.09087	3.5
138.10068	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	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03942	3.5
54.03478	1.3
55.01867	1.2
55.05503	3.0
56.03780	0.6
56.05013	1.2
57.92236	0.5
61.56673	0.5
64.60551	0.6
65.03921	3.7
66.04710	5.2
67.05494	34.8
68.05014	1.6
68.05830	0.6
69.03416	2.6
69.04550	1.7
69.07053	1.7
70.02934	0.6
70.06586	0.6
70.47750	1.1
70.48144	1.3
70.59224	0.5
72.04515	1.1
77.03914	1.0
78.95361	0.5
79.05479	8.8
80.05019	0.7
81.03400	1.3
81.04535	2.9
81.07047	15.4
82.06562	1.4
82.07391	0.6
83.06090	1.0
89.58721	0.5
91.05468	20.4
92.04988	0.7
92.05790	1.0
93.03407	0.6
93.04501	0.7
93.07027	7.0
94.04173	42.2
94.06546	0.8
94.07825	2.0
95.04425	1.0
95.04964	9.8
95.06055	0.9
95.08587	13.5
96.04491	1.4
96.05627	1.2
97.06380	6.7
97.07644	1.3
98.04827	1.1
103.05457	2.0
104.06223	1.9
105.03355	0.6
105.04494	1.3
105.07050	0.6
107.04937	28.0
107.08597	2.1
108.05254	1.0
109.06506	3.7
109.07642	1.0
109.10139	33.8
110.06030	1.3
110.07156	5.5
110.07937	1.2
110.10474	1.3
111.05553	1.6
117.07021	1.7
119.04934	1.6
119.08566	15.3
120.04472	1.3
120.05540	1.2
120.08942	0.8
121.06493	10.0
121.07563	0.9
122.02933	1.0
122.03633	53.5
122.07268	100.0
123.03991	1.9
123.07619	4.3
135.08035	4.8
137.02522	4.5
137.05960	72.7
137.09595	82.6
138.01711	1.2
138.05457	5.0
138.06296	4.2
138.09109	0.6
138.09964	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	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	4.1
54.03462	3.7
55.01861	8.4
55.05492	3.3
55.40738	1.3
56.03760	2.7
56.05037	1.9
57.07055	3.3
65.03932	3.9
66.03438	1.1
66.04710	2.6
67.05497	38.8
68.05008	4.8
68.05813	1.3
69.03417	1.7
69.04544	7.0
69.05322	1.1
69.07047	3.4
70.02935	2.2
70.06567	1.6
71.27374	2.6
71.52117	1.1
72.04499	1.8
79.02953	1.6
79.05483	13.3
80.05006	2.3
81.03411	4.0
81.04530	12.8
81.07044	34.2
82.06569	5.8
82.07347	1.7
83.06097	4.7
85.21494	1.3
91.05467	25.4
93.04523	1.7
93.07027	11.8
94.04181	22.1
94.06567	3.7
95.04964	10.3
95.06081	3.1
95.08595	28.8
96.04490	5.9
96.05598	7.1
96.06883	1.3
96.08096	1.5
97.04004	1.4
97.06384	19.8
97.07660	2.1
98.04785	3.9
103.05465	1.6
105.04538	1.7
107.04945	27.5
107.08566	2.7
108.80423	1.4
109.06503	11.1
109.07632	4.5
109.10138	40.6
109.10880	2.1
110.06015	4.8
110.07174	18.0
111.05543	9.0
117.06954	2.0
117.59770	1.0
118.83360	1.0
119.04939	3.1
119.06056	1.7
119.08570	13.7
120.04455	3.9
120.05584	3.7
121.04024	1.4
121.06495	9.5
121.07539	1.8
122.03631	25.2
122.07271	100.0
123.03998	1.5
123.07624	3.2
135.08043	4.1
137.02440	8.8
137.03387	1.4
137.05962	37.7
137.07062	2.6
137.08221	9.3
137.09610	86.4
137.10666	5.6
137.13191	2.6
138.01724	3.1
138.05492	27.4
138.06564	8.4
138.07489	1.6
138.09096	2.4
138.10092	5.9
153.33357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03926	3.9
54.03461	3.1
55.01860	1.7
55.05494	2.1
56.05016	1.6
56.96555	1.0
59.06092	0.8
60.14028	0.8
65.03915	2.7
66.04698	2.4
66.85627	0.9
67.05139	1.9
67.05493	31.6
68.05006	2.5
68.05841	1.0
69.03403	3.7
69.04532	3.4
69.07046	3.0
70.06585	1.3
71.16837	2.0
72.04492	1.6
79.02960	1.1
79.05479	10.2
80.05003	2.3
81.03406	1.7
81.04530	8.4
81.07047	19.4
82.06586	2.0
83.06074	1.6
91.04921	1.6
91.05466	24.3
92.05788	1.3
93.07027	8.8
94.04180	15.1
94.06572	2.2
94.07810	1.3
95.04970	7.4
95.06060	1.8
95.08590	11.3
96.04449	0.9
96.05616	2.7
97.06389	9.4
97.07671	2.3
97.96143	0.8
98.04780	1.4
103.05426	2.0
103.95578	0.9
104.06227	1.6
105.04461	1.5
107.04939	24.8
107.08579	1.5
109.02870	1.0
109.06483	5.1
109.07618	1.5
109.10137	30.4
110.06008	2.2
110.07143	8.7
110.10452	1.5
111.05532	3.2
117.06989	2.6
119.04890	2.2
119.08556	21.2
120.04456	1.7
120.05568	0.9
120.08894	0.8
121.06472	8.5
121.07545	1.1
122.03632	19.9
122.07267	100.0
123.07604	3.4
135.08029	4.4
135.69325	0.8
137.02493	6.3
137.05972	27.7
137.07072	1.7
137.08232	4.3
137.09592	82.0
138.01756	2.4
138.05466	9.0
138.06537	4.2
138.09047	1.3
138.10007	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	1.2
57.07048	0.7
65.03908	2.4
66.04710	8.2
67.05496	4.0
69.03423	0.6
69.07043	0.7
69.41436	1.0
69.41843	4.8
73.84377	0.5
77.03915	1.4
79.05478	5.8
81.03394	1.4
81.07052	5.6
82.06552	0.5
91.05463	7.2
92.04996	0.9
93.07032	1.6
94.04173	59.9
94.06552	0.7
95.04429	0.9
95.04999	3.8
95.08588	4.2
96.04464	1.1
102.56219	0.5
105.03364	0.6
107.04938	2.3
108.08108	0.8
109.06509	3.1
109.07603	1.0
109.10155	1.1
110.06057	1.5
119.08517	0.7
120.04451	0.6
122.03631	74.4
122.07218	1.0
123.03979	3.3
127.28153	0.5
135.04399	0.8
137.02495	3.9
137.05959	100.0
137.09583	2.5
137.10718	2.7
138.01759	1.3
138.05388	3.8
138.06387	4.0
138.09131	1.5
152.09169	0.6
154.50281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01579	0.2
51.02375	0.7
53.00291	0.2
53.03944	1.7
55.01855	1.0
61.52318	0.2
65.03924	1.9
66.04712	7.8
67.05489	0.7
69.03429	0.3
69.52674	0.9
69.53106	1.2
77.03915	0.9
79.05482	5.0
80.05806	0.4
81.03406	0.4
81.07036	2.4
88.30512	0.2
91.05466	4.4
93.03423	0.4
94.04172	56.2
95.04432	1.9
95.05061	1.5
95.08624	0.3
105.03385	0.7
105.04540	0.3
107.04935	2.4
109.06490	0.9
111.04443	0.4
119.04912	0.3
122.03627	73.9
123.03948	3.7
130.38063	0.2
135.04367	0.8
137.05954	100.0
138.06311	5.0
150.66006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02371	0.5
53.03938	2.3
54.03458	0.9
55.01867	1.2
55.05495	0.8
56.03769	0.6
56.05028	0.8
56.20097	0.4
57.07066	0.4
65.03937	3.3
66.04713	7.9
67.05494	6.1
68.05012	1.4
69.03416	1.2
69.04536	2.2
69.82304	0.7
69.82707	1.8
70.02939	0.5
70.06579	0.9
72.04499	1.1
77.03924	0.9
79.02980	0.4
79.05486	6.3
80.05003	0.9
81.03405	1.5
81.04535	4.7
81.07047	9.0
82.06567	1.6
82.07346	0.5
83.06089	1.8
86.39909	0.3
91.05466	8.8
92.05014	0.3
92.05766	0.4
93.04502	0.4
93.07035	3.5
94.04172	54.1
94.06558	1.1
95.01326	0.4
95.04482	1.3
95.05003	3.3
95.06037	1.6
95.08591	6.4
96.04465	1.4
96.05617	1.9
96.08106	0.4
97.03990	0.7
97.06377	7.2
97.07649	1.5
98.04779	1.2
105.03389	0.7
105.04483	0.8
106.09635	0.4
107.04926	3.3
108.08089	0.3
109.06506	3.3
109.07647	1.2
109.10146	2.4
110.06036	2.1
110.07166	5.8
110.07938	0.6
111.05538	2.3
111.09177	0.3
119.04932	1.2
119.08551	0.7
119.95198	0.3
120.04409	1.6
120.05581	0.9
121.02803	0.3
121.04029	0.5
121.07627	0.6
122.03629	68.8
122.07239	3.5
123.03957	2.8
135.04387	0.9
137.02509	4.0
137.05956	100.0
137.08080	3.8
137.09586	4.5
137.10710	1.7
137.13220	0.4
138.01738	1.1
138.05444	4.7
138.06389	6.0
138.09117	1.0
138.10234	1.1
140.02809	0.3
150.97618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03942	2.3
54.03455	1.5
54.50360	0.4
55.01855	1.1
55.05499	0.9
56.96558	3.0
58.06596	0.8
59.51833	0.4
60.04515	0.4
61.36147	0.4
65.03925	3.2
67.02966	0.8
67.05498	3.3
68.05016	5.7
69.03419	3.9
69.04531	1.3
69.07053	0.4
70.06593	0.6
70.59020	0.4
71.53315	1.1
79.05476	3.4
79.21196	0.5
80.05001	7.6
80.05792	0.8
81.03400	1.5
81.04531	6.0
81.07040	7.1
81.07479	0.7
82.06578	1.3
83.06105	0.6
84.07627	0.4
88.51545	0.4
91.05465	73.2
92.02514	0.8
92.04981	0.6
92.05794	2.9
93.04552	0.8
93.05785	2.1
93.07030	5.8
94.02887	0.5
94.04105	6.6
94.06548	3.4
95.04953	3.9
95.06071	5.5
95.08583	4.5
96.04486	1.1
96.05615	0.9
96.06849	6.2
96.08144	0.5
97.05309	0.5
97.06377	4.7
100.02442	0.6
101.00839	0.5
106.06562	0.6
107.04931	4.7
107.06068	0.6
107.07336	0.8
108.04450	3.0
108.05286	1.4
108.08109	4.2
108.08831	0.7
109.01088	8.4
109.02875	0.8
109.05089	0.9
109.06512	5.1
109.07619	9.0
109.10126	0.7
110.06030	0.8
110.07169	4.4
110.09694	0.5
112.05096	0.6
113.05863	0.9
117.05736	0.9
118.05653	0.5
118.06518	11.1
119.01907	0.9
119.03555	12.2
119.04922	15.5
119.05959	1.1
120.03848	0.6
120.05323	0.6
120.08044	0.8
121.06343	0.5
122.03633	2.9
122.07258	0.8
126.05547	0.4
131.01881	2.4
136.02142	76.0
136.03903	6.3
136.06161	100.0
136.07539	27.2
136.08633	6.8
136.11099	0.9
137.02455	5.1
137.03496	0.6
137.04562	10.9
137.05942	8.5
137.06911	0.9
137.08089	4.6
137.09575	2.2
137.10712	4.5
137.13292	0.5
142.03494	0.5
149.02956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51669	0.6
55.01865	11.3
55.05497	1.3
56.96556	4.2
57.03427	31.4
58.01627	0.5
58.03761	0.9
58.06595	2.4
58.99855	6.5
59.52180	1.6
59.99941	1.4
60.99609	0.8
61.02922	3.4
63.44683	0.4
65.03927	0.6
65.52190	0.9
66.86989	0.4
67.01856	2.4
67.02171	0.5
67.05480	0.5
68.52706	0.7
68.99786	2.8
69.01907	0.5
69.03400	2.1
70.99837	2.4
71.01353	1.1
71.02982	0.7
71.04973	0.7
71.12186	0.8
71.12526	0.9
73.01402	0.5
73.02917	3.9
73.08921	1.2
74.52702	0.6
75.01910	0.7
76.02735	0.5
77.00893	9.6
78.00954	0.8
78.52955	13.0
79.00648	1.6
79.03027	2.2
79.05492	0.8
79.52824	1.9
80.04999	0.7
80.52715	1.4
81.01900	1.4
81.03405	0.6
81.07047	1.3
82.01413	7.7
82.99858	0.7
83.01416	0.7
83.04956	0.7
84.01186	1.1
84.99256	2.9
85.02898	1.6
85.51920	0.8
86.52696	2.3
86.99323	1.2
87.00818	2.1
87.53465	5.2
88.03533	1.0
88.53329	0.6
89.00883	1.6
90.02424	1.1
90.03739	1.1
90.53813	0.4
91.02428	4.1
91.05463	7.9
92.01292	1.1
92.02506	0.6
92.52702	2.3
93.02197	0.5
93.02780	1.0
93.05768	0.6
93.07031	0.7
93.56673	0.4
93.97319	0.5
94.04092	0.6
94.52429	0.6
94.99813	0.9
95.01318	9.2
95.01925	3.0
95.04967	0.9
95.08598	1.2
95.53213	0.6
98.97580	0.5
99.51598	0.4
100.02467	58.7
101.00861	6.8
101.02521	7.2
101.53220	1.1
102.00986	0.9
102.02219	7.9
102.53065	0.6
103.00625	1.0
103.02441	2.5
103.51410	0.6
105.00367	2.0
108.08124	0.6
109.01087	2.0
109.03472	3.0
109.06514	0.9
110.02134	1.3
110.52672	1.0
111.00175	0.6
112.01821	0.4
113.00850	9.6
113.01620	0.8
113.02341	3.1
114.00991	0.6
114.04013	9.4
114.52180	0.6
115.01249	1.0
115.02409	4.7
115.04105	1.2
116.00202	0.5
116.02499	0.8
116.03773	0.9
117.01886	1.7
118.03500	42.4
118.06536	1.1
119.01900	35.9
119.03571	7.9
119.04930	1.5
120.00814	0.6
120.01104	0.6
120.02022	5.3
120.03230	4.4
121.01641	5.2
121.03484	2.1
122.03616	0.7
123.01356	0.8
123.04003	2.5
124.02523	0.9
125.13567	0.5
127.02467	0.5
131.01883	100.0
132.01988	8.3
132.05040	10.9
133.01648	1.6
133.03439	9.7
133.05165	1.7
133.52907	1.4
134.03575	1.4
134.04811	1.9
135.03212	1.2
135.04997	0.8
136.02147	17.0
136.03877	0.8
136.06174	15.3
136.07542	2.8
137.02951	8.8
137.04594	1.6
137.05966	1.8
138.03030	1.4
138.04044	0.5
139.02701	1.4
141.04140	0.5
141.05092	2.4
142.03477	8.8
143.01901	1.1
143.03583	1.5
143.04768	0.4
144.03235	0.9
144.99805	3.7
145.03441	2.4
146.03690	0.5
146.99625	0.8
147.01385	2.9
149.02940	32.6
150.03114	1.7
151.04556	0.7
154.03484	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	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	7.8
55.01855	3.1
55.05499	10.5
57.42348	1.2
63.26676	1.2
65.03926	5.9
67.05483	4.6
68.05014	3.3
69.03406	2.4
69.07037	4.7
69.52438	3.6
69.52863	6.8
77.03912	2.2
77.16479	1.1
79.05482	28.3
80.04981	2.9
80.05791	1.7
81.07044	5.7
91.05466	65.8
92.02575	1.9
92.05771	1.6
93.07030	58.2
94.07341	2.5
94.07858	1.4
95.04953	14.9
95.06073	1.3
96.05266	1.4
96.06849	3.5
104.06245	1.1
105.04492	3.4
105.07015	29.5
107.04927	5.7
107.08575	100.0
108.04479	1.1
108.08147	2.3
108.08904	4.9
109.01109	7.8
109.06499	11.9
109.07634	2.2
110.06848	1.3
115.05431	3.6
117.06996	4.7
118.06560	1.3
119.03531	2.2
119.06048	4.8
119.08564	11.9
120.09337	4.7
135.04414	9.0
135.05304	1.5
135.06557	1.4
135.08017	6.3
135.09137	3.6
135.11668	28.6
136.02147	74.3
136.03900	3.6
136.05135	1.6
136.06157	17.6
136.07552	12.3
136.08635	3.4
136.11134	1.7
136.12059	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.60577	0.7
53.03937	5.4
55.01852	1.6
55.05501	9.4
57.07059	1.1
58.20901	0.7
65.03925	2.4
66.16718	0.6
67.05493	4.0
68.05025	3.4
69.03419	1.7
69.07069	3.7
69.22977	0.7
69.96736	4.7
79.05479	22.2
80.05041	1.3
80.05815	1.6
81.04508	0.7
81.07040	4.3
87.37462	0.8
91.05464	44.9
92.05795	2.0
93.07028	45.8
94.06541	1.0
94.07346	2.7
95.04947	10.5
95.06033	2.0
96.06865	3.3
105.04485	1.6
105.07014	24.1
106.07320	0.8
107.04922	3.6
107.08574	100.0
108.04492	1.4
108.08175	1.5
108.08913	6.6
109.01068	4.5
109.06496	8.1
109.07604	1.6
115.05467	1.0
117.07027	2.1
118.06498	1.7
119.03629	0.7
119.06026	4.1
119.08570	8.9
120.09380	3.9
124.05182	0.7
133.10109	1.1
135.04401	2.4
135.05402	1.2
135.06468	1.0
135.08028	3.5
135.09023	1.1
135.11681	17.6
136.02141	48.7
136.03896	2.1
136.05162	1.4
136.06143	8.0
136.07556	6.3
136.08678	3.0
136.12033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	7.0
54.03462	1.4
55.01857	2.0
55.04225	1.0
55.05497	8.3
56.96537	0.9
57.07063	1.1
65.03912	4.8
67.02962	1.2
67.05493	4.8
68.05016	7.5
69.03413	1.2
69.07052	2.4
79.05477	28.0
79.51474	1.0
80.05000	4.6
81.03411	1.6
81.07031	3.7
83.53664	0.9
91.05464	61.2
92.05793	2.7
93.05785	1.8
93.07029	52.0
94.04029	1.1
94.06527	1.7
94.07355	2.6
95.04945	13.3
95.06078	3.5
96.06859	5.0
98.20732	2.4
102.55401	0.9
103.05413	1.7
105.04510	1.7
105.07011	29.4
107.04937	7.4
107.06087	1.6
107.08575	100.0
108.04445	1.7
108.08100	4.9
108.08907	6.4
109.01060	4.9
109.06509	11.7
109.07613	5.9
111.10831	1.1
115.05437	2.9
117.06985	5.1
118.06518	1.8
119.06033	4.1
119.07745	1.4
119.08556	20.0
120.09425	5.0
133.10069	1.7
135.04384	4.3
135.05458	2.0
135.06544	2.5
135.08028	5.5
135.09146	5.3
135.11670	36.9
136.02141	67.6
136.03906	5.8
136.05077	2.1
136.06157	17.5
136.07552	14.7
136.08662	6.5
136.12030	2.5
137.04575	1.0
137.09491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	6.2
55.01860	1.9
55.05498	12.1
62.60288	0.8
65.03913	3.3
67.05502	4.1
68.05006	3.0
69.03406	1.6
69.07046	3.6
71.69789	1.5
78.96068	0.8
79.05484	29.1
80.04996	3.2
80.05820	1.7
81.07035	5.8
91.05466	49.3
92.05779	1.4
93.07030	48.8
94.06573	0.9
94.07362	2.5
95.04956	8.0
95.06078	1.4
95.08610	1.6
96.06846	3.5
105.04496	2.4
105.07012	22.7
107.04940	2.9
107.08577	100.0
108.04481	1.0
108.08150	1.5
108.08900	5.3
109.01087	4.1
109.06492	10.1
109.07639	2.5
114.49315	0.8
115.05408	1.7
117.07005	2.9
119.06035	3.9
119.08560	8.1
120.09351	2.1
124.05100	0.9
135.04395	3.2
135.05461	0.9
135.06549	1.3
135.08026	4.1
135.09166	2.1
135.10634	1.2
135.11664	19.0
136.02145	46.1
136.03874	3.1
136.05147	1.7
136.06157	9.9
136.07541	9.0
136.08626	3.4
136.11118	1.0
154.08806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.67383	0.8
51.02374	2.1
53.03938	9.1
54.03451	1.7
55.01866	1.5
55.05502	8.8
57.07055	1.5
65.03916	4.5
66.32420	0.9
67.02971	1.2
67.05497	4.1
68.05018	8.3
69.03415	1.8
69.07047	3.0
71.05737	3.1
72.69730	1.0
72.86038	1.0
75.05574	1.6
77.03904	1.0
77.57683	0.8
78.18945	0.8
79.05483	39.2
80.05001	3.7
81.03416	1.1
81.07043	4.4
82.06564	1.4
83.06084	1.3
87.05580	3.1
89.03900	2.5
91.05467	74.7
92.05795	2.9
93.05775	2.2
93.07032	50.4
94.06552	2.3
94.07350	2.3
95.04961	13.9
95.06078	5.2
95.08604	1.3
96.06868	8.2
98.21349	1.1
103.05460	2.3
105.04517	3.2
105.07018	34.7
107.04936	14.7
107.06046	1.6
107.08578	100.0
108.04497	1.9
108.08112	2.8
108.08923	6.2
109.01095	8.5
109.06502	13.1
109.07613	9.7
115.05434	2.9
117.07007	4.1
118.06527	2.0
119.06077	5.6
119.08572	19.5
120.09373	7.7
126.30802	0.9
133.10129	1.4
135.04399	10.9
135.05431	1.6
135.06599	2.8
135.08032	8.5
135.09140	3.4
135.11670	24.9
136.02145	82.9
136.03891	5.0
136.05042	2.2
136.06168	14.2
136.07558	14.9
136.08667	10.4
136.12016	2.3
137.04538	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.10970	1.0
53.03937	8.0
55.01863	3.7
55.05503	12.2
65.03922	1.9
67.05499	25.3
69.07050	8.3
69.75097	1.7
69.75507	5.8
77.03903	1.4
79.05486	78.3
80.05006	1.2
80.05807	4.3
81.07046	28.4
91.04921	2.1
91.05470	34.0
93.07034	100.0
94.07359	3.9
94.07873	1.4
95.04956	14.6
105.04498	2.2
105.07023	7.4
107.04926	2.5
107.08582	56.9
107.44869	0.9
108.08919	3.0
109.01080	3.8
109.06513	1.6
115.08918	1.0
119.08529	1.3
130.31573	1.1
133.10100	1.3
135.04388	3.4
135.05421	1.1
135.08043	6.0
135.09087	2.3
135.11676	45.2
136.02144	39.9
136.03815	1.5
136.06183	10.5
136.07474	6.2
136.12004	3.5
137.04538	1.7
138.86214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	6.3
55.01871	6.0
55.05501	9.7
65.03913	2.1
67.05493	17.9
68.15975	0.8
69.03412	1.8
69.07062	5.0
69.99609	1.7
70.00031	3.8
76.01319	0.8
79.05482	54.5
80.04990	2.6
80.05810	2.5
81.03417	0.9
81.06602	1.4
81.07043	17.0
81.90076	0.8
90.15798	0.8
91.04924	1.8
91.05466	27.6
93.07032	57.3
94.06544	1.1
94.07343	2.1
95.04951	8.9
98.21429	0.9
105.04491	3.0
105.07013	7.6
107.04944	8.8
107.08575	37.1
108.04507	1.8
108.08132	2.2
108.08893	2.1
109.01083	9.8
109.06514	2.5
113.94102	0.9
115.05417	4.5
117.05654	0.9
117.07009	3.5
118.06504	2.7
119.03507	1.9
119.06047	1.3
119.08542	1.7
120.09280	0.8
128.37366	0.8
135.04404	5.3
135.05431	1.9
135.06483	1.6
135.08069	15.4
135.09181	3.0
135.11674	30.0
136.02144	100.0
136.03896	4.1
136.05072	1.6
136.06165	26.1
136.07547	12.0
136.08473	2.1
136.11111	1.2
136.12029	2.2
137.04549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	5.9
55.01856	1.3
55.05504	12.4
65.03921	2.9
67.05496	47.9
68.05801	1.6
69.07056	9.9
71.32524	1.9
77.03899	1.2
79.05481	76.1
80.05804	3.4
81.07045	33.3
81.07447	0.5
81.07539	0.9
82.07357	1.0
91.05463	27.4
92.05785	1.2
93.07028	100.0
94.07307	4.4
95.04950	10.3
96.91686	0.8
105.04496	2.5
105.06999	5.5
107.04939	2.2
107.08575	48.6
108.08913	2.0
109.01084	1.9
109.06533	1.8
119.05994	1.0
119.08573	1.0
133.10052	1.0
134.03044	1.0
135.04402	1.2
135.05573	1.1
135.08052	5.8
135.11667	45.6
136.02139	19.8
136.06134	5.2
136.07555	3.5
136.12009	3.7
148.89510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	0.7
53.03942	6.8
55.01862	1.6
55.05500	12.6
55.14412	0.7
65.03926	3.4
67.05492	53.7
68.05828	1.5
69.03420	1.0
69.07058	11.1
70.98689	1.9
77.03902	1.8
79.05479	73.9
80.05002	1.7
80.05815	2.8
81.03434	0.8
81.07040	38.1
91.05465	24.4
92.05813	1.2
93.07026	100.0
94.06617	0.6
94.06802	0.6
94.07354	4.4
94.07865	0.9
95.04948	10.5
105.04499	2.4
105.06998	5.7
107.04974	3.4
107.08575	50.6
107.96055	0.6
108.08926	2.6
109.01083	2.1
109.06535	2.3
115.05449	0.9
116.38203	0.8
118.06506	1.2
119.06083	0.7
119.08537	1.3
133.10086	1.4
135.04341	0.9
135.08034	7.2
135.09155	3.6
135.11667	43.2
136.02142	27.0
136.03809	1.1
136.06142	6.5
136.07527	4.5
136.11980	3.8
137.04466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	10.4
55.01855	5.5
55.05507	11.4
56.30189	1.4
57.07049	1.5
65.03922	3.3
67.05189	1.6
67.05497	20.8
69.07051	7.9
79.05485	62.9
80.04991	4.5
80.05795	3.3
81.07043	23.3
82.07382	1.6
87.37682	1.2
91.05467	42.1
92.05777	1.5
93.05789	2.9
93.07033	91.3
94.07339	3.9
94.07860	1.2
95.04963	20.2
98.10509	1.2
105.04486	3.9
105.07021	7.8
107.04919	5.3
107.08578	43.4
108.04481	1.5
108.08108	1.4
108.08880	2.0
109.01076	8.8
109.06493	2.4
113.08600	1.2
115.05458	2.0
117.06947	1.6
118.06524	3.1
119.03535	2.2
132.77367	1.3
133.10118	2.6
135.04364	4.4
135.05406	1.3
135.08022	6.6
135.09178	4.4
135.11668	27.9
136.02141	100.0
136.03891	5.6
136.05092	2.9
136.06157	26.4
136.07539	13.7
136.08478	2.0
136.12025	1.9
137.04581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02362	1.1
53.03949	6.6
55.01878	1.4
55.05499	8.5
65.03921	2.7
67.05496	21.9
69.07053	5.0
69.37086	14.4
79.05022	2.6
79.05483	49.4
80.05003	3.4
80.05798	1.5
81.07044	20.1
91.05463	21.3
92.05803	1.9
93.05765	1.9
93.07030	62.2
94.04017	1.7
94.07344	3.0
95.04970	10.8
105.04518	2.2
105.07021	4.8
105.33430	1.1
107.04943	5.5
107.08580	40.6
108.08111	2.4
108.08894	2.7
109.01083	8.5
109.06503	1.5
117.07014	1.5
118.06541	2.6
119.03499	3.2
119.08536	1.4
135.04381	6.3
135.05438	2.3
135.06491	1.5
135.08038	5.6
135.09166	6.1
135.11673	33.0
136.02141	100.0
136.03889	6.1
136.05132	1.6
136.06160	26.4
136.07547	14.6
136.11121	2.0
136.12074	2.3
137.04555	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	4.3
55.01848	2.3
55.05504	5.5
61.26788	0.9
65.03928	2.4
67.05492	10.1
67.42077	0.9
67.89851	0.8
68.05006	2.4
69.07043	3.7
69.89361	5.1
73.86104	0.7
79.05479	28.8
80.05001	2.9
80.05798	2.8
81.07040	9.8
91.05465	18.7
92.02539	0.9
92.05796	1.0
93.05753	2.0
93.07024	36.8
94.06513	1.3
94.07320	1.3
95.04950	7.9
97.71093	0.7
105.04489	1.5
105.07012	5.0
107.04945	6.2
107.06079	1.0
107.08571	31.8
108.04465	2.9
108.08116	2.1
108.08906	2.0
109.01086	9.8
109.06494	2.6
109.07612	0.8
115.05453	1.6
117.07014	2.0
118.03945	0.9
118.06517	2.5
119.03545	2.9
119.06078	0.8
119.08581	1.1
133.10071	0.9
135.04451	5.5
135.05438	1.3
135.06628	2.1
135.08026	8.1
135.09143	4.6
135.11670	18.8
136.02138	100.0
136.03886	5.1
136.05066	1.8
136.06158	22.2
136.07545	12.8
136.08563	1.4
137.04572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.37391	1.0
53.03942	6.1
55.01868	10.8
55.05502	3.1
55.83441	1.0
56.96547	1.6
56.99977	1.1
60.71569	1.1
65.03932	11.7
67.03008	1.2
67.05499	8.1
68.05010	3.7
69.03424	10.5
69.49551	10.3
73.67085	1.1
79.05481	62.7
80.05006	5.2
80.05813	2.1
81.03419	1.5
81.07068	2.2
91.05466	93.0
92.05806	3.0
92.06293	2.6
93.05775	2.5
93.07034	26.0
94.02897	1.3
94.06541	1.2
94.07364	1.6
95.04958	13.5
95.06093	4.0
96.06879	3.9
98.21487	2.0
105.04504	1.4
105.07011	25.3
106.07340	2.0
107.04948	9.7
107.08578	47.3
108.04489	2.6
108.05259	1.1
108.08115	3.0
108.08862	2.2
109.01101	7.7
109.06507	13.3
109.07629	2.9
115.05445	22.9
117.07001	15.1
118.06550	2.6
118.07354	1.2
119.03508	1.1
119.06072	5.2
119.08599	2.7
120.05720	1.4
124.05208	1.5
127.46047	1.1
130.17909	1.2
135.04425	7.8
135.05476	3.2
135.06485	3.3
135.08060	39.0
135.09184	7.1
135.11655	8.3
136.02145	100.0
136.03920	4.1
136.06200	17.5
136.07578	15.5
136.08589	4.2
136.11113	1.1
143.08286	1.2
146.37730	1.0
148.73982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0802
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02381	1.8
51.92077	1.7
53.03922	4.6
55.01867	14.6
55.05494	2.9
65.03926	11.5
67.05492	12.4
69.03421	16.9
69.51915	13.3
69.52332	3.8
79.05481	49.1
80.05020	1.9
81.07051	2.5
91.05465	100.0
92.05783	3.5
93.05791	2.1
93.07020	14.1
95.04964	10.7
105.07023	28.5
106.07370	2.3
107.04935	7.0
107.08574	55.2
108.08898	3.1
109.01099	6.8
109.06487	17.0
114.19855	1.8
115.05441	27.9
117.06995	20.9
118.06588	1.7
119.03506	3.7
119.06035	5.2
119.08530	2.6
120.05676	1.7
123.57072	1.8
135.04372	7.5
135.05415	2.5
135.08051	41.1
135.09146	6.5
135.11661	5.1
136.02141	98.0
136.03883	5.0
136.06163	31.2
136.07408	11.9
136.11194	3.1
137.04568	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	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
69.91803	4.0
70.02946	4.4
74.02431	100.0
75.02768	1.5
86.52689	1.4
88.03980	51.3
88.51677	1.0
89.04341	0.9
91.05466	1.2
98.21228	1.5
99.12550	0.6
100.02472	1.3
101.00878	1.7
103.53677	0.6
104.94902	0.6
106.06559	0.7
107.80953	0.6
111.80799	0.6
116.03406	3.2
116.98692	0.7
117.04002	2.2
118.03529	1.2
119.01925	6.1
119.02736	1.2
119.53191	0.6
120.02003	1.0
120.03356	1.1
121.01654	1.6
122.38010	0.5
131.01932	1.9
134.04544	0.9
134.06020	1.2
135.05019	1.0
137.02956	2.4
137.50015	2.1
138.00159	0.7
138.49945	0.6
139.02908	0.7
140.00325	0.8
140.02432	1.3
142.03511	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	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03942	2.9
54.93857	0.5
55.01866	13.8
55.05495	2.2
63.10788	0.5
64.51596	0.5
65.03931	9.6
67.05497	10.7
68.05029	0.9
68.05857	0.5
69.03423	12.8
69.07060	0.9
71.26608	0.9
77.03908	0.5
79.05483	53.0
80.04997	1.6
80.05807	1.6
81.03394	0.6
81.07040	3.3
86.50587	0.5
91.05468	100.0
92.05786	3.4
92.06267	1.7
93.05767	1.1
93.06438	1.0
93.07032	18.4
94.06561	0.8
94.07350	0.9
95.04958	9.5
103.05425	0.6
105.04507	1.2
105.07018	31.6
106.07328	1.7
107.04938	6.1
107.08578	52.1
107.36011	0.5
107.87109	0.6
108.04483	0.6
108.08161	0.9
108.08910	3.0
109.01086	3.8
109.05756	0.8
109.06503	14.7
110.06840	1.1
115.05440	28.0
116.05732	1.0
117.07010	19.7
118.06498	1.6
118.07295	1.1
119.03534	1.2
119.06056	5.7
119.08550	2.2
120.05733	2.0
120.09425	0.6
124.05197	1.2
128.18924	0.5
133.10062	0.6
135.04448	4.1
135.05421	1.0
135.08043	32.7
135.09131	1.6
135.11671	6.0
135.59996	0.5
136.02148	40.4
136.03894	2.2
136.06174	8.6
136.07550	5.7
136.08455	2.0
147.60442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03944	4.2
55.01860	1.7
55.05493	3.3
58.05334	0.9
65.03931	2.1
67.05491	2.0
70.06579	1.2
71.70150	1.6
73.74427	0.9
74.02426	2.8
77.03905	2.2
79.05489	14.6
80.05008	1.1
81.04527	2.6
82.05314	1.0
88.02206	1.1
88.03984	1.2
88.58337	0.8
91.04926	1.8
91.05473	32.2
93.04515	1.0
93.07033	5.8
95.04956	4.9
103.05444	7.7
105.03348	3.5
105.07016	100.0
106.06532	3.9
106.07350	4.4
107.06013	1.7
112.02181	6.1
113.02956	2.7
115.05443	7.2
116.06246	0.9
117.06985	7.3
118.04156	2.6
118.07774	6.7
123.07941	8.6
126.03698	1.1
128.83759	0.8
131.08554	8.3
133.02856	3.1
133.06516	20.3
133.07561	3.0
133.10112	58.2
133.82567	0.8
134.05981	7.5
134.07030	4.3
134.09587	2.4
134.10477	2.8
144.04739	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	134.0448
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
57.03431	1.5
69.91803	4.0
70.02946	4.4
74.02431	100.0
75.02768	1.5
86.52689	1.4
88.03980	51.3
88.51677	1.0
89.04341	0.9
91.05466	1.2
98.21228	1.5
99.12550	0.6
100.02472	1.3
101.00878	1.7
103.53677	0.6
104.94902	0.6
106.06559	0.7
107.80953	0.6
111.80799	0.6
116.03406	3.2
116.98692	0.7
117.04002	2.2
118.03529	1.2
119.01925	6.1
119.02736	1.2
119.53191	0.6
120.02003	1.0
120.03356	1.1
121.01654	1.6
122.38010	0.5
131.01932	1.9
134.04544	0.9
134.06020	1.2
135.05019	1.0
137.02956	2.4
137.50015	2.1
138.00159	0.7
138.49945	0.6
139.02908	0.7
140.00325	0.8
140.02432	1.3
142.03511	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	2.6
54.03482	0.4
55.01861	1.2
55.05510	3.9
55.85982	0.4
58.05351	0.4
65.03931	0.9
67.05508	0.8
69.98619	2.4
74.02443	1.1
77.03904	0.8
79.05485	14.0
81.04539	0.5
90.04692	0.7
91.05470	29.2
92.05786	1.1
92.06285	0.8
93.07039	7.1
95.04963	3.3
98.21436	0.5
103.05453	9.0
104.05728	0.5
105.03391	0.8
105.07018	92.4
106.06603	0.9
106.07346	4.2
107.06114	0.6
107.08586	1.7
112.02163	1.6
113.02951	1.0
114.32614	0.4
115.05439	8.9
116.06222	1.7
117.07011	10.5
118.04150	2.7
118.07799	11.7
123.07941	2.3
129.07008	1.0
131.08551	9.4
133.06499	15.6
133.10112	100.0
134.05995	2.1
134.06967	1.1
134.09566	0.3
134.10455	6.0
143.06052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03928	0.9
55.01852	0.6
55.05503	2.6
58.56420	0.5
65.03924	0.7
67.05486	1.4
79.05479	6.7
91.05461	23.2
92.05799	1.1
93.07030	1.4
95.04936	2.0
103.05437	2.8
105.03367	0.8
105.07008	100.0
106.06541	2.4
106.07343	4.2
107.08504	0.5
112.02177	1.3
115.05434	1.9
116.06193	0.6
117.06976	1.8
118.07793	1.4
123.07920	1.7
131.08542	4.8
133.02777	0.5
133.06470	3.9
133.07597	2.0
133.10104	21.8
134.06012	5.8
134.07005	0.7
134.09584	1.2
134.10464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
58.83685	0.5
60.12835	0.5
62.00849	0.6
62.29219	0.4
62.41169	0.5
63.77982	0.4
65.03930	1.2
68.43700	0.5
69.61321	0.9
69.61733	3.2
84.04479	1.0
84.16116	0.5
85.04834	1.6
85.08453	0.8
86.09681	0.5
91.05466	100.0
92.05784	4.3
95.04949	1.0
103.05445	5.9
104.04993	0.7
109.06468	1.1
113.07920	2.4
115.05441	8.9
116.06220	23.8
117.06548	1.3
128.06201	2.1
129.06989	14.6
130.07304	1.0
131.04878	1.7
131.08545	78.9
132.06503	0.6
132.08047	1.6
132.08875	5.1
133.06424	1.2
149.09636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
50.71992	0.6
51.40776	0.4
53.03918	0.5
55.01850	0.6
55.05504	0.5
56.96557	3.4
61.30099	0.4
68.99774	2.3
69.03403	0.5
69.07051	1.6
70.32394	2.2
73.02896	0.7
75.04475	1.9
81.04521	1.4
82.01442	0.8
82.05309	0.8
85.03993	0.5
86.09693	100.0
87.10020	3.9
88.19524	0.6
91.05389	0.6
94.60265	0.5
100.02477	3.8
103.01366	2.0
103.02431	1.1
110.02164	0.5
112.02194	3.0
113.02942	2.3
114.04026	0.6
114.52179	2.5
118.03533	1.9
119.01893	1.1
119.02663	2.9
121.03516	0.6
123.07925	4.5
126.03697	0.5
130.53455	0.9
132.05061	1.1
132.10188	0.7
133.03479	1.1
133.05974	0.6
143.03474	0.5
144.04810	1.0
147.01373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03942	4.3
56.96559	0.3
57.03444	0.3
69.03407	0.4
69.54926	1.3
70.03750	0.5
77.03907	0.9
81.03397	0.6
85.04828	0.2
85.08496	0.3
86.09698	0.2
91.05466	2.1
95.04951	8.7
96.05277	0.3
102.04667	1.5
103.05453	100.0
104.05784	4.0
105.04496	1.9
113.07928	0.9
115.05451	0.3
115.58018	0.2
116.06219	0.7
129.07013	0.4
131.04912	12.8
131.08519	1.4
132.05273	0.6
136.25359	0.2
144.08058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03936	4.1
53.32353	0.3
55.01850	0.6
56.05020	1.3
56.96547	0.9
57.03415	1.1
59.06104	0.6
60.04496	0.4
62.65891	0.3
68.05005	0.3
69.03407	1.4
69.40889	1.5
69.41315	1.8
70.03434	0.3
70.03745	1.9
71.06124	0.4
72.04495	1.1
72.08138	0.9
74.06069	0.4
77.03905	0.8
83.02464	0.3
83.06107	0.4
84.04491	0.7
85.02873	0.4
85.04807	1.7
85.08464	1.3
86.00661	0.4
86.06035	0.4
86.09684	1.0
86.91994	0.3
87.05582	0.4
88.62090	0.4
89.90662	0.4
90.90349	0.4
91.05461	6.7
93.91167	0.3
95.04948	7.6
98.04769	0.7
98.76802	0.3
98.97532	0.4
102.04660	1.1
103.05449	100.0
104.05059	0.6
104.05779	5.0
105.04501	1.4
113.07136	0.9
113.07903	5.9
114.05534	0.4
115.05451	0.7
115.08692	0.3
116.06219	2.7
118.83605	0.3
129.07001	1.1
131.03429	0.5
131.04915	12.0
131.06020	1.1
131.06889	1.2
131.08495	5.2
132.04391	0.7
132.05283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03936	4.0
55.01857	0.2
55.69001	0.3
56.05018	1.0
56.96545	0.6
57.03416	0.7
57.07037	0.3
58.06568	0.7
59.06115	0.4
60.04513	0.4
68.05016	0.6
69.03407	1.1
69.07030	0.4
70.03740	0.9
70.06572	0.5
71.68749	0.3
71.69125	0.3
72.04498	0.7
72.08143	0.7
72.93768	0.3
73.02913	0.3
77.03905	0.6
81.03401	0.4
83.02444	0.6
84.04504	0.7
84.08114	0.3
85.02871	0.4
85.04840	1.3
85.08453	0.9
86.06054	0.9
86.09669	0.8
90.90366	0.3
91.05461	2.9
93.48762	0.2
95.04951	6.8
98.04800	0.7
102.04662	0.9
103.05450	100.0
104.05057	0.5
104.05776	4.9
105.04491	1.6
112.64354	0.2
113.07212	0.4
113.07921	4.1
115.05447	0.3
116.06226	1.1
125.96139	0.3
129.06969	0.5
131.04913	10.3
131.06006	0.9
131.06873	1.0
131.08513	2.1
131.16238	0.7
132.04408	0.7
132.05363	0.3
132.06520	0.4
132.08072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98040	1.4
55.01851	1.6
55.05492	4.2
56.05017	5.8
56.96539	1.6
57.07067	96.0
58.06602	1.6
58.07386	2.3
59.06104	4.5
67.05471	1.8
69.03420	41.5
69.07049	4.0
69.42664	1.8
70.03760	1.7
70.06573	3.7
71.04979	2.5
71.15921	4.1
72.04493	3.5
72.08147	16.5
74.09311	3.6
74.09708	54.7
82.06566	4.0
84.04490	31.2
84.08125	29.9
84.38197	1.5
85.07633	4.2
86.06065	1.9
95.04935	2.1
99.51142	1.6
102.05572	1.7
103.05446	14.5
112.05058	1.5
112.07587	86.8
113.07069	2.3
113.07908	5.3
119.37435	1.7
126.07417	1.5
127.81013	1.4
130.06523	16.9
130.08635	16.0
130.09575	2.5
130.15895	100.0
131.04955	2.7
131.16229	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	127.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26141	2.1
53.03941	20.4
55.01852	14.3
55.05497	4.9
56.96552	11.7
57.03423	2.9
59.06110	2.2
68.02508	4.2
68.05028	2.5
69.03416	67.6
69.75674	17.3
70.03769	3.1
70.06576	8.3
71.01336	4.4
71.04971	7.9
78.52945	2.5
81.03412	55.4
81.04525	80.0
82.01425	3.6
82.06559	9.8
84.08153	3.2
85.02887	7.0
85.05138	48.4
85.51912	12.5
93.18584	1.9
94.52425	56.3
95.01320	2.1
95.02489	7.1
95.53197	2.3
97.02859	7.0
98.21452	3.0
99.04488	11.0
100.02462	22.1
101.02550	6.8
102.02254	5.8
103.02423	2.5
103.52927	7.4
106.03204	4.1
109.02855	56.0
110.03183	4.2
110.52682	2.7
111.09202	8.4
113.02358	5.2
113.03440	2.0
118.03525	13.3
119.01881	6.6
120.03223	2.9
121.01650	6.1
121.03497	2.6
122.02033	7.2
126.04028	3.1
127.03899	78.0
127.04997	9.9
127.07262	100.0
127.08672	4.2
127.19853	2.1
128.04256	3.8
128.07047	5.4
130.45808	2.2
131.01869	6.9
149.02870	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	127.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26141	2.1
53.03941	20.4
55.01852	14.3
55.05497	4.9
56.96552	11.7
57.03423	2.9
59.06110	2.2
68.02508	4.2
68.05028	2.5
69.03416	67.6
69.75674	17.3
70.03769	3.1
70.06576	8.3
71.01336	4.4
71.04971	7.9
78.52945	2.5
81.03412	55.4
81.04525	80.0
82.01425	3.6
82.06559	9.8
84.08153	3.2
85.02887	7.0
85.05138	48.4
85.51912	12.5
93.18584	1.9
94.52425	56.3
95.01320	2.1
95.02489	7.1
95.53197	2.3
97.02859	7.0
98.21452	3.0
99.04488	11.0
100.02462	22.1
101.02550	6.8
102.02254	5.8
103.02423	2.5
103.52927	7.4
106.03204	4.1
109.02855	56.0
110.03183	4.2
110.52682	2.7
111.09202	8.4
113.02358	5.2
113.03440	2.0
118.03525	13.3
119.01881	6.6
120.03223	2.9
121.01650	6.1
121.03497	2.6
122.02033	7.2
126.04028	3.1
127.03899	78.0
127.04997	9.9
127.07262	100.0
127.08672	4.2
127.19853	2.1
128.04256	3.8
128.07047	5.4
130.45808	2.2
131.01869	6.9
149.02870	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89857	0.3
58.99852	1.2
62.91390	0.3
66.04380	0.3
69.43481	1.2
69.43913	2.0
70.99873	0.6
75.43703	0.3
77.00888	1.0
82.01406	0.5
82.99833	0.8
83.01507	0.6
84.01184	0.4
89.34966	0.3
96.04501	0.6
97.02883	0.4
100.02463	2.0
101.00864	16.1
101.02560	3.9
102.00960	0.9
102.02222	3.1
118.03500	1.2
119.01903	100.0
119.03620	3.1
120.01986	7.2
120.03230	1.9
121.02366	0.5
124.02396	0.7
124.03951	1.2
124.05884	1.0
137.02939	40.8
137.94902	0.4
138.03038	2.8
142.03488	7.2
143.03598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
54.06453	0.2
54.55280	0.2
55.01860	1.8
56.05032	0.3
56.96555	1.2
57.03447	0.5
58.99866	0.4
60.04142	0.2
60.99598	1.0
68.02636	0.2
68.05032	0.3
69.03420	2.6
69.03779	0.2
70.06593	0.3
71.02979	0.3
71.05005	0.9
71.28156	0.5
72.99604	0.8
77.00912	0.3
78.49837	0.2
78.52979	0.6
79.00642	1.4
80.05022	0.8
81.03405	6.3
81.04504	0.4
81.07067	0.2
82.01454	0.7
83.06076	0.2
84.01195	0.2
84.04482	0.4
84.96003	0.3
84.99595	0.9
85.01487	0.2
85.02882	0.3
85.05153	0.9
85.25668	0.2
87.41090	0.2
91.00641	0.6
92.02582	0.2
95.01330	0.9
97.01693	0.7
97.02877	0.4
98.06043	0.4
99.04445	0.9
100.02467	5.2
101.02568	0.7
102.02213	2.1
102.52345	0.2
103.00615	12.2
103.01237	0.6
103.02471	1.0
105.00343	0.3
107.01896	0.2
108.04464	1.7
109.02864	8.0
109.03989	0.6
110.52666	0.2
115.02412	0.3
116.02518	0.3
118.03509	4.1
119.01924	1.4
119.03632	0.5
120.01978	2.3
120.03239	1.4
121.01645	100.0
122.01962	1.1
123.02103	0.4
126.02177	0.4
126.05502	1.8
126.06609	3.6
126.09135	0.4
126.12755	0.4
127.03893	10.1
127.04844	0.5
127.07261	1.9
131.01901	1.0
132.05032	0.3
133.03432	0.6
134.03584	0.4
135.03186	0.7
137.02939	0.3
138.03036	1.4
139.02664	51.2
140.03026	0.7
142.03528	0.3
144.03212	5.9
144.04951	0.3
144.99757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03930	1.1
55.01855	0.4
57.03426	1.4
58.99853	0.9
61.02925	0.7
68.04999	0.4
69.03403	1.0
69.30077	0.3
69.61447	0.3
70.34817	1.2
70.99849	0.6
77.00889	1.6
78.03440	11.7
78.52960	0.4
79.04210	0.3
79.52833	0.4
80.05003	44.1
81.03407	0.7
81.05331	1.0
82.01425	5.7
82.99837	0.5
85.02914	0.8
88.02677	0.7
89.00866	0.5
95.04965	1.1
95.06040	0.4
96.04478	15.6
97.02868	0.8
98.52699	0.4
100.02465	30.0
101.00853	8.2
101.02557	2.1
102.02338	0.6
102.43398	0.3
106.02897	21.3
107.03243	0.7
109.02888	0.3
113.00862	0.4
115.02419	0.5
118.01142	0.7
118.03499	21.1
119.01900	52.7
119.03651	1.5
120.01986	0.5
123.05530	100.0
124.02467	0.7
124.03944	3.4
124.05884	3.0
126.00146	0.3
131.01866	1.5
132.02040	0.4
133.03419	0.7
137.02933	22.1
141.05020	0.8
142.03476	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01844	1.5
55.05476	5.4
56.56120	1.4
57.07049	3.0
65.03920	3.2
67.05492	40.4
68.04990	2.8
69.07035	1.7
69.38816	3.6
69.39236	12.5
71.12311	1.4
76.06700	1.3
78.03424	3.8
79.05479	16.4
80.05006	47.5
81.03404	1.8
81.07043	100.0
82.07362	4.1
86.93560	1.1
93.07008	1.7
95.04949	51.9
95.08594	13.6
96.04480	31.0
100.02470	3.5
105.04502	3.4
105.07041	2.0
112.03946	23.4
118.03462	2.8
123.04446	8.3
123.05525	81.4
123.08028	12.4
123.09144	4.2
123.09991	1.9
123.11678	10.9
124.03933	65.6
124.05839	2.7
124.07557	4.8
137.02859	2.3
138.65282	1.2
140.03403	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33287	0.1
58.99850	0.2
60.00646	0.2
71.11686	0.2
71.12079	0.3
82.01454	0.2
82.99804	1.0
83.01495	0.3
90.90762	0.1
100.02462	1.1
101.00861	13.6
101.02538	1.8
101.91866	0.1
102.00921	0.8
102.02210	1.0
109.24403	0.1
118.03522	0.9
119.01904	100.0
120.01981	6.2
120.03284	0.5
121.02324	0.4
121.45449	0.1
124.02423	0.5
137.02937	43.5
138.03036	2.8
142.03482	6.7
143.03662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
56.96549	0.4
57.03420	1.0
58.99842	1.8
61.02934	0.5
61.94084	0.3
68.02614	0.3
69.03421	0.8
70.91739	1.2
70.99837	0.5
73.02940	0.3
77.00883	1.9
78.03457	0.5
80.05011	4.1
81.03393	0.6
82.01429	11.0
82.99825	0.8
83.01502	0.6
88.02679	0.7
90.28623	0.3
95.01947	0.4
95.04969	2.0
96.04469	1.6
98.45044	0.4
98.97565	0.5
100.02468	66.5
100.96635	0.4
101.00863	13.4
101.01535	0.8
101.02551	3.9
106.02914	0.9
112.03928	0.3
115.02407	0.5
118.01151	0.8
118.03503	45.8
119.01900	100.0
119.03598	2.7
120.03954	0.4
123.04116	1.8
123.05527	9.5
124.02453	0.5
124.03958	1.0
131.01884	1.3
133.03441	1.0
136.04515	1.8
137.02936	47.7
139.03360	0.4
141.05040	1.8
142.03479	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98338	0.9
57.03420	1.5
71.46651	2.2
82.01421	7.3
82.99859	1.3
86.03640	1.3
100.02469	40.5
101.00864	19.5
101.02533	2.7
118.03507	27.7
119.01908	100.0
124.02411	1.3
131.83971	0.9
137.02942	35.2
141.05125	1.1
142.03517	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58642	1.0
56.96545	1.8
57.03411	3.0
58.99857	3.2
60.39576	0.9
60.65388	1.1
61.02916	1.3
64.32996	1.1
68.97356	1.1
69.03417	2.1
69.72620	0.9
70.51099	2.0
70.51508	3.1
70.99839	2.2
73.02920	1.0
75.40247	0.9
77.00888	2.8
78.03437	4.9
78.52972	1.5
80.05009	19.5
81.03396	2.0
82.01432	19.1
82.99844	1.0
85.02894	1.2
89.00892	1.0
91.93192	1.0
96.04497	6.6
97.02872	2.7
100.02473	83.7
101.00877	23.6
101.02546	5.4
102.02322	1.7
104.47105	1.0
106.02905	8.0
111.02881	1.1
118.01069	1.1
118.03507	47.8
119.01907	100.0
121.01648	1.1
123.04133	2.7
123.05535	35.5
124.03935	2.5
124.44444	1.1
131.01089	1.0
131.01884	5.0
133.03445	1.7
137.01894	2.0
137.02940	34.5
141.05090	2.4
142.03476	6.2
143.01912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.101
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02359	1.7
53.03939	15.8
54.03430	1.4
55.01833	1.6
55.05510	10.2
65.03930	9.7
67.05490	32.8
68.08631	1.6
71.59163	2.1
71.59490	1.9
77.03910	1.7
79.05479	100.0
80.05814	3.3
81.03419	2.0
81.07037	2.0
91.05462	38.1
92.05798	2.6
93.07030	90.8
94.06527	3.0
94.07364	4.7
95.04945	26.4
103.05452	23.4
105.04498	5.7
105.07011	82.3
106.07799	5.6
107.07336	2.5
111.04423	2.0
112.03986	2.2
119.08561	12.2
121.02870	9.7
121.03969	2.7
121.06506	12.5
121.07271	2.0
121.09254	3.4
121.10124	58.2
122.05998	9.2
122.07063	2.9
122.09653	6.4
122.10469	3.3
123.07260	1.7
123.08009	9.8
133.07539	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02359	1.6
52.94588	0.7
53.03936	7.7
54.03456	7.5
55.01858	1.0
55.05493	2.3
60.63639	0.7
63.70421	0.8
63.78178	0.7
65.03922	7.7
67.02971	1.0
67.05497	1.8
68.05013	1.5
70.06571	1.4
70.08451	3.6
77.03914	1.8
79.05477	42.6
80.05010	2.1
80.05795	1.3
81.03422	1.1
81.04525	13.6
81.05775	1.1
82.05306	14.2
83.54453	0.7
91.04989	0.5
91.05463	21.8
93.07030	28.3
94.06554	2.5
94.07361	1.1
95.04958	15.5
95.06053	8.1
98.74313	0.7
103.05453	24.4
104.05770	0.9
105.03391	1.0
105.04515	6.3
105.07011	100.0
106.06704	0.8
106.07266	2.6
106.07921	5.9
107.04906	2.7
107.07372	3.6
107.08038	1.3
111.04426	3.1
112.03947	1.0
119.08554	13.8
120.05573	1.0
121.02866	6.8
121.03875	3.7
121.06483	9.1
121.07633	1.9
121.08435	0.9
121.10122	47.3
122.06052	6.7
122.07131	60.0
122.09645	5.0
122.10471	2.3
123.08046	12.6
133.07593	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02344	0.7
53.03936	10.9
54.03460	11.5
54.48831	0.7
55.01866	2.0
55.05503	5.3
56.96553	0.9
58.02951	1.3
65.03932	10.8
67.02989	0.8
67.05484	4.6
68.05016	1.7
69.55486	1.6
69.55896	4.6
70.06577	3.1
77.03894	1.5
78.04713	0.9
79.05481	35.1
80.05004	5.9
80.05811	0.9
80.06256	1.0
80.93187	0.9
81.03423	0.8
81.04529	22.9
81.07034	1.6
82.05312	17.0
89.54626	0.6
91.05468	36.3
92.05779	2.2
93.03374	1.0
93.07031	58.7
94.06532	4.6
94.07372	2.0
95.04958	18.9
95.05547	1.1
95.06075	8.8
96.04476	1.0
98.20670	1.4
103.05450	15.8
104.05743	0.8
105.03375	1.8
105.04510	5.8
105.07014	45.1
106.07864	3.6
107.04800	1.1
107.07317	1.9
110.06041	0.8
111.04420	3.5
111.05566	0.9
112.03961	2.4
119.08556	6.0
120.05609	1.3
121.02881	7.7
121.03983	4.8
121.04846	1.1
121.06479	9.9
121.07617	2.4
121.08386	1.0
121.09251	1.6
121.10127	24.5
122.06042	14.2
122.07130	100.0
122.09608	7.2
122.10503	1.8
123.08045	3.3
133.07605	1.3
133.54018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02355	1.0
53.03944	8.7
54.03461	6.4
55.01860	1.3
55.05506	1.0
56.96563	0.7
65.03927	6.8
67.05489	1.4
67.84747	0.8
68.05010	1.1
70.06577	2.1
70.94849	1.5
70.95254	1.4
71.74797	0.6
74.06074	0.8
77.03915	1.7
78.04723	1.0
79.05481	40.8
80.04997	1.9
80.05808	1.3
81.03433	1.0
81.04530	13.5
81.07033	0.7
82.05312	12.4
91.05467	22.8
91.06037	1.2
92.05794	1.5
93.03365	1.1
93.04491	0.7
93.07030	35.1
93.38818	0.6
94.06560	2.3
94.07349	1.1
95.04952	14.1
95.06057	4.3
103.05450	23.6
104.05785	1.4
105.04510	4.6
105.07012	100.0
106.07280	3.0
106.07920	5.5
107.04856	0.7
107.07330	1.2
111.04428	2.2
112.03941	1.2
112.84816	0.7
119.08566	14.0
120.05624	0.8
120.08889	0.7
121.02879	5.6
121.03917	3.3
121.06521	9.6
121.07538	1.3
121.10128	44.2
122.06063	4.8
122.07132	57.2
122.09631	3.7
122.10480	2.4
123.08048	13.0
133.07593	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.90621	0.5
51.02366	1.4
53.03944	8.9
54.03466	9.9
55.01868	1.3
55.05491	3.5
56.96543	0.7
58.02960	0.9
65.03931	16.0
66.04710	0.8
67.02982	1.8
67.05495	4.4
68.05012	1.9
69.40108	0.6
69.87176	4.5
70.06575	2.1
70.86420	0.6
77.03915	1.2
78.04715	0.7
79.05480	46.5
80.05014	1.8
80.05819	1.3
81.04528	19.5
81.05795	1.1
81.07036	1.5
82.05311	17.8
91.05466	27.5
93.04511	0.8
93.07031	36.3
94.04182	2.0
94.06552	4.7
94.07364	2.0
95.04953	15.3
95.06067	8.4
96.05309	1.0
103.05453	23.5
104.05056	0.6
104.05747	1.5
105.03381	0.8
105.04501	6.0
105.07014	100.0
106.07274	2.5
106.07915	6.5
107.04902	1.1
107.07338	2.3
111.04439	7.8
112.03963	1.5
112.04699	0.8
112.11142	0.7
117.09032	0.9
119.08559	13.2
120.05617	1.3
120.08894	1.0
121.02849	17.7
121.03967	6.4
121.04745	0.8
121.05753	0.8
121.06484	9.6
121.07634	2.6
121.08273	1.1
121.08424	1.5
121.10124	47.3
122.03191	1.0
122.06072	5.7
122.07135	89.4
122.09637	5.1
122.10475	2.5
123.08051	11.3
124.08458	1.0
133.07582	5.9
138.06715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	0.7
51.61583	0.3
53.03712	0.5
53.03942	5.0
55.01857	0.6
55.05508	0.8
65.03925	2.1
65.75824	0.3
67.05482	0.9
71.28985	0.8
76.47932	0.3
77.03911	1.0
79.05482	34.0
80.04997	0.5
80.05810	1.0
80.06250	0.6
81.03404	0.6
81.04525	1.0
82.05341	0.7
91.05466	12.6
93.07030	15.2
94.06546	1.2
94.07378	0.8
95.04956	9.7
99.29435	0.4
103.05455	18.3
104.05778	1.0
105.04540	2.7
105.07014	100.0
106.07244	1.5
106.07899	6.5
107.07326	0.7
111.04485	0.4
119.08562	13.4
120.05761	0.3
120.08884	0.5
121.02850	1.6
121.03945	0.7
121.06538	3.4
121.10127	47.9
122.06026	1.5
122.07138	4.5
122.09647	1.7
122.10476	2.6
123.08051	13.1
124.08371	0.9
133.07574	5.1
134.07977	0.3
138.06772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.00038	0.9
53.03940	7.1
53.04162	1.2
55.05500	15.0
65.03925	5.1
67.05487	15.5
67.62511	0.9
69.34075	1.0
71.27110	1.0
71.71057	1.0
71.71470	1.5
79.05479	69.8
80.05814	2.1
80.06249	1.4
81.07035	2.4
81.79550	0.9
91.05462	31.3
92.05833	1.5
93.07027	100.0
94.06528	1.2
94.07354	4.3
95.04955	18.8
103.05446	6.7
104.65260	1.0
105.04493	4.5
105.07011	22.0
106.07793	2.4
107.07306	1.2
108.14601	0.9
119.08556	4.5
121.02849	3.2
121.06467	4.2
121.10124	28.9
122.06000	2.9
122.07085	1.5
122.09641	2.4
122.10450	2.1
123.08040	2.3
138.10213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03936	6.1
54.03468	11.8
55.01859	4.1
55.05506	2.7
55.91434	1.3
60.63007	1.1
65.03933	72.4
66.04268	1.6
67.02982	1.4
67.05489	5.3
68.05003	2.1
68.99777	2.6
69.49881	1.1
70.06577	2.5
70.26054	2.5
70.26468	4.0
76.02235	1.5
77.03932	1.3
78.04724	1.2
79.05480	15.4
80.05028	2.1
81.04523	21.2
82.05314	19.4
91.05460	12.9
93.07033	21.6
94.06550	3.3
95.04981	10.9
95.06069	9.2
95.61514	1.3
98.21320	1.5
98.38294	1.4
103.05467	8.2
105.03382	1.7
105.04494	4.8
105.07020	13.9
109.02892	1.4
111.04426	38.1
112.03974	1.5
119.08559	1.8
120.05567	1.5
121.02862	100.0
121.03968	30.6
121.06476	12.9
121.07601	4.8
121.08416	2.3
121.10136	9.8
122.03190	5.5
122.04265	1.7
122.06069	8.0
122.07134	92.8
122.09653	3.7
123.08077	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	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.5
51.02385	0.5
53.03940	2.7
53.04150	0.4
54.04251	0.5
57.05936	0.4
57.11766	0.4
59.06124	1.1
64.96201	0.4
65.03929	4.6
66.58894	0.5
70.57011	1.8
74.06013	0.5
77.03922	0.5
78.04694	0.7
79.05489	6.0
88.84821	0.5
91.05470	100.0
92.05006	1.3
92.05805	2.8
93.07041	5.5
95.04947	3.8
96.05303	1.3
98.20838	0.5
100.55707	0.5
103.05458	12.6
104.06248	9.8
105.04527	0.9
109.06513	1.0
115.05442	6.1
117.07008	30.4
118.07394	1.4
119.04946	1.4
119.06046	2.3
119.08566	59.7
120.04472	1.4
120.05582	2.4
120.08072	2.1
120.08933	2.3
121.06509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.71656	0.5
51.02357	0.4
53.03938	2.8
57.63795	0.5
59.06113	2.0
65.03935	4.4
70.56809	0.5
70.57147	1.9
73.74995	0.5
74.00655	1.3
77.03892	0.6
78.04700	1.1
79.05485	6.1
85.69748	0.5
91.05466	100.0
92.04993	1.2
92.05785	2.6
93.07026	5.7
95.04955	4.3
96.05335	0.6
101.08306	0.5
103.05453	12.7
104.06233	9.9
105.04521	0.8
109.06523	1.3
115.05430	5.7
117.07004	32.5
118.07320	1.3
119.04926	1.6
119.06055	2.2
119.08563	63.1
120.04455	1.7
120.05578	2.8
120.08075	2.0
120.08910	2.8
121.06497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.5
56.96546	5.0
59.06104	14.4
65.91164	3.5
67.05486	15.1
69.03419	45.5
69.36179	41.9
71.37600	3.6
78.52946	5.1
79.02922	4.7
80.02936	6.4
80.06281	4.0
82.01427	12.1
87.53451	8.2
90.82537	3.5
91.05479	26.5
93.07021	4.7
93.53461	4.6
98.20732	8.5
100.02473	67.0
101.00850	11.6
101.02549	6.5
102.02211	6.1
103.02427	17.8
107.05235	8.3
116.05769	11.5
118.03497	37.9
119.01083	6.7
119.01900	100.0
120.01923	3.8
120.03277	4.0
121.03450	14.8
131.01888	3.8
133.03426	8.6
137.02946	46.9
138.03033	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	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	2.6
57.35271	0.7
65.03934	6.3
67.05489	0.8
69.68616	3.9
69.69028	1.7
74.29278	0.7
78.04695	1.5
79.05482	6.0
91.05463	100.0
92.04981	1.3
92.05791	3.2
93.07027	6.0
95.04958	5.0
96.04465	1.0
96.05292	1.4
101.80264	0.7
103.04762	0.8
103.05444	14.2
104.06229	11.1
109.06481	2.5
115.05420	5.9
117.07001	26.6
118.07301	1.3
119.04929	2.6
119.06122	3.8
119.08555	70.5
120.04505	0.8
120.05566	2.9
120.08059	2.9
120.08892	2.9
121.06450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.2
58.99854	5.4
59.06102	17.4
59.44530	4.1
65.52191	6.0
67.05492	15.4
69.03419	30.9
70.90399	8.0
70.90768	9.6
74.48881	3.7
80.02875	4.2
80.06259	4.5
82.01430	10.1
87.37612	3.7
91.05470	25.1
93.07034	5.5
93.53506	6.2
95.04952	5.1
100.02469	38.4
101.00870	20.1
101.02603	4.7
103.02435	14.0
107.05235	7.9
116.05740	12.7
116.27053	4.1
118.03515	27.3
119.01085	7.3
119.01902	100.0
119.03678	5.3
121.03469	9.4
129.03999	4.5
133.03520	4.8
137.02939	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	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.9
55.05502	3.4
56.05019	2.3
56.96546	7.6
57.03411	2.3
58.70167	1.7
58.99854	3.7
59.06112	17.4
60.04498	2.4
64.50475	1.6
65.03922	6.8
65.36403	2.2
66.13908	1.7
67.05498	9.1
69.03423	25.6
71.02969	3.3
71.56026	4.0
71.78352	2.1
72.52953	2.0
73.02892	3.5
73.08484	2.1
74.06075	4.1
77.00899	4.3
78.52935	6.8
79.05471	3.3
80.06252	3.3
81.03394	1.9
82.01418	6.4
84.01225	2.5
85.02874	4.1
87.00823	6.4
87.05565	4.7
87.53454	6.8
91.05464	38.0
93.07030	4.4
93.53455	5.1
94.05015	2.1
95.01349	2.1
95.04937	2.0
100.02467	44.0
101.00853	12.1
101.02541	10.3
102.02206	11.2
102.09159	3.3
103.02446	8.5
107.05243	5.3
107.34228	1.8
107.53170	2.2
115.02399	2.1
116.05759	8.0
118.03501	33.2
119.01900	100.0
119.03602	10.5
119.04910	2.9
119.06019	3.2
119.08559	2.7
120.01990	5.5
120.03215	9.1
120.05510	2.4
121.03474	7.8
129.03967	3.4
131.01840	2.7
133.03436	6.6
136.50597	1.7
137.01898	2.9
137.02950	55.1
138.03023	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	7.9
53.03715	3.4
53.03941	53.8
55.01841	3.1
62.95153	2.1
65.03943	3.0
71.16605	5.1
72.42095	2.4
77.03934	11.0
79.05470	3.6
79.13567	2.4
81.03397	4.4
91.05466	70.3
95.04957	100.0
96.04471	2.2
96.05282	3.9
103.05458	3.8
104.06225	7.0
105.04506	23.6
116.05780	4.5
117.06996	6.2
118.06530	77.9
118.07304	6.2
118.08727	2.4
119.06056	3.1
119.06860	4.6
119.08568	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	1.7
51.02362	5.4
53.03938	52.4
55.01850	2.5
55.15002	1.1
58.06580	1.9
59.07357	1.8
65.03923	3.0
70.89137	4.2
72.08126	2.5
77.03912	9.3
81.03409	6.2
86.78777	1.2
87.81693	1.2
91.05470	36.3
93.07001	1.3
95.04953	100.0
96.05269	2.1
98.20764	1.2
103.05431	2.3
104.06242	3.5
105.04500	19.4
111.14182	1.1
115.05466	1.7
116.05774	2.1
117.06995	5.6
118.06522	79.1
118.07267	3.6
118.08650	4.2
119.04961	1.9
119.06074	2.1
119.06854	3.8
119.08549	17.5
128.72888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	9.2
51.02563	1.6
53.03939	63.8
55.01859	3.5
56.05031	2.3
58.06580	2.1
59.06120	10.6
59.93087	2.2
60.04515	2.3
65.03915	3.7
70.82590	5.4
72.08145	2.8
75.05581	3.1
76.93364	8.2
77.03925	8.5
81.03397	5.0
89.81195	1.7
91.05470	47.4
94.94367	2.5
95.04954	100.0
96.05265	3.6
98.69924	1.7
104.54742	1.8
105.04501	22.5
117.07022	2.7
118.06524	91.9
118.08627	3.0
119.06833	3.0
119.08552	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02367	6.7
53.03681	2.8
53.03939	54.1
54.04264	1.6
55.01847	2.5
55.04572	1.5
57.47233	1.5
59.32125	1.5
65.03920	3.4
69.58975	6.6
69.59398	8.3
71.55183	1.6
72.08167	1.9
77.03918	9.7
79.05473	3.2
81.03398	5.6
91.05463	49.4
95.04953	100.0
96.05282	3.4
98.21420	2.6
103.05450	4.1
104.06232	5.2
105.04503	20.1
115.05444	2.9
116.05791	4.4
117.07000	12.4
118.06528	81.6
118.07312	5.5
119.06873	3.3
119.08561	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.9
55.01861	2.4
55.05503	4.3
56.05021	9.1
57.03428	12.2
57.03662	1.7
57.04561	2.5
58.02950	5.0
58.06596	8.8
59.04991	7.3
59.06115	100.0
59.93102	3.1
60.04518	7.8
66.04696	1.6
69.03420	13.4
69.88365	2.2
69.88768	9.5
70.06592	2.6
71.04982	9.1
71.06902	4.5
72.04506	6.4
72.08142	10.1
74.06071	3.4
75.05595	38.1
76.03999	10.2
76.07635	6.6
76.93370	12.3
81.03411	3.0
81.07033	3.7
82.06559	2.1
84.04486	2.6
89.03899	3.3
89.05983	1.5
90.04713	2.7
91.04980	1.7
91.05450	8.4
94.94406	4.5
95.04950	23.6
99.04411	2.0
99.05547	2.7
100.04003	2.0
100.07596	6.9
105.04491	3.1
106.00918	1.7
115.05438	13.1
117.05594	1.6
117.07106	10.6
117.10237	9.8
118.06513	27.3
118.07294	2.2
118.08681	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	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.9
53.03934	3.3
54.03455	6.1
55.05503	31.1
56.05033	8.2
57.07057	1.6
58.06593	8.4
59.06112	1.5
60.08454	1.3
67.02988	1.3
67.05488	5.6
68.05013	18.5
69.04560	3.6
69.07056	100.0
69.94343	8.2
70.02944	1.7
70.06580	92.5
71.06104	19.3
71.06976	1.4
71.07359	7.7
82.05304	2.9
83.06084	5.3
84.05600	3.7
84.08126	9.4
85.07655	11.0
87.50620	2.3
88.00468	1.4
94.06561	12.5
95.06073	17.3
96.05597	1.7
96.06840	11.0
97.01004	3.3
97.06372	2.4
110.07158	6.8
111.04443	1.9
111.05543	4.3
111.06725	3.2
111.07515	5.0
111.09189	91.5
112.05065	1.3
112.07544	2.6
112.08712	90.2
112.11275	1.8
115.96420	1.4
121.28072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0596
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01854	4.1
55.05489	2.4
57.03426	74.4
57.07053	3.5
58.06588	2.1
65.03926	6.7
67.01845	5.9
67.05492	60.0
68.05006	5.6
68.05813	1.5
68.06179	1.9
69.03413	6.7
69.07056	10.5
69.67604	2.7
69.68011	6.8
70.02943	19.6
70.03731	1.6
70.06569	1.5
71.04984	8.7
71.17278	1.1
71.94081	4.9
71.95223	2.2
72.04494	1.3
72.08152	2.1
72.93777	15.4
79.05466	9.0
85.02898	1.6
85.06530	31.3
85.07627	2.0
86.06045	4.8
89.95097	1.2
90.94790	7.6
95.01303	4.0
95.04950	26.7
96.00844	11.0
96.08134	6.2
97.06512	1.9
99.00639	2.3
108.95855	2.4
112.99995	20.6
113.02342	100.0
113.03471	20.3
113.04192	2.2
113.05976	19.4
113.07172	2.1
113.07910	3.5
113.10726	2.1
113.96390	1.6
114.02680	3.7
114.05505	9.5
114.09148	63.3
131.97435	1.5
134.77769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0649
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.85737	0.3
51.02374	0.6
53.03939	11.3
54.04274	0.5
55.01862	6.0
55.05500	4.2
56.05029	0.5
59.21315	0.3
65.03928	6.1
66.04698	1.5
67.04237	1.2
67.05492	36.6
67.45933	0.3
68.05016	2.8
68.05801	0.3
69.04546	1.5
69.07051	2.6
71.26214	0.9
79.05479	47.2
80.05007	0.5
80.05819	1.2
80.06252	0.4
81.03404	14.9
81.03883	0.7
81.07040	45.2
82.06554	1.9
82.07375	1.0
83.06104	0.5
87.00442	0.7
91.05461	14.4
92.04969	0.4
92.05777	0.7
93.04513	0.5
94.04177	4.4
94.07776	0.4
95.04967	1.6
97.92276	0.3
107.04943	1.4
107.08584	1.1
109.02869	2.9
109.06497	100.0
109.07559	5.9
109.10127	16.0
109.10881	0.7
110.05341	0.2
110.06019	6.2
110.07106	6.3
110.10462	0.3
111.04425	0.5
111.96826	0.4
112.67750	0.3
113.96366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01585	0.4
53.03928	2.9
55.01855	1.0
65.03927	13.3
66.03449	0.5
67.04236	1.5
67.05496	2.5
71.70708	0.6
75.05358	0.4
79.05478	19.0
80.05005	7.0
80.05781	0.3
80.97673	0.3
91.05461	100.0
92.05780	1.6
92.06287	2.2
93.05795	0.8
95.04945	3.8
96.04469	1.0
99.98449	0.4
103.05444	0.7
105.04506	1.1
105.07005	27.9
106.07337	0.9
107.04935	8.6
107.06062	3.3
107.08569	34.1
108.04453	2.0
108.05563	1.7
108.08086	2.1
108.08843	0.8
109.06496	16.9
119.06052	4.3
121.31260	0.4
123.18250	0.4
124.05173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	2.3
51.02371	6.5
53.03936	44.1
54.04273	0.9
55.01859	3.3
60.04511	0.5
60.08135	0.3
61.08491	0.2
65.03944	0.3
67.05498	0.3
68.99791	0.5
70.08277	1.3
77.03913	9.6
78.65101	0.2
79.05476	4.3
79.27428	0.2
81.03400	5.7
90.18545	0.2
95.04948	100.0
96.04474	0.4
96.05280	1.9
98.03654	0.3
98.21360	0.3
103.05441	3.1
104.05789	0.3
105.03378	48.5
105.04467	22.7
105.07001	8.9
105.11051	0.9
106.03709	0.9
106.04836	0.6
106.06544	1.6
109.34694	0.2
118.06486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.07
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.5
53.03937	12.7
60.08139	1.6
61.08477	2.6
65.03924	7.2
73.59373	0.9
77.03910	3.1
79.05481	51.0
80.05789	0.9
81.03416	1.2
95.04953	24.7
103.05454	33.3
104.05779	0.8
104.54206	0.7
105.03419	0.9
105.04534	4.9
105.07011	100.0
105.10406	1.1
105.11049	5.6
106.06583	1.6
106.07362	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	105.07
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01585	0.8
51.02372	1.6
53.03715	1.1
53.03940	15.2
54.47729	0.8
57.45774	0.8
65.03914	3.9
71.70370	0.9
77.03906	2.9
79.05478	53.2
80.05814	1.8
91.05480	2.0
95.04949	27.5
96.04475	1.9
103.05450	31.9
105.03361	1.3
105.04504	8.1
105.07011	100.0
105.11107	1.7
106.06525	5.6
106.07362	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02357	2.3
53.03939	14.3
55.01848	0.6
59.06936	0.6
60.04527	1.1
60.30727	0.5
61.08493	0.8
65.03929	2.7
70.06596	0.7
71.71045	0.8
77.03927	3.2
79.05482	51.2
80.05830	1.4
81.03394	1.6
95.04956	27.6
96.04478	1.2
96.05272	0.6
103.05454	34.2
104.90765	0.8
105.03374	2.3
105.04519	7.2
105.07014	100.0
105.11070	3.2
106.06536	3.0
106.07342	3.3
109.18465	0.5
118.92786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.2
51.02377	0.7
53.00313	0.1
53.03938	5.2
54.04263	0.1
55.01868	0.3
56.96558	3.2
60.95844	0.2
65.03928	0.5
66.03452	0.2
67.04234	2.2
67.05497	0.2
68.24741	0.1
70.87466	0.3
71.01326	0.1
77.03916	1.1
77.56455	0.1
79.05481	100.0
80.05012	4.1
80.05796	2.9
80.06258	0.2
81.03401	0.8
81.04531	0.2
81.99975	0.1
84.01536	0.2
91.00533	0.1
91.05462	3.7
93.02026	0.2
93.05784	0.2
95.04952	11.6
96.04452	0.4
96.05304	0.3
100.02467	0.2
102.02144	0.1
105.04494	2.4
105.07030	0.8
106.06550	0.2
107.04944	7.4
107.06041	2.1
107.06823	0.2
107.08571	0.8
108.04493	1.3
108.05616	0.8
108.08079	0.8
109.06508	0.5
119.05994	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	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02368	0.9
52.11389	0.6
53.03941	7.8
55.01853	1.4
63.02342	0.9
65.03931	18.4
67.05498	6.0
77.03909	0.9
79.05483	59.4
80.05005	3.4
80.05783	1.4
81.03413	1.1
91.05466	100.0
92.05774	1.6
92.06247	4.5
93.05765	1.1
93.71700	0.6
95.04951	11.2
96.04514	1.1
96.05253	0.6
98.20742	1.6
105.04493	2.7
105.07022	25.7
105.07722	1.7
107.04947	15.8
107.08576	20.3
108.04485	4.2
108.08163	4.6
108.08846	1.4
109.06505	10.2
119.06022	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	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16949	0.2
53.02731	0.3
58.06589	5.2
59.07366	1.9
59.77487	0.2
60.08154	55.2
61.08491	0.3
69.03416	0.6
70.90041	0.3
70.90393	0.4
77.73950	0.2
80.85445	0.2
87.04445	1.3
98.19441	0.2
103.46615	0.2
104.10724	100.0
105.11066	0.8
106.85239	0.2
118.69404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	5.3
53.03715	3.4
53.03944	44.1
53.70431	2.2
60.08163	2.7
61.08484	2.3
65.03908	2.8
71.70205	2.2
71.70656	2.6
73.06541	2.0
77.03915	9.9
79.05479	52.4
81.03356	2.6
95.04955	70.3
96.04513	2.7
103.05472	32.6
104.05747	2.5
105.03397	22.3
105.04505	21.1
105.07013	100.0
105.11046	12.5
106.06561	3.6
106.07346	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	4.9
58.06884	0.2
59.07375	1.6
60.08157	51.8
61.08500	0.5
70.95576	0.3
86.09688	0.2
104.10732	100.0
105.11052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53010	0.4
58.06592	8.3
59.07375	2.6
60.08155	75.5
61.08505	0.6
62.74472	0.4
69.56657	0.4
84.47122	0.4
91.23116	0.4
97.24378	0.3
98.21581	0.8
104.10728	100.0
105.11060	1.4
105.57747	0.3
109.20722	0.4
110.43822	0.4
112.64458	0.3
115.23722	0.4
121.00363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82055	1.3
57.95723	1.6
58.06591	7.1
59.07362	1.6
59.46227	1.5
60.08155	49.8
71.08063	4.2
94.21902	1.5
104.10728	100.0
105.11064	2.9
109.67993	1.6
114.76947	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	1032.6078
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69692	2.6
71.70071	2.8
79.05478	42.3
81.03406	7.0
81.07041	100.0
83.04963	4.4
83.08602	17.0
83.26363	1.8
83.52141	1.6
85.02899	4.4
85.06544	3.4
91.03938	2.8
91.05463	39.1
93.07023	34.2
95.04959	13.6
95.08587	35.3
97.02866	3.8
97.06491	11.3
97.10159	2.7
99.08107	3.3
104.06134	2.0
105.07007	40.0
107.04934	12.0
107.08576	23.4
109.06500	31.8
109.10122	9.9
111.04439	4.0
111.08112	5.1
117.06994	14.8
119.08556	29.0
121.06477	7.7
121.10108	17.2
123.08061	10.2
123.11697	8.7
125.09588	3.0
129.06993	5.3
131.08545	18.6
133.10109	23.4
135.08066	7.8
135.11646	9.2
137.09615	8.2
141.06967	2.3
145.10100	11.5
147.11670	21.4
149.09602	13.4
149.13225	11.6
151.11192	3.4
157.10089	8.4
158.90532	2.1
159.11681	8.5
161.09624	2.4
161.13263	2.7
163.11140	10.0
163.14786	4.0
165.12769	5.6
169.10056	2.9
171.11697	3.9
173.13202	4.0
175.11250	2.7
177.12730	4.7
187.11223	2.2
187.14778	2.3
189.12727	2.6
229.19528	3.6
239.17908	4.1
247.20453	6.5
257.19028	4.5
267.16092	3.5
269.17645	3.5
275.20013	86.3
293.20999	13.2
307.22610	5.2
308.33334	2.0
322.07983	2.0
349.23682	80.8
367.24722	62.6
368.24841	2.0
381.26279	35.7
392.71259	2.0
396.37399	2.1
459.31570	2.3
543.36621	4.0
553.35876	2.0
575.39417	2.5
583.20929	2.3
623.32947	4.2
623.42975	86.5
624.43213	3.8
641.43970	74.6
655.45758	19.0
659.44775	13.8
673.46558	69.2
675.36823	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.5
53.03938	27.9
55.01855	1.6
56.05033	5.4
56.96543	2.3
57.03415	2.4
57.04526	1.1
57.05361	5.0
58.02938	1.5
58.06361	0.6
58.06594	7.1
59.06113	8.6
60.04505	3.0
60.08151	12.0
60.95824	2.0
62.06079	9.9
62.92970	2.0
67.56408	0.7
68.05015	1.0
69.03414	3.9
71.06860	1.6
71.07210	0.6
73.07667	1.8
74.02428	1.5
74.06084	1.0
75.02763	1.6
75.05585	2.1
77.03922	6.0
81.03403	3.6
85.02901	3.3
85.04804	1.5
85.07647	2.1
86.06056	8.3
87.04450	4.0
95.04950	46.9
102.04659	6.0
102.96842	0.9
103.04002	4.9
103.05447	100.0
103.08674	19.8
104.05787	2.5
104.10722	21.7
105.04494	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	1018.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	2.7
71.08607	0.8
73.02892	1.5
77.03913	1.1
79.05476	41.8
79.72802	0.6
81.03416	4.7
81.07039	100.0
82.07378	1.3
83.04965	6.9
83.08600	15.1
85.02878	5.8
85.06528	3.6
91.03955	3.3
91.05458	37.9
93.07026	33.8
94.07333	0.6
95.04952	14.7
95.08585	30.7
97.02859	4.5
97.06510	11.4
97.07100	1.0
97.10173	3.0
99.04430	0.6
99.08060	4.7
103.05466	1.1
105.07008	36.2
107.04939	11.0
107.08572	21.6
107.09310	0.6
109.06494	31.4
109.10140	10.6
110.06862	1.0
111.03473	0.6
111.04349	1.0
111.08035	4.9
115.05430	2.0
116.06226	0.7
117.06985	7.9
119.08554	30.5
120.08843	0.7
121.06501	5.9
121.09246	1.3
121.10117	19.0
123.08041	9.0
123.11681	9.1
125.09579	2.1
127.03903	1.6
127.07462	0.6
128.06218	1.6
128.97342	0.7
129.06993	4.5
130.07719	0.8
131.08551	15.5
133.06442	1.4
133.10107	20.5
135.08017	6.2
135.11673	9.0
137.09575	5.6
137.13232	1.2
139.11128	1.2
141.06999	1.1
141.12723	0.6
142.07791	0.6
143.08556	3.1
144.09291	0.8
145.04930	1.5
145.06453	1.3
145.10092	14.3
147.08014	1.7
147.11649	23.3
148.11949	1.0
149.09589	11.5
149.13217	9.6
151.07510	1.0
151.11157	4.8
155.08583	1.3
157.10086	4.6
159.08049	0.8
159.11655	10.6
161.09621	1.9
161.13242	4.7
163.05965	2.6
163.11133	10.0
163.14757	3.3
165.09001	0.7
165.12732	6.5
169.10065	1.7
171.10391	0.7
171.11575	3.4
173.09624	1.6
173.13214	5.2
175.11163	4.3
175.14746	0.8
177.12714	4.0
179.10661	0.8
179.14278	1.9
180.64914	0.6
181.89838	0.6
183.11674	2.5
185.13156	0.9
187.11107	1.2
187.14771	1.9
189.12712	1.3
191.14372	1.6
193.12218	2.4
195.13864	0.8
197.13214	1.7
201.12704	1.5
205.15945	0.8
205.19661	0.7
207.13763	1.2
211.14864	0.6
217.15898	0.8
219.13930	0.9
219.17348	0.9
223.13141	0.8
229.19502	3.3
233.15437	0.6
233.19150	0.7
239.17949	2.0
247.20557	5.2
257.18958	6.4
261.22137	1.4
267.15881	2.3
269.17441	1.5
275.20004	76.2
276.20377	2.6
291.19647	1.5
293.21072	14.2
293.24136	1.1
294.21014	0.9
297.04037	0.5
309.20450	0.6
331.22552	0.8
349.23657	72.5
350.24127	2.8
353.26898	1.4
367.24728	78.6
368.25003	1.7
431.24896	0.7
543.36572	2.4
559.35535	1.1
561.37799	0.8
567.40167	1.2
577.36475	0.7
585.40692	1.0
605.41467	0.8
623.42938	57.5
624.43060	3.5
641.43994	70.5
642.44153	4.7
645.28271	0.8
659.45038	71.7
660.45557	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04646	0.7
71.04984	5.3
71.17511	0.8
73.02905	1.3
79.05483	48.3
81.03417	7.9
81.07046	90.7
82.07394	1.2
83.04971	10.7
83.08610	26.9
84.62344	0.8
85.02890	6.9
85.06529	3.7
91.05465	44.9
92.05759	0.8
93.07034	43.5
95.01322	0.7
95.04953	42.6
95.08590	33.0
97.02866	2.7
97.06516	14.3
97.10159	11.2
99.04447	4.0
99.08060	2.5
102.31010	0.9
103.05424	1.8
105.07016	47.0
106.07314	0.8
107.04943	16.2
107.08577	36.4
109.02865	1.0
109.06504	21.4
109.10139	15.7
110.63136	0.7
111.04431	6.1
111.08061	7.6
113.05975	1.0
113.09637	1.0
115.05418	1.6
117.06188	0.7
117.07006	17.4
119.07727	1.8
119.08565	35.4
121.06480	7.0
121.10127	21.6
123.04403	1.5
123.08052	9.7
123.11689	9.7
125.05967	1.3
125.09608	12.2
127.03893	2.7
129.05481	1.3
129.06970	6.2
130.07803	1.4
131.08557	22.7
133.06493	2.3
133.10107	25.1
135.08012	8.3
135.11678	11.7
136.67870	0.8
137.05974	1.0
137.09619	4.7
137.13243	1.5
139.11201	2.5
141.06981	2.0
143.08566	6.0
145.04965	1.1
145.06464	2.5
145.08961	1.5
145.10103	26.5
147.08028	4.4
147.11664	23.1
149.09602	23.9
149.13243	8.7
151.11104	3.9
153.09070	1.9
153.12735	1.8
155.08528	2.4
157.10156	5.2
158.10483	0.8
159.08018	1.7
159.11673	13.6
161.09567	2.7
161.13242	6.3
163.11166	24.4
163.14763	2.0
165.09082	1.0
165.12718	7.1
169.10091	4.3
171.10228	1.7
171.11659	4.6
173.09583	2.7
173.13235	6.7
175.11156	4.6
175.14830	1.5
177.12706	6.3
179.14308	2.9
181.12202	1.1
183.11635	4.0
185.13210	2.3
187.11131	3.1
187.14796	1.2
188.72775	0.8
189.11179	5.7
189.12666	1.7
189.16290	1.2
191.10669	1.4
191.14337	2.2
193.12238	2.5
195.13750	1.7
197.13222	3.4
199.14769	1.7
201.12732	1.0
205.12189	4.5
207.13774	1.1
211.13214	1.1
215.14388	0.9
215.18015	1.6
217.16092	0.8
219.13809	1.2
221.15468	0.9
223.13260	19.7
223.15331	1.4
227.12723	6.8
229.14317	1.9
229.19467	4.3
237.14705	1.0
239.17856	4.9
247.20479	4.6
257.19070	10.1
267.15826	2.1
269.17450	3.8
275.20023	100.0
276.20407	3.8
291.19235	0.9
293.21060	31.6
294.21490	1.3
311.22119	1.6
331.22662	2.8
334.62558	0.8
349.23679	73.0
350.24011	3.3
367.24747	97.5
368.25110	4.1
386.17740	0.9
419.27335	0.9
423.27200	0.9
449.29102	1.9
463.30609	2.1
503.33820	1.5
519.33063	1.9
521.33997	0.9
529.34937	2.9
543.36523	8.0
544.36957	0.9
545.38129	1.1
561.37769	2.5
567.39893	1.3
605.41016	1.2
612.04401	0.9
623.43018	43.8
624.42963	3.3
641.43988	80.8
642.44342	6.0
659.45099	80.0
660.45514	8.0
663.37524	1.0
842.24042	1.0
887.53802	0.9
1019.52258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01324	0.9
73.02885	1.2
77.03906	1.6
79.05481	47.5
81.03406	11.8
81.07043	53.8
82.07386	1.0
83.04958	8.2
83.08607	12.5
85.02890	3.1
85.06513	3.0
87.04455	0.8
91.03942	1.6
91.05464	40.1
92.06251	0.7
93.07028	39.2
95.01336	1.2
95.04956	14.8
95.08591	23.6
97.02881	11.1
97.06516	12.3
97.10154	19.7
99.08050	1.8
103.05440	2.0
105.03418	0.8
105.04472	1.1
105.07017	32.9
107.04934	14.0
107.08575	33.5
109.02837	2.2
109.06492	8.5
109.10141	14.5
111.04409	2.2
111.08055	4.3
115.05437	2.3
116.06190	1.0
117.07004	18.1
119.04890	1.6
119.08557	26.3
120.05664	1.1
121.06510	6.1
121.10120	11.8
122.63715	0.7
123.04388	1.6
123.08038	6.1
123.11669	2.8
125.09612	16.0
127.03905	2.2
128.06175	2.2
129.05467	1.2
129.07008	7.9
130.07719	1.5
131.04837	0.8
131.07545	1.0
131.08539	19.3
133.06482	4.0
133.10104	18.0
134.07213	1.2
135.08044	7.1
135.10722	1.1
135.11671	9.4
137.09578	3.3
138.75511	0.7
139.11197	1.0
141.06972	2.6
142.07811	0.9
143.08516	6.1
144.09285	0.9
145.04893	0.9
145.06456	1.9
145.10115	17.0
146.10434	1.0
147.08047	8.3
147.11653	10.0
149.09587	9.1
149.13219	6.0
151.07602	0.9
151.11110	2.3
153.09042	1.9
155.08516	2.6
157.10097	4.8
159.08099	1.1
159.11661	9.7
161.09576	5.4
161.13271	3.9
162.10321	1.0
163.11151	8.7
165.09097	2.0
165.12741	1.6
169.10081	3.3
169.12224	0.9
171.07959	0.9
171.10324	0.7
171.11655	4.1
173.09555	1.0
173.11798	1.2
173.13185	4.1
175.11180	4.4
175.14784	1.6
177.12755	3.9
179.10588	1.3
179.14256	1.0
183.11685	3.1
185.13167	1.6
187.11223	1.6
187.14819	1.4
189.11218	8.9
189.12781	1.3
191.10559	0.9
193.12206	1.7
195.11713	0.8
195.13747	2.9
197.13301	1.2
201.12735	1.2
205.12271	2.9
213.12851	1.0
213.14722	0.9
213.16544	0.8
215.14523	0.7
215.17972	1.0
223.13243	16.4
223.15331	1.1
227.12738	17.5
227.17856	1.5
229.14236	1.4
229.19495	1.8
233.01595	0.8
233.15347	1.7
239.17894	1.8
245.18869	1.1
247.20581	2.2
249.14915	4.2
253.14320	2.3
253.17972	0.8
255.15605	4.4
257.19003	7.5
259.20413	1.4
263.20172	0.9
267.15872	1.9
267.89661	0.8
269.17426	12.7
273.18445	18.9
273.21414	0.9
275.20029	28.8
275.23041	1.5
276.20514	1.6
291.19495	100.0
292.19867	2.6
293.18015	0.7
293.21014	3.7
303.15869	0.9
309.20651	2.1
321.24384	0.9
331.22556	2.4
333.24298	2.0
347.22327	3.4
349.23676	26.4
365.23175	48.9
366.23648	0.9
367.24713	4.1
413.21722	1.2
443.33020	0.7
453.30304	0.8
461.28915	2.4
479.29660	0.9
519.32947	4.3
527.34180	0.8
535.32538	3.8
541.35260	3.9
543.36450	1.8
545.34686	12.5
559.36230	50.8
560.36444	1.4
611.42963	0.8
621.41064	3.3
639.42493	54.4
640.42517	2.5
657.43445	8.9
703.40515	1.7
801.46960	2.5
819.47668	2.0
847.57501	1.1
854.48218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16491	0.8
71.43351	2.1
73.02885	1.8
77.03902	1.4
79.05478	49.6
81.03408	10.2
81.07041	86.0
82.07360	1.0
83.04961	8.0
83.08102	0.9
83.08601	18.0
85.02892	5.3
85.06543	4.2
88.59287	0.9
91.03931	2.0
91.05463	47.2
93.07027	35.3
95.01333	1.0
95.04951	20.2
95.07999	1.7
95.08585	27.2
97.02887	12.6
97.06512	10.9
97.10157	16.0
99.08058	2.6
103.05434	1.5
105.07011	32.9
105.07719	1.8
107.04930	18.1
107.08576	28.9
109.06499	22.4
109.10139	16.7
111.04410	1.7
111.08040	5.3
115.05424	2.2
117.06993	13.5
119.04882	2.0
119.07729	1.7
119.08559	31.2
121.06479	8.2
121.10126	14.7
123.04414	1.4
123.08044	6.8
123.11684	5.6
125.09611	11.5
127.03862	1.4
128.06192	1.5
129.06985	7.2
130.07790	1.4
131.08545	16.6
133.06462	4.9
133.10109	20.8
134.07243	2.1
135.08023	6.8
135.11679	6.7
137.09596	4.3
139.11131	1.0
141.06949	2.0
143.08493	5.6
145.06439	1.9
145.10100	14.6
147.08009	8.0
147.11650	17.6
149.09604	8.9
149.13205	7.0
151.11171	4.2
155.08560	1.6
157.10118	5.4
159.07956	1.7
159.11674	8.9
161.09589	3.5
161.13222	3.0
162.10419	0.9
163.11174	8.9
163.14709	0.9
165.09064	1.1
165.12653	4.3
167.08600	1.0
169.10080	2.5
171.10199	1.6
171.11650	3.3
173.09633	1.7
173.11833	0.9
173.13301	4.1
175.11165	6.3
175.14819	1.3
177.09106	1.0
177.12679	3.7
179.14304	1.8
183.11687	1.7
185.13181	2.4
187.14784	1.8
189.11179	3.7
189.12683	1.1
193.12157	1.4
195.13779	1.8
197.13181	1.2
205.12181	2.1
205.15871	1.2
207.13734	0.9
222.04308	0.9
223.13249	19.3
227.12735	5.6
229.19504	1.6
237.16194	0.9
239.17888	1.2
245.19095	1.5
246.80054	1.0
247.20586	2.7
249.14827	4.9
253.14317	5.9
257.18939	3.3
263.20047	1.7
267.15854	2.9
273.18433	17.3
275.20007	50.1
276.20618	1.0
291.19489	100.0
292.19803	1.6
293.21060	7.3
331.22504	1.0
347.22018	5.0
349.23676	30.1
365.23163	71.5
366.23364	1.0
367.24728	25.1
519.33014	2.5
529.36444	1.0
541.35040	2.8
545.34875	1.7
559.36316	4.5
575.35712	1.3
583.40118	1.9
621.41284	3.0
639.42438	86.7
640.42560	3.9
657.43481	60.5
658.43182	3.4
783.46204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	14.0
56.96555	2.7
57.04541	2.5
58.96173	1.8
59.06116	29.1
60.04520	8.9
60.95840	3.1
68.76613	1.3
71.28477	1.9
71.28801	1.5
74.02445	2.3
74.06075	3.2
78.00948	1.5
79.01853	2.1
82.01400	1.3
83.01514	6.2
83.06100	2.5
84.01189	2.9
84.04503	3.7
100.02465	6.4
101.00875	14.1
101.02551	25.0
101.07122	6.2
102.02216	12.4
118.03522	2.0
119.01907	100.0
119.03607	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	101.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05505	2.2
56.05029	28.0
56.96559	1.5
57.03430	0.7
57.04552	4.1
57.05357	0.3
57.05802	0.2
57.07066	0.1
58.02955	0.9
58.03197	0.1
58.05339	1.7
58.06594	1.5
59.04989	1.0
59.06116	100.0
60.04517	14.6
60.05830	0.2
60.06451	0.7
60.95847	0.4
67.51067	0.2
68.05015	0.3
69.04541	0.8
71.06097	0.2
71.70615	0.2
72.06893	1.5
72.08148	0.8
73.02909	0.7
73.07658	1.1
74.02431	8.0
74.06071	6.0
76.51569	0.2
79.01842	0.4
83.04996	0.8
83.06093	4.5
83.06856	0.2
84.04492	8.2
84.06418	0.2
84.06871	1.4
84.08134	0.6
85.02895	2.4
88.02351	0.4
89.00226	0.2
99.24642	0.1
100.98849	0.3
101.03491	0.7
101.06026	0.5
101.07129	14.4
101.07877	0.8
101.10732	0.2
102.04887	0.3
102.05527	4.3
102.07427	0.2
102.09158	0.9
102.12796	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.5
55.01825	1.2
55.05505	2.4
56.05025	2.4
56.96560	5.3
57.03400	1.1
57.56363	0.4
58.06555	0.8
58.99847	3.3
59.04968	1.1
59.06111	3.3
59.52156	1.2
59.99929	2.2
60.04473	0.9
60.95806	1.9
60.99583	0.9
65.52153	0.8
68.02596	1.4
69.01884	0.7
70.49861	1.7
70.99808	1.3
71.01282	0.6
72.52939	1.1
73.02885	1.9
74.02428	4.0
74.06066	2.2
74.52664	0.7
75.93233	0.4
76.02625	0.5
77.00889	3.6
77.78342	0.5
78.00940	1.3
79.00624	0.7
79.01828	1.1
79.51918	0.6
80.52699	0.8
81.01834	0.5
81.53456	0.9
82.01405	2.1
82.99791	0.9
83.01489	3.3
83.04951	0.8
84.01160	1.3
84.04468	1.3
85.02867	0.9
86.52677	1.2
89.00839	0.9
95.01914	1.2
96.02061	0.6
98.97525	0.4
100.02472	9.2
101.00864	16.7
101.02540	22.4
101.05997	0.9
101.07154	0.6
101.07919	0.7
102.00964	0.9
102.02219	10.2
102.05521	1.8
102.09137	0.7
103.02411	0.8
115.01194	1.0
118.03488	5.5
119.01902	100.0
119.03596	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	1007.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02963	2.6
70.03378	5.2
71.01316	4.8
71.04972	6.3
73.02522	1.7
73.02901	22.1
75.04455	4.7
77.03925	4.0
79.05479	90.6
81.03398	25.5
81.07040	93.2
82.93781	1.4
83.01308	1.7
83.04968	8.7
83.08601	20.0
85.02888	66.1
85.06520	5.5
87.04437	4.1
87.95499	1.6
91.03941	29.5
91.05464	99.1
93.07027	97.8
94.07368	1.8
95.04939	20.5
95.08591	83.7
97.02875	61.2
97.06499	8.6
97.10155	10.1
99.04442	12.3
99.08052	3.5
101.02348	8.7
103.03940	8.8
103.05440	3.4
103.19336	1.4
105.04509	3.5
105.07011	100.0
106.07336	1.7
107.04913	3.6
107.08575	68.6
109.02880	10.0
109.06516	7.6
109.10134	33.9
111.04424	3.6
111.08027	5.9
115.03913	4.8
115.05449	8.7
117.05408	1.7
117.06997	49.6
119.08556	77.8
121.06476	4.0
121.10123	48.2
123.08016	5.4
123.11678	9.6
125.09617	5.0
127.03886	20.6
128.06194	13.3
129.05522	7.8
129.06972	40.9
130.07787	4.3
131.04948	1.5
131.08545	71.4
133.04927	1.6
133.06477	2.7
133.10109	60.7
135.08003	6.4
135.11670	36.9
137.09560	4.5
137.13217	4.5
139.11195	2.7
141.06958	16.7
142.07797	8.8
143.08542	47.0
144.09233	4.3
145.04913	8.7
145.06462	3.6
145.10100	60.1
147.07980	1.6
147.11661	50.8
149.09567	6.2
149.13235	23.0
151.11153	2.6
153.06943	3.0
154.07726	5.2
155.08527	30.8
156.09280	5.8
157.10097	47.7
158.10802	2.0
159.06548	1.5
159.08058	2.0
159.11664	50.8
160.12367	1.5
161.09601	2.9
161.13232	28.6
163.05989	3.1
163.11136	6.4
163.14786	7.8
165.06966	2.5
166.07785	2.9
167.08517	12.6
168.09308	3.8
169.10080	38.1
170.10880	3.6
171.06490	1.4
171.07930	1.6
171.11661	40.6
173.13228	35.6
175.11147	3.7
175.14780	14.5
177.12764	3.8
177.16345	2.4
179.08519	6.2
179.14235	2.6
180.09285	3.3
181.10066	17.6
182.10832	4.0
183.06505	3.5
183.11655	32.4
184.12366	2.0
185.09628	1.8
185.13223	35.4
187.11282	1.8
187.14781	15.3
189.12698	2.4
189.16385	3.6
191.10735	1.5
191.14354	2.5
193.10110	5.9
195.07884	1.6
195.11664	20.0
196.12473	2.0
197.13217	27.1
199.11128	2.4
199.13055	2.4
199.14771	21.4
201.07506	2.8
201.16374	7.0
203.14255	3.8
203.17836	4.2
205.10126	2.9
205.15804	1.6
207.11679	10.8
209.13208	19.5
211.14784	15.7
213.12889	2.1
213.16353	14.7
215.17955	5.0
217.19479	2.5
219.11635	3.5
219.17346	2.3
221.13245	7.3
223.14790	12.1
225.12778	1.9
225.16319	11.1
227.17950	7.0
231.21013	2.0
233.13214	2.6
235.14767	6.6
235.16876	1.9
237.16359	10.5
239.18001	9.1
241.15860	2.1
241.19513	21.4
245.19029	1.5
249.16359	4.7
251.17996	5.7
253.19492	3.2
255.17409	3.2
255.21106	1.8
257.18942	6.1
259.17593	2.3
259.20523	44.8
261.16312	3.3
265.19684	1.6
267.21063	1.5
269.19150	1.9
271.20578	3.0
275.20291	2.8
277.21835	7.5
279.20929	2.5
281.19046	3.4
281.22379	1.5
283.20557	4.1
285.18625	1.9
285.22101	3.0
293.22244	1.4
295.20813	3.3
297.21869	3.3
299.20200	2.9
299.23563	2.0
301.21585	4.7
307.20270	1.8
309.22043	4.8
311.23611	2.5
313.21710	3.5
313.25089	1.9
315.23065	5.4
319.20422	1.5
321.22107	3.6
323.23471	4.5
325.21515	2.1
325.25076	3.0
327.22964	2.6
329.24808	1.8
331.22684	3.6
333.24271	34.8
335.23273	1.8
337.25192	3.1
339.23090	3.2
339.26788	3.4
341.24625	1.7
349.24866	3.3
351.25320	33.3
359.25797	1.9
361.24362	2.2
363.25861	4.5
365.28412	2.6
369.28009	3.1
375.25531	3.7
377.28287	2.2
379.29968	3.3
381.27603	2.8
385.23511	2.1
393.27274	2.0
395.29153	2.4
397.27444	1.6
405.30554	2.5
417.31271	2.6
423.32773	2.5
425.30154	2.1
431.31393	4.3
435.32596	2.4
439.31967	2.2
441.26129	4.8
443.31857	2.9
447.32242	5.1
459.27243	4.2
465.33163	1.8
473.34390	2.0
477.28387	4.0
495.29227	9.3
499.39090	4.2
503.36020	1.7
515.38696	1.8
517.33496	2.4
517.40375	20.5
521.36060	1.8
533.39697	3.1
535.41870	10.6
571.39996	1.6
573.42773	2.8
575.39044	2.7
585.37781	1.6
589.41223	2.6
591.43933	24.2
607.41888	1.6
609.35968	2.0
609.45129	25.9
625.42761	3.3
627.45911	7.7
665.47742	11.2
681.46100	2.5
683.48712	98.3
684.48529	3.9
695.48224	2.3
699.45264	3.0
701.49414	4.7
717.46655	3.5
725.49677	3.3
735.47687	4.5
753.49188	9.0
771.49432	3.0
773.48639	1.8
791.50555	7.4
809.51715	7.6
827.53131	17.8
845.53937	54.8
846.53760	2.1
955.76178	1.8
1025.23706	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	1004.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04961	2.9
71.08606	2.1
71.71689	1.0
73.02885	1.5
73.61801	0.8
79.05018	1.9
79.05481	42.9
81.03387	3.8
81.07043	66.8
83.04966	6.3
83.08613	12.8
85.02900	5.5
85.06512	3.0
86.77283	0.9
91.03929	2.9
91.05463	31.7
93.07027	50.5
94.25436	0.9
95.04944	7.5
95.08588	42.8
97.02871	3.4
97.06536	6.4
97.10142	9.3
99.08073	2.7
104.88087	1.0
105.04512	1.2
105.06330	1.7
105.07013	25.1
107.04945	3.5
107.08578	34.0
108.08949	0.9
109.06499	5.9
109.10140	40.2
111.08056	4.0
117.07002	10.5
119.08560	20.2
121.06426	1.6
121.10127	21.3
123.08042	2.9
123.11678	6.6
125.09612	6.1
127.03864	1.8
128.06212	1.2
129.05515	1.0
129.06972	4.4
131.04947	1.1
131.08537	17.6
133.10115	19.2
135.08028	3.7
135.11661	14.4
137.09586	4.7
137.13263	1.6
141.07074	1.0
143.08519	4.1
145.04921	1.4
145.10112	15.1
147.11646	10.0
149.09595	4.4
149.13242	9.5
151.11165	3.2
155.08585	1.3
155.10622	2.1
157.10123	4.6
159.11667	10.5
161.09608	1.8
161.13257	6.7
163.06030	1.6
163.11176	3.9
163.14786	2.2
165.12733	1.1
169.10106	3.0
171.11653	3.5
173.09439	0.9
173.11703	7.9
173.13242	7.9
175.14789	2.2
177.12700	1.8
177.16293	1.3
179.10776	1.1
183.11658	3.8
185.13211	1.9
187.11214	1.2
187.14760	2.9
189.11177	2.5
189.12720	1.4
191.14311	1.4
195.11745	1.4
195.13721	1.9
199.14777	1.7
201.16388	1.3
203.10663	1.0
207.13931	1.6
213.14792	1.4
227.12704	6.8
229.14314	36.7
239.17947	2.4
240.29520	0.9
241.19382	1.2
243.20966	3.7
247.20578	1.0
249.18568	1.1
257.18994	5.3
259.20569	5.0
261.22131	12.5
267.15802	1.4
269.17429	10.7
275.20050	18.6
276.20245	1.1
277.21472	1.2
293.21130	3.4
317.24615	2.6
331.22653	2.3
333.24265	5.7
335.25757	100.0
336.26056	2.3
340.37088	1.1
349.23648	20.4
351.25314	2.3
367.24771	13.6
413.21683	1.3
471.34564	3.6
489.35721	40.6
505.35461	2.0
507.36716	3.8
515.36890	2.3
527.37177	6.1
529.38818	41.8
545.37964	1.2
547.39496	1.1
553.41895	1.3
567.09656	1.1
591.44708	1.4
609.45087	50.4
609.55084	2.4
610.45538	2.0
627.46106	31.9
633.39642	3.0
633.49683	1.2
647.12921	1.1
673.42865	2.1
771.49615	1.8
849.75824	1.3
876.76031	1.1
1005.52045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48406	14.3
71.01322	1.5
71.04979	6.3
72.07104	1.2
73.02904	3.8
74.09660	1.3
77.03902	2.0
79.05479	93.0
81.03400	16.2
81.07040	100.0
82.07385	2.1
83.04976	11.3
83.08602	21.2
85.02897	15.3
85.06528	6.0
91.03931	4.4
91.05462	99.3
92.05798	1.9
93.07027	98.0
95.04951	20.0
95.08586	62.9
97.02885	10.9
97.06526	13.0
97.10152	13.2
99.04454	2.2
99.08080	3.9
101.02364	2.2
103.05418	3.2
104.06140	1.3
105.07011	96.8
106.07334	3.0
107.04929	8.1
107.08571	59.3
109.02842	3.5
109.06507	8.6
109.10138	28.3
111.08059	8.4
113.09657	1.7
115.05434	5.8
116.06261	1.4
117.06998	38.5
119.04893	1.5
119.08556	69.7
121.06482	6.1
121.10121	36.9
123.08041	7.5
123.11678	8.6
125.09624	8.7
127.03907	6.1
128.06201	6.0
129.05530	2.5
129.06979	27.3
130.07753	4.1
131.08543	47.8
133.06485	3.3
133.10109	57.5
135.08026	6.1
135.11665	27.1
137.09625	6.3
137.13191	1.9
141.06955	9.2
141.09096	1.4
142.07755	5.0
143.08528	26.9
144.09306	2.4
145.04875	1.7
145.06422	2.4
145.10095	38.5
145.11217	2.5
147.08020	5.9
147.11659	42.8
148.12119	1.5
149.09599	10.6
149.13210	14.2
151.11136	3.8
153.06984	3.2
153.08994	1.5
154.07811	2.8
155.08527	16.6
156.09311	2.7
157.10089	24.2
158.10966	1.5
159.08066	2.7
159.11670	34.7
161.09625	4.8
161.13220	20.1
163.11125	9.3
163.14796	6.1
165.12775	2.1
166.07794	2.4
167.08562	5.5
169.10083	14.4
170.10796	1.5
171.08046	1.7
171.10202	2.0
171.11652	25.8
173.04460	4.5
173.09657	2.9
173.11818	2.6
173.13223	17.4
175.11160	4.1
175.14781	9.4
177.12773	4.3
179.08607	4.3
179.14284	2.3
180.09357	1.4
181.10075	7.6
183.11652	18.4
185.09666	2.0
185.13203	20.3
187.11131	3.0
187.14767	7.2
189.11191	4.1
189.12709	3.2
189.16449	2.1
193.10072	3.8
193.12199	2.3
195.11681	9.6
195.13692	2.8
197.13228	13.6
199.11076	2.1
199.14844	10.0
201.16360	3.6
207.11678	4.0
209.09782	1.4
209.13222	6.7
211.11136	1.4
211.14825	5.7
213.12703	1.8
213.16374	5.6
215.17903	2.5
217.15855	2.6
219.13765	1.4
221.13280	3.1
223.14755	6.6
225.16406	4.2
227.12732	3.3
227.18037	2.6
229.14192	3.2
229.19464	3.1
231.17516	3.3
231.20999	2.7
233.15565	2.0
235.14906	2.0
235.16997	1.7
237.16370	4.3
239.17932	5.4
241.19472	18.4
243.21132	2.2
247.20450	3.1
249.16338	2.2
251.17935	1.9
253.14192	3.1
253.19728	1.6
255.15796	7.9
257.18927	9.3
259.20520	53.9
260.20804	2.8
261.22144	3.5
263.17877	2.3
265.19385	1.9
267.15762	2.1
269.17355	15.3
271.20474	2.3
273.18634	2.4
275.20029	21.3
276.20404	2.4
277.21674	1.9
283.20367	2.5
285.22308	2.2
297.22046	2.1
299.19949	2.6
301.21555	2.1
309.22089	2.0
311.23495	1.3
313.21582	3.7
315.23111	9.0
323.23666	1.7
325.21509	3.2
325.25140	1.6
327.23383	1.7
331.22534	2.7
333.24237	54.7
334.24109	1.4
335.25723	4.2
339.23068	2.2
341.24792	1.8
349.23795	16.8
351.25494	1.8
355.26239	1.4
363.26260	1.7
365.24072	1.7
367.24924	2.5
375.25864	2.0
381.31815	1.8
383.29340	1.6
403.29755	1.6
417.31436	2.5
421.30835	3.2
423.32767	2.4
435.32562	6.3
453.33502	4.7
471.34784	2.5
487.33859	1.6
495.34711	2.7
497.35840	2.4
501.35583	2.9
509.35950	4.0
511.37549	1.4
513.35693	30.5
514.36469	2.6
515.38147	7.3
525.35480	1.9
527.37256	52.4
527.45178	2.5
528.37537	3.3
531.36237	4.7
533.39734	5.1
539.37506	2.3
545.38446	10.5
551.40796	4.8
566.97211	1.5
567.40009	2.0
597.44775	1.7
607.43445	45.1
608.43878	3.2
625.44458	45.6
626.44592	4.3
635.38495	2.3
643.44543	3.4
653.40100	2.5
671.40930	4.1
689.42102	4.8
733.45789	1.9
751.46960	2.8
769.47943	5.1
787.48938	3.1
1036.11389	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	1002.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	14.8
71.70109	2.3
73.02892	4.9
77.03873	1.6
78.04792	1.3
79.05478	79.8
81.03400	21.7
81.07038	85.9
83.04956	10.3
83.08595	11.5
83.28275	1.6
85.02895	14.9
85.06535	5.1
89.40913	1.3
91.03937	5.5
91.05461	59.5
93.07021	73.1
93.54445	1.3
95.04939	17.2
95.08001	2.7
95.08588	54.0
97.02864	17.3
97.06509	63.6
97.10157	6.2
99.04422	3.9
99.08041	8.2
105.04536	1.8
105.07005	40.1
106.45118	1.3
107.04938	9.2
107.08576	39.7
109.02840	4.4
109.06493	19.6
109.10128	22.5
111.08040	7.2
113.05972	2.3
115.05440	5.4
115.07538	19.2
117.06986	20.8
119.04850	1.4
119.08551	30.8
121.06490	8.2
121.10117	26.1
123.04483	1.7
123.08053	6.0
123.11695	6.0
125.09629	2.7
127.03876	11.7
127.07517	1.5
128.06204	3.7
129.06976	12.8
131.08542	26.7
133.06499	4.3
133.10101	24.5
135.08041	10.9
135.11676	15.9
137.09587	3.9
138.37785	1.5
139.11153	2.1
141.06921	3.3
143.08583	7.3
145.04900	2.5
145.06447	3.5
145.10094	18.3
147.08023	7.2
147.11664	11.6
149.09610	7.6
149.13208	10.2
151.11200	3.1
155.08517	4.6
156.83501	1.4
157.10088	7.3
159.08080	3.1
159.11670	12.9
161.09604	7.3
161.13272	6.8
163.11156	5.0
163.14795	1.8
165.09076	1.4
165.12723	2.3
167.08537	2.5
169.10121	2.6
171.11588	7.8
173.04466	7.7
173.09595	3.2
173.13228	7.9
175.11154	4.2
177.12711	4.1
179.14333	2.5
183.11627	3.3
185.09509	1.8
185.13263	4.5
187.11142	1.7
187.14732	4.0
189.12744	2.9
195.11754	2.3
195.13820	3.1
197.13275	1.9
199.14780	3.2
201.07593	1.8
207.11726	2.0
217.15865	10.2
221.15366	1.7
227.12666	1.9
233.15263	3.3
237.16286	2.6
243.20969	3.0
245.18954	2.7
253.14227	3.6
255.17651	1.9
259.20554	5.0
261.22128	13.6
267.15900	2.2
269.17368	14.0
273.18439	32.4
275.20007	6.8
277.21707	1.7
291.19461	19.7
292.19571	1.5
307.18839	2.9
317.24994	1.9
329.21017	1.5
333.24329	2.2
335.25726	100.0
336.26016	3.2
341.84885	1.5
347.22153	15.1
349.23792	2.8
365.23126	14.8
381.28699	1.5
383.24255	4.4
391.28506	1.7
515.37299	4.1
529.38776	38.0
531.36237	2.9
543.37134	2.4
551.40369	3.8
567.40295	3.6
607.43561	10.4
625.44598	28.7
626.44250	2.4
643.45361	19.7
644.46155	1.7
769.47241	2.5
787.48633	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	1002.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83983	1.0
70.84327	1.4
71.04978	4.0
71.08611	0.9
72.62965	0.7
73.02909	2.4
77.03912	1.6
78.04655	0.8
79.05477	57.8
81.03411	4.1
81.07040	100.0
82.07380	1.4
83.04955	6.9
83.08604	14.6
85.02879	6.8
85.06521	3.6
91.03958	3.1
91.05461	64.0
92.05779	1.8
93.07027	55.1
95.04958	14.5
95.08588	40.5
96.08956	0.9
97.02867	3.3
97.06514	9.2
97.10155	4.1
99.04441	0.9
99.08070	3.8
101.05981	0.7
103.05437	2.2
105.04506	1.1
105.07009	70.8
106.07346	1.3
107.04932	11.3
107.08573	38.4
109.06496	21.0
109.07198	1.3
109.10133	17.9
111.08054	5.8
111.11684	0.8
113.05975	1.1
113.09650	0.8
115.05448	2.1
117.06997	19.8
119.04929	1.1
119.08556	58.7
120.08865	1.1
121.06511	4.2
121.10123	29.5
122.10444	0.8
123.08051	7.6
123.11682	8.3
125.09589	3.2
127.03880	2.2
127.07506	1.4
128.06212	2.9
129.05495	1.4
129.06981	13.0
130.07727	1.0
131.08543	28.9
133.06485	1.9
133.10104	40.4
134.10443	1.4
135.08046	6.6
135.10631	1.0
135.11665	18.9
137.09584	5.1
137.13232	0.8
139.11165	1.6
141.06992	2.4
142.07729	1.8
143.08530	10.2
144.09322	1.2
145.04922	1.3
145.06506	0.9
145.10085	24.6
147.08046	2.8
147.11656	45.5
148.12025	0.8
149.09592	8.5
149.13242	13.0
151.11183	3.5
155.08522	3.1
156.09329	1.1
157.10106	11.6
158.10892	0.7
159.08070	1.9
159.11665	22.0
161.09602	2.7
161.13228	22.9
161.14526	1.3
163.05986	0.7
163.11166	7.1
163.14789	3.7
165.12738	5.5
167.08456	1.3
167.14270	0.7
169.10089	4.3
171.10237	0.7
171.11665	12.3
173.09706	1.6
173.13225	12.6
175.11147	4.8
175.14790	8.6
175.16174	1.0
177.12708	4.1
177.16302	1.1
179.08476	0.7
179.14256	2.3
180.14705	0.7
183.11629	4.2
185.13245	8.7
187.11157	2.7
187.14766	4.4
189.12720	2.3
189.16411	1.8
190.04941	0.8
191.14294	1.6
193.12268	2.4
195.11789	0.9
195.13728	1.5
197.13225	3.7
199.11134	0.7
199.14813	5.1
201.12830	0.8
201.16380	2.0
203.14331	1.1
209.13304	1.1
213.12723	0.9
213.16422	2.5
215.14265	0.9
215.17950	1.6
217.15785	0.8
221.15451	1.2
229.19507	2.6
231.17514	1.1
231.21007	3.4
237.16515	0.8
239.17961	3.6
241.19484	19.4
243.21066	1.4
247.20454	3.2
257.18890	6.2
259.20526	55.5
260.20862	1.2
261.22101	1.1
267.15820	1.6
273.18384	1.2
275.20026	38.0
276.20425	2.6
277.21552	2.8
289.21582	1.3
293.21060	14.7
303.23233	1.1
315.23157	8.5
331.22870	1.3
333.24182	86.0
334.24719	2.4
335.25800	2.2
349.23715	16.9
350.24075	1.5
351.25266	5.3
367.24741	47.3
368.25235	1.6
423.27957	0.8
501.35870	1.7
513.35181	0.8
515.38239	3.1
527.36987	0.9
533.39801	6.1
543.36829	0.9
544.37152	1.0
551.40820	8.3
607.43463	22.9
608.43622	1.6
625.44507	50.6
626.45160	3.3
643.34851	1.3
643.45441	12.8
690.40790	0.9
733.46643	1.3
751.47491	1.3
769.48468	1.4
END